USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 427 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 28 THR OG1 : rot 180:sc= 0.666 USER MOD Set 1.2: A 31 GLN : amide:sc= 0.74 X(o=1.4,f=1.2) USER MOD Set 2.1: A 25 THR OG1 : rot -74:sc= 1.98 USER MOD Set 2.2: A 27 SER OG : rot -105:sc= 1.22 USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0172 X(o=-0.017,f=-0.017) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -74:sc= 1.21 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -22:sc= 0.0924 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 1.23 K(o=1.2,f=-7.2!) USER MOD Single : A 90 ASN : amide:sc= 0.273 K(o=0.27,f=-4.4!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N GLU A 13 13.363 3.359 -0.422 1.00 0.00 N ATOM 197 CA GLU A 13 13.983 3.079 -1.723 1.00 0.00 C ATOM 198 C GLU A 13 14.244 4.368 -2.518 1.00 0.00 C ATOM 199 O GLU A 13 15.313 4.527 -3.112 1.00 0.00 O ATOM 200 CB GLU A 13 13.091 2.094 -2.493 1.00 0.00 C ATOM 201 CG GLU A 13 13.736 1.622 -3.800 1.00 0.00 C ATOM 202 CD GLU A 13 12.940 0.449 -4.403 1.00 0.00 C ATOM 203 OE1 GLU A 13 11.881 0.707 -5.021 1.00 0.00 O ATOM 204 OE2 GLU A 13 13.376 -0.722 -4.262 1.00 0.00 O ATOM 0 HA GLU A 13 14.961 2.623 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.880 1.230 -1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.135 2.569 -2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.775 2.447 -4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.765 1.313 -3.614 1.00 0.00 H new ATOM 211 N VAL A 14 13.314 5.335 -2.479 1.00 0.00 N ATOM 212 CA VAL A 14 13.515 6.645 -3.130 1.00 0.00 C ATOM 213 C VAL A 14 14.529 7.516 -2.370 1.00 0.00 C ATOM 214 O VAL A 14 15.307 8.224 -3.001 1.00 0.00 O ATOM 215 CB VAL A 14 12.174 7.369 -3.372 1.00 0.00 C ATOM 216 CG1 VAL A 14 12.372 8.715 -4.076 1.00 0.00 C ATOM 217 CG2 VAL A 14 11.260 6.529 -4.280 1.00 0.00 C ATOM 0 H VAL A 14 12.416 5.238 -2.005 1.00 0.00 H new ATOM 0 HA VAL A 14 13.951 6.458 -4.111 1.00 0.00 H new ATOM 0 HB VAL A 14 11.729 7.520 -2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.404 9.192 -4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.001 9.358 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.852 8.554 -5.041 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.320 7.057 -4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.751 6.366 -5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.061 5.568 -3.807 1.00 0.00 H new ATOM 227 N ASP A 15 14.607 7.431 -1.040 1.00 0.00 N ATOM 228 CA ASP A 15 15.656 8.085 -0.244 1.00 0.00 C ATOM 229 C ASP A 15 17.054 7.518 -0.551 1.00 0.00 C ATOM 230 O ASP A 15 18.001 8.283 -0.726 1.00 0.00 O ATOM 231 CB ASP A 15 15.329 7.932 1.249 1.00 0.00 C ATOM 232 CG ASP A 15 16.429 8.544 2.132 1.00 0.00 C ATOM 233 OD1 ASP A 15 16.546 9.791 2.159 1.00 0.00 O ATOM 234 OD2 ASP A 15 17.166 7.789 2.809 1.00 0.00 O ATOM 0 H ASP A 15 13.940 6.903 -0.478 1.00 0.00 H new ATOM 0 HA ASP A 15 15.677 9.141 -0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.376 8.415 1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.213 6.876 1.491 1.00 0.00 H new ATOM 239 N GLU A 16 17.178 6.194 -0.697 1.00 0.00 N ATOM 240 CA GLU A 16 18.408 5.556 -1.180 1.00 0.00 C ATOM 241 C GLU A 16 18.770 6.008 -2.604 1.00 0.00 C ATOM 242 O GLU A 16 19.933 6.319 -2.870 1.00 0.00 O ATOM 243 CB GLU A 16 18.267 4.025 -1.102 1.00 0.00 C ATOM 244 CG GLU A 16 19.484 3.290 -1.679 1.00 0.00 C ATOM 245 CD GLU A 16 19.373 1.772 -1.438 1.00 0.00 C ATOM 246 OE1 GLU A 16 18.786 1.059 -2.284 1.00 0.00 O ATOM 247 OE2 GLU A 16 19.881 1.282 -0.399 1.00 0.00 O ATOM 0 H GLU A 16 16.429 5.535 -0.484 1.00 0.00 H new ATOM 0 HA GLU A 16 19.228 5.870 -0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.128 3.729 -0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.372 3.718 -1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.561 3.488 -2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 16 20.396 3.670 -1.218 1.00 0.00 H new ATOM 254 N ALA A 17 17.795 6.101 -3.514 1.00 0.00 N ATOM 255 CA ALA A 17 18.031 6.597 -4.867 1.00 0.00 C ATOM 256 C ALA A 17 18.490 8.072 -4.871 1.00 0.00 C ATOM 257 O ALA A 17 19.442 8.422 -5.572 1.00 0.00 O ATOM 258 CB ALA A 17 16.764 6.388 -5.705 1.00 0.00 C ATOM 0 H ALA A 17 16.827 5.836 -3.332 1.00 0.00 H new ATOM 0 HA ALA A 17 18.848 6.031 -5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.932 6.756 -6.717 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.522 5.326 -5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.935 6.934 -5.254 1.00 0.00 H new ATOM 264 N ILE A 18 17.867 8.922 -4.044 1.00 0.00 N ATOM 265 CA ILE A 18 18.265 10.326 -3.846 1.00 0.00 C ATOM 266 C ILE A 18 19.688 10.424 -3.280 1.00 0.00 C ATOM 267 O ILE A 18 20.486 11.186 -3.814 1.00 0.00 O ATOM 268 CB ILE A 18 17.210 11.053 -2.970 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.955 11.354 -3.829 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.753 12.349 -2.334 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.720 11.757 -3.014 1.00 0.00 C ATOM 0 H ILE A 18 17.059 8.651 -3.484 1.00 0.00 H new ATOM 0 HA ILE A 18 18.292 10.834 -4.810 1.00 0.00 H new ATOM 0 HB ILE A 18 16.950 10.391 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.191 12.154 -4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.714 10.472 -4.422 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.972 12.814 -1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.607 12.113 -1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.064 13.037 -3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.886 11.950 -3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.455 10.949 -2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.940 12.658 -2.442 1.00 0.00 H new ATOM 283 N ASP A 19 20.041 9.633 -2.265 1.00 0.00 N ATOM 284 CA ASP A 19 21.396 9.595 -1.701 1.00 0.00 C ATOM 285 C ASP A 19 22.449 9.093 -2.710 1.00 0.00 C ATOM 286 O ASP A 19 23.542 9.657 -2.801 1.00 0.00 O ATOM 287 CB ASP A 19 21.376 8.722 -0.444 1.00 0.00 C ATOM 288 CG ASP A 19 22.786 8.522 0.122 1.00 0.00 C ATOM 289 OD1 ASP A 19 23.294 9.424 0.828 1.00 0.00 O ATOM 290 OD2 ASP A 19 23.393 7.459 -0.154 1.00 0.00 O ATOM 0 H ASP A 19 19.391 8.995 -1.806 1.00 0.00 H new ATOM 0 HA ASP A 19 21.692 10.613 -1.447 1.00 0.00 H new ATOM 0 HB2 ASP A 19 20.741 9.185 0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 19 20.936 7.753 -0.680 1.00 0.00 H new ATOM 295 N ASN A 20 22.116 8.082 -3.521 1.00 0.00 N ATOM 296 CA ASN A 20 22.987 7.601 -4.592 1.00 0.00 C ATOM 297 C ASN A 20 23.230 8.696 -5.650 1.00 0.00 C ATOM 298 O ASN A 20 24.372 8.933 -6.038 1.00 0.00 O ATOM 299 CB ASN A 20 22.365 6.331 -5.199 1.00 0.00 C ATOM 300 CG ASN A 20 23.276 5.622 -6.195 1.00 0.00 C ATOM 301 OD1 ASN A 20 24.493 5.728 -6.170 1.00 0.00 O ATOM 302 ND2 ASN A 20 22.717 4.840 -7.093 1.00 0.00 N ATOM 0 H ASN A 20 21.233 7.576 -3.450 1.00 0.00 H new ATOM 0 HA ASN A 20 23.968 7.352 -4.187 1.00 0.00 H new ATOM 0 HB2 ASN A 20 22.112 5.640 -4.395 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.432 6.596 -5.697 1.00 0.00 H new ATOM 0 HD21 ASN A 20 23.298 4.330 -7.758 1.00 0.00 H new ATOM 0 HD22 ASN A 20 21.702 4.743 -7.124 1.00 0.00 H new ATOM 309 N ILE A 21 22.180 9.424 -6.056 1.00 0.00 N ATOM 310 CA ILE A 21 22.295 10.579 -6.966 1.00 0.00 C ATOM 311 C ILE A 21 23.121 11.709 -6.341 1.00 0.00 C ATOM 312 O ILE A 21 24.014 12.247 -6.994 1.00 0.00 O ATOM 313 CB ILE A 21 20.882 11.051 -7.397 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.303 10.062 -8.433 1.00 0.00 C ATOM 315 CG2 ILE A 21 20.936 12.476 -7.978 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.789 10.212 -8.640 1.00 0.00 C ATOM 0 H ILE A 21 21.222 9.230 -5.763 1.00 0.00 H new ATOM 0 HA ILE A 21 22.835 10.269 -7.861 1.00 0.00 H new ATOM 0 HB ILE A 21 20.233 11.073 -6.522 1.00 0.00 H new ATOM 0 HG12 ILE A 21 20.809 10.209 -9.387 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.519 9.043 -8.112 1.00 0.00 H new ATOM 0 HG21 ILE A 21 19.934 12.787 -8.274 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.321 13.162 -7.224 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.592 12.489 -8.849 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.449 9.487 -9.380 1.00 0.00 H new ATOM 0 HD12 ILE A 21 18.273 10.036 -7.696 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.568 11.220 -8.991 1.00 0.00 H new ATOM 328 N LEU A 22 22.858 12.048 -5.079 1.00 0.00 N ATOM 329 CA LEU A 22 23.549 13.102 -4.334 1.00 0.00 C ATOM 330 C LEU A 22 25.067 12.856 -4.290 1.00 0.00 C ATOM 331 O LEU A 22 25.855 13.758 -4.578 1.00 0.00 O ATOM 332 CB LEU A 22 22.910 13.119 -2.931 1.00 0.00 C ATOM 333 CG LEU A 22 23.449 14.175 -1.964 1.00 0.00 C ATOM 334 CD1 LEU A 22 23.008 15.577 -2.380 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.911 13.899 -0.559 1.00 0.00 C ATOM 0 H LEU A 22 22.136 11.583 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 22 23.437 14.074 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.837 13.272 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 22 23.047 12.137 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 22 24.538 14.123 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.405 16.307 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.384 15.795 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.919 15.630 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 22 23.294 14.650 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.822 13.940 -0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 22 23.233 12.910 -0.234 1.00 0.00 H new ATOM 347 N ARG A 23 25.478 11.610 -4.010 1.00 0.00 N ATOM 348 CA ARG A 23 26.896 11.199 -4.023 1.00 0.00 C ATOM 349 C ARG A 23 27.480 11.089 -5.435 1.00 0.00 C ATOM 350 O ARG A 23 28.588 11.571 -5.662 1.00 0.00 O ATOM 351 CB ARG A 23 27.058 9.888 -3.233 1.00 0.00 C ATOM 352 CG ARG A 23 26.867 10.110 -1.722 1.00 0.00 C ATOM 353 CD ARG A 23 27.098 8.835 -0.901 1.00 0.00 C ATOM 354 NE ARG A 23 26.038 7.835 -1.119 1.00 0.00 N ATOM 355 CZ ARG A 23 26.081 6.701 -1.789 1.00 0.00 C ATOM 356 NH1 ARG A 23 27.136 6.290 -2.435 1.00 0.00 N ATOM 357 NH2 ARG A 23 25.014 5.961 -1.801 1.00 0.00 N ATOM 0 H ARG A 23 24.837 10.855 -3.767 1.00 0.00 H new ATOM 0 HA ARG A 23 27.473 11.985 -3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.332 9.156 -3.588 1.00 0.00 H new ATOM 0 HB3 ARG A 23 28.048 9.471 -3.418 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.555 10.885 -1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 23 25.857 10.478 -1.538 1.00 0.00 H new ATOM 0 HD2 ARG A 23 28.063 8.403 -1.167 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.143 9.090 0.158 1.00 0.00 H new ATOM 0 HE ARG A 23 25.139 8.052 -0.688 1.00 0.00 H new ATOM 0 HH11 ARG A 23 27.985 6.856 -2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 23 27.113 5.403 -2.937 1.00 0.00 H new ATOM 0 HH21 ARG A 23 24.178 6.264 -1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 23 25.012 5.077 -2.310 1.00 0.00 H new ATOM 371 N TYR A 24 26.738 10.540 -6.403 1.00 0.00 N ATOM 372 CA TYR A 24 27.172 10.420 -7.808 1.00 0.00 C ATOM 373 C TYR A 24 27.432 11.785 -8.473 1.00 0.00 C ATOM 374 O TYR A 24 28.431 11.961 -9.172 1.00 0.00 O ATOM 375 CB TYR A 24 26.095 9.641 -8.579 1.00 0.00 C ATOM 376 CG TYR A 24 26.303 9.552 -10.081 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.421 8.865 -10.601 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.372 10.148 -10.958 1.00 0.00 C ATOM 379 CE1 TYR A 24 27.610 8.779 -11.994 1.00 0.00 C ATOM 380 CE2 TYR A 24 25.555 10.052 -12.349 1.00 0.00 C ATOM 381 CZ TYR A 24 26.678 9.376 -12.873 1.00 0.00 C ATOM 382 OH TYR A 24 26.849 9.294 -14.225 1.00 0.00 O ATOM 0 H TYR A 24 25.806 10.160 -6.235 1.00 0.00 H new ATOM 0 HA TYR A 24 28.124 9.889 -7.830 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.044 8.629 -8.176 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.128 10.108 -8.390 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.132 8.405 -9.930 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.519 10.678 -10.561 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.468 8.256 -12.391 1.00 0.00 H new ATOM 0 HE2 TYR A 24 24.834 10.497 -13.019 1.00 0.00 H new ATOM 0 HH TYR A 24 26.114 9.759 -14.677 1.00 0.00 H new ATOM 392 N THR A 25 26.572 12.774 -8.202 1.00 0.00 N ATOM 393 CA THR A 25 26.745 14.166 -8.668 1.00 0.00 C ATOM 394 C THR A 25 27.715 14.987 -7.806 1.00 0.00 C ATOM 395 O THR A 25 28.064 16.106 -8.182 1.00 0.00 O ATOM 396 CB THR A 25 25.402 14.908 -8.738 1.00 0.00 C ATOM 397 OG1 THR A 25 24.784 14.923 -7.474 1.00 0.00 O ATOM 398 CG2 THR A 25 24.417 14.296 -9.725 1.00 0.00 C ATOM 0 H THR A 25 25.727 12.635 -7.648 1.00 0.00 H new ATOM 0 HA THR A 25 27.176 14.075 -9.665 1.00 0.00 H new ATOM 0 HB THR A 25 25.646 15.914 -9.078 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.418 14.035 -7.278 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.492 14.872 -9.720 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.849 14.310 -10.726 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.205 13.267 -9.436 1.00 0.00 H new ATOM 406 N ASN A 26 28.148 14.450 -6.656 1.00 0.00 N ATOM 407 CA ASN A 26 28.964 15.137 -5.643 1.00 0.00 C ATOM 408 C ASN A 26 28.362 16.490 -5.188 1.00 0.00 C ATOM 409 O ASN A 26 29.080 17.450 -4.904 1.00 0.00 O ATOM 410 CB ASN A 26 30.435 15.170 -6.121 1.00 0.00 C ATOM 411 CG ASN A 26 31.422 15.481 -5.006 1.00 0.00 C ATOM 412 OD1 ASN A 26 32.057 16.526 -4.968 1.00 0.00 O ATOM 413 ND2 ASN A 26 31.612 14.573 -4.073 1.00 0.00 N ATOM 0 H ASN A 26 27.931 13.488 -6.396 1.00 0.00 H new ATOM 0 HA ASN A 26 28.954 14.571 -4.711 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.688 14.206 -6.563 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.538 15.918 -6.907 1.00 0.00 H new ATOM 0 HD21 ASN A 26 32.285 14.743 -3.325 1.00 0.00 H new ATOM 0 HD22 ASN A 26 31.087 13.699 -4.097 1.00 0.00 H new ATOM 420 N SER A 27 27.026 16.565 -5.150 1.00 0.00 N ATOM 421 CA SER A 27 26.268 17.794 -4.870 1.00 0.00 C ATOM 422 C SER A 27 25.764 17.877 -3.418 1.00 0.00 C ATOM 423 O SER A 27 25.902 16.933 -2.634 1.00 0.00 O ATOM 424 CB SER A 27 25.113 17.916 -5.876 1.00 0.00 C ATOM 425 OG SER A 27 24.164 16.887 -5.694 1.00 0.00 O ATOM 0 H SER A 27 26.427 15.756 -5.316 1.00 0.00 H new ATOM 0 HA SER A 27 26.946 18.639 -4.988 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.628 18.885 -5.761 1.00 0.00 H new ATOM 0 HB3 SER A 27 25.507 17.875 -6.892 1.00 0.00 H new ATOM 0 HG SER A 27 24.259 16.224 -6.409 1.00 0.00 H new ATOM 431 N THR A 28 25.188 19.029 -3.058 1.00 0.00 N ATOM 432 CA THR A 28 24.428 19.215 -1.805 1.00 0.00 C ATOM 433 C THR A 28 22.930 19.103 -2.074 1.00 0.00 C ATOM 434 O THR A 28 22.462 19.332 -3.189 1.00 0.00 O ATOM 435 CB THR A 28 24.729 20.562 -1.140 1.00 0.00 C ATOM 436 OG1 THR A 28 24.411 21.616 -2.027 1.00 0.00 O ATOM 437 CG2 THR A 28 26.197 20.722 -0.759 1.00 0.00 C ATOM 0 H THR A 28 25.234 19.872 -3.631 1.00 0.00 H new ATOM 0 HA THR A 28 24.742 18.427 -1.121 1.00 0.00 H new ATOM 0 HB THR A 28 24.125 20.594 -0.234 1.00 0.00 H new ATOM 0 HG1 THR A 28 24.604 22.475 -1.597 1.00 0.00 H new ATOM 0 HG21 THR A 28 26.348 21.696 -0.292 1.00 0.00 H new ATOM 0 HG22 THR A 28 26.479 19.936 -0.058 1.00 0.00 H new ATOM 0 HG23 THR A 28 26.815 20.649 -1.654 1.00 0.00 H new ATOM 445 N GLU A 29 22.140 18.801 -1.046 1.00 0.00 N ATOM 446 CA GLU A 29 20.686 18.624 -1.169 1.00 0.00 C ATOM 447 C GLU A 29 19.983 19.901 -1.656 1.00 0.00 C ATOM 448 O GLU A 29 19.038 19.830 -2.441 1.00 0.00 O ATOM 449 CB GLU A 29 20.102 18.163 0.179 1.00 0.00 C ATOM 450 CG GLU A 29 20.718 16.869 0.736 1.00 0.00 C ATOM 451 CD GLU A 29 21.850 17.129 1.757 1.00 0.00 C ATOM 452 OE1 GLU A 29 22.905 17.700 1.386 1.00 0.00 O ATOM 453 OE2 GLU A 29 21.685 16.765 2.947 1.00 0.00 O ATOM 0 H GLU A 29 22.488 18.670 -0.096 1.00 0.00 H new ATOM 0 HA GLU A 29 20.507 17.858 -1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 29 20.239 18.959 0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 29 19.028 18.018 0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 29 19.936 16.277 1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 29 21.110 16.275 -0.090 1.00 0.00 H new ATOM 460 N GLN A 30 20.491 21.080 -1.268 1.00 0.00 N ATOM 461 CA GLN A 30 20.000 22.375 -1.764 1.00 0.00 C ATOM 462 C GLN A 30 20.321 22.583 -3.254 1.00 0.00 C ATOM 463 O GLN A 30 19.467 23.058 -3.999 1.00 0.00 O ATOM 464 CB GLN A 30 20.577 23.517 -0.911 1.00 0.00 C ATOM 465 CG GLN A 30 20.094 23.461 0.550 1.00 0.00 C ATOM 466 CD GLN A 30 20.594 24.627 1.410 1.00 0.00 C ATOM 467 OE1 GLN A 30 21.318 25.516 0.976 1.00 0.00 O ATOM 468 NE2 GLN A 30 20.228 24.673 2.676 1.00 0.00 N ATOM 0 H GLN A 30 21.257 21.163 -0.599 1.00 0.00 H new ATOM 0 HA GLN A 30 18.914 22.378 -1.673 1.00 0.00 H new ATOM 0 HB2 GLN A 30 21.666 23.469 -0.933 1.00 0.00 H new ATOM 0 HB3 GLN A 30 20.292 24.474 -1.349 1.00 0.00 H new ATOM 0 HG2 GLN A 30 19.004 23.453 0.563 1.00 0.00 H new ATOM 0 HG3 GLN A 30 20.425 22.524 0.997 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.626 23.944 3.060 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.547 25.437 3.272 1.00 0.00 H new ATOM 477 N GLN A 31 21.507 22.170 -3.718 1.00 0.00 N ATOM 478 CA GLN A 31 21.853 22.213 -5.148 1.00 0.00 C ATOM 479 C GLN A 31 21.044 21.199 -5.966 1.00 0.00 C ATOM 480 O GLN A 31 20.615 21.519 -7.070 1.00 0.00 O ATOM 481 CB GLN A 31 23.361 21.987 -5.346 1.00 0.00 C ATOM 482 CG GLN A 31 24.186 23.218 -4.936 1.00 0.00 C ATOM 483 CD GLN A 31 25.684 22.961 -5.080 1.00 0.00 C ATOM 484 OE1 GLN A 31 26.306 23.291 -6.082 1.00 0.00 O ATOM 485 NE2 GLN A 31 26.318 22.349 -4.105 1.00 0.00 N ATOM 0 H GLN A 31 22.248 21.800 -3.122 1.00 0.00 H new ATOM 0 HA GLN A 31 21.594 23.206 -5.515 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.679 21.125 -4.759 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.558 21.750 -6.392 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.901 24.070 -5.553 1.00 0.00 H new ATOM 0 HG3 GLN A 31 23.959 23.482 -3.903 1.00 0.00 H new ATOM 0 HE21 GLN A 31 25.812 22.069 -3.265 1.00 0.00 H new ATOM 0 HE22 GLN A 31 27.316 22.154 -4.189 1.00 0.00 H new ATOM 494 N PHE A 32 20.760 20.005 -5.430 1.00 0.00 N ATOM 495 CA PHE A 32 19.895 19.027 -6.105 1.00 0.00 C ATOM 496 C PHE A 32 18.431 19.507 -6.169 1.00 0.00 C ATOM 497 O PHE A 32 17.804 19.406 -7.222 1.00 0.00 O ATOM 498 CB PHE A 32 20.069 17.645 -5.454 1.00 0.00 C ATOM 499 CG PHE A 32 19.370 16.460 -6.115 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.945 16.484 -7.462 1.00 0.00 C ATOM 501 CD2 PHE A 32 19.169 15.287 -5.359 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.277 15.380 -8.019 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.513 14.180 -5.922 1.00 0.00 C ATOM 504 CZ PHE A 32 18.046 14.232 -7.244 1.00 0.00 C ATOM 0 H PHE A 32 21.118 19.692 -4.528 1.00 0.00 H new ATOM 0 HA PHE A 32 20.202 18.931 -7.147 1.00 0.00 H new ATOM 0 HB2 PHE A 32 21.136 17.425 -5.412 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.717 17.712 -4.425 1.00 0.00 H new ATOM 0 HD1 PHE A 32 19.135 17.357 -8.068 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.522 15.239 -4.339 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.941 15.415 -9.045 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.367 13.285 -5.335 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.511 13.393 -7.664 1.00 0.00 H new ATOM 514 N LEU A 33 17.914 20.137 -5.106 1.00 0.00 N ATOM 515 CA LEU A 33 16.611 20.822 -5.129 1.00 0.00 C ATOM 516 C LEU A 33 16.569 21.926 -6.190 1.00 0.00 C ATOM 517 O LEU A 33 15.662 21.943 -7.021 1.00 0.00 O ATOM 518 CB LEU A 33 16.290 21.307 -3.698 1.00 0.00 C ATOM 519 CG LEU A 33 14.935 21.995 -3.426 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.838 23.427 -3.952 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.751 21.187 -3.957 1.00 0.00 C ATOM 0 H LEU A 33 18.387 20.187 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 33 15.823 20.132 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.360 20.445 -3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.077 22.001 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 33 14.885 22.042 -2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.854 23.835 -3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.606 24.040 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.984 23.429 -5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.823 21.716 -3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.852 21.059 -5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.733 20.209 -3.476 1.00 0.00 H new ATOM 533 N GLU A 34 17.579 22.790 -6.227 1.00 0.00 N ATOM 534 CA GLU A 34 17.677 23.861 -7.228 1.00 0.00 C ATOM 535 C GLU A 34 17.753 23.324 -8.667 1.00 0.00 C ATOM 536 O GLU A 34 17.061 23.828 -9.548 1.00 0.00 O ATOM 537 CB GLU A 34 18.869 24.770 -6.889 1.00 0.00 C ATOM 538 CG GLU A 34 18.953 26.000 -7.803 1.00 0.00 C ATOM 539 CD GLU A 34 20.076 26.950 -7.340 1.00 0.00 C ATOM 540 OE1 GLU A 34 21.251 26.748 -7.732 1.00 0.00 O ATOM 541 OE2 GLU A 34 19.791 27.913 -6.584 1.00 0.00 O ATOM 0 H GLU A 34 18.356 22.772 -5.566 1.00 0.00 H new ATOM 0 HA GLU A 34 16.760 24.449 -7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.788 25.097 -5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.793 24.197 -6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 34 19.138 25.684 -8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.999 26.528 -7.799 1.00 0.00 H new ATOM 548 N ALA A 35 18.516 22.254 -8.897 1.00 0.00 N ATOM 549 CA ALA A 35 18.606 21.596 -10.200 1.00 0.00 C ATOM 550 C ALA A 35 17.275 20.940 -10.617 1.00 0.00 C ATOM 551 O ALA A 35 16.872 21.050 -11.773 1.00 0.00 O ATOM 552 CB ALA A 35 19.758 20.581 -10.157 1.00 0.00 C ATOM 0 H ALA A 35 19.093 21.817 -8.178 1.00 0.00 H new ATOM 0 HA ALA A 35 18.812 22.346 -10.964 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.839 20.081 -11.122 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.692 21.099 -9.938 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.563 19.841 -9.381 1.00 0.00 H new ATOM 558 N MET A 36 16.552 20.308 -9.688 1.00 0.00 N ATOM 559 CA MET A 36 15.219 19.743 -9.958 1.00 0.00 C ATOM 560 C MET A 36 14.181 20.835 -10.244 1.00 0.00 C ATOM 561 O MET A 36 13.451 20.724 -11.223 1.00 0.00 O ATOM 562 CB MET A 36 14.794 18.842 -8.784 1.00 0.00 C ATOM 563 CG MET A 36 15.583 17.525 -8.764 1.00 0.00 C ATOM 564 SD MET A 36 15.167 16.367 -10.101 1.00 0.00 S ATOM 565 CE MET A 36 13.684 15.583 -9.413 1.00 0.00 C ATOM 0 H MET A 36 16.870 20.172 -8.728 1.00 0.00 H new ATOM 0 HA MET A 36 15.276 19.136 -10.861 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.947 19.372 -7.844 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.728 18.627 -8.858 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.647 17.754 -8.819 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.413 17.030 -7.808 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.304 14.843 -10.117 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.934 15.094 -8.472 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.921 16.341 -9.236 1.00 0.00 H new ATOM 575 N GLU A 37 14.152 21.927 -9.478 1.00 0.00 N ATOM 576 CA GLU A 37 13.234 23.049 -9.724 1.00 0.00 C ATOM 577 C GLU A 37 13.556 23.791 -11.037 1.00 0.00 C ATOM 578 O GLU A 37 12.643 24.155 -11.779 1.00 0.00 O ATOM 579 CB GLU A 37 13.270 24.020 -8.530 1.00 0.00 C ATOM 580 CG GLU A 37 12.604 23.464 -7.259 1.00 0.00 C ATOM 581 CD GLU A 37 11.084 23.232 -7.398 1.00 0.00 C ATOM 582 OE1 GLU A 37 10.394 24.008 -8.104 1.00 0.00 O ATOM 583 OE2 GLU A 37 10.547 22.296 -6.756 1.00 0.00 O ATOM 0 H GLU A 37 14.761 22.062 -8.671 1.00 0.00 H new ATOM 0 HA GLU A 37 12.229 22.640 -9.831 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.308 24.269 -8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.774 24.948 -8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.082 22.521 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.782 24.155 -6.435 1.00 0.00 H new ATOM 590 N SER A 38 14.841 23.949 -11.375 1.00 0.00 N ATOM 591 CA SER A 38 15.300 24.596 -12.620 1.00 0.00 C ATOM 592 C SER A 38 15.038 23.753 -13.881 1.00 0.00 C ATOM 593 O SER A 38 14.813 24.300 -14.962 1.00 0.00 O ATOM 594 CB SER A 38 16.796 24.915 -12.483 1.00 0.00 C ATOM 595 OG SER A 38 17.265 25.687 -13.580 1.00 0.00 O ATOM 0 H SER A 38 15.608 23.627 -10.784 1.00 0.00 H new ATOM 0 HA SER A 38 14.721 25.510 -12.753 1.00 0.00 H new ATOM 0 HB2 SER A 38 16.970 25.458 -11.554 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.363 23.986 -12.421 1.00 0.00 H new ATOM 0 HG SER A 38 18.220 25.875 -13.463 1.00 0.00 H new ATOM 601 N THR A 39 14.986 22.420 -13.745 1.00 0.00 N ATOM 602 CA THR A 39 14.708 21.485 -14.862 1.00 0.00 C ATOM 603 C THR A 39 13.248 21.013 -14.928 1.00 0.00 C ATOM 604 O THR A 39 12.881 20.269 -15.837 1.00 0.00 O ATOM 605 CB THR A 39 15.654 20.274 -14.837 1.00 0.00 C ATOM 606 OG1 THR A 39 15.522 19.582 -13.619 1.00 0.00 O ATOM 607 CG2 THR A 39 17.118 20.680 -15.002 1.00 0.00 C ATOM 0 H THR A 39 15.136 21.950 -12.852 1.00 0.00 H new ATOM 0 HA THR A 39 14.892 22.064 -15.767 1.00 0.00 H new ATOM 0 HB THR A 39 15.373 19.638 -15.676 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.954 20.094 -12.903 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.747 19.790 -14.978 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.249 21.191 -15.956 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.404 21.349 -14.190 1.00 0.00 H new ATOM 615 N GLY A 40 12.395 21.429 -13.979 1.00 0.00 N ATOM 616 CA GLY A 40 10.988 21.000 -13.916 1.00 0.00 C ATOM 617 C GLY A 40 10.803 19.546 -13.458 1.00 0.00 C ATOM 618 O GLY A 40 9.808 18.916 -13.810 1.00 0.00 O ATOM 0 H GLY A 40 12.661 22.072 -13.233 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.448 21.657 -13.235 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.537 21.121 -14.901 1.00 0.00 H new ATOM 622 N GLY A 41 11.767 19.001 -12.704 1.00 0.00 N ATOM 623 CA GLY A 41 11.728 17.639 -12.153 1.00 0.00 C ATOM 624 C GLY A 41 12.255 16.529 -13.065 1.00 0.00 C ATOM 625 O GLY A 41 12.155 15.357 -12.709 1.00 0.00 O ATOM 0 H GLY A 41 12.617 19.507 -12.454 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.305 17.626 -11.228 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.697 17.405 -11.889 1.00 0.00 H new ATOM 629 N ARG A 42 12.841 16.870 -14.223 1.00 0.00 N ATOM 630 CA ARG A 42 13.513 15.898 -15.109 1.00 0.00 C ATOM 631 C ARG A 42 14.854 15.484 -14.501 1.00 0.00 C ATOM 632 O ARG A 42 15.887 16.074 -14.797 1.00 0.00 O ATOM 633 CB ARG A 42 13.654 16.510 -16.526 1.00 0.00 C ATOM 634 CG ARG A 42 12.421 16.242 -17.406 1.00 0.00 C ATOM 635 CD ARG A 42 12.438 14.820 -17.994 1.00 0.00 C ATOM 636 NE ARG A 42 11.256 14.571 -18.848 1.00 0.00 N ATOM 637 CZ ARG A 42 11.098 14.848 -20.134 1.00 0.00 C ATOM 638 NH1 ARG A 42 12.005 15.464 -20.836 1.00 0.00 N ATOM 639 NH2 ARG A 42 10.008 14.495 -20.752 1.00 0.00 N ATOM 0 H ARG A 42 12.864 17.827 -14.575 1.00 0.00 H new ATOM 0 HA ARG A 42 12.918 14.990 -15.206 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.809 17.586 -16.440 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.539 16.098 -17.010 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.516 16.380 -16.815 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.387 16.970 -18.216 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.347 14.678 -18.579 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.463 14.091 -17.184 1.00 0.00 H new ATOM 0 HE ARG A 42 10.460 14.129 -18.388 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.879 15.754 -20.398 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.841 15.657 -21.824 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.271 14.003 -20.246 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.891 14.710 -21.742 1.00 0.00 H new ATOM 653 N VAL A 43 14.845 14.433 -13.679 1.00 0.00 N ATOM 654 CA VAL A 43 16.016 14.002 -12.879 1.00 0.00 C ATOM 655 C VAL A 43 17.256 13.717 -13.736 1.00 0.00 C ATOM 656 O VAL A 43 18.348 14.125 -13.354 1.00 0.00 O ATOM 657 CB VAL A 43 15.639 12.846 -11.925 1.00 0.00 C ATOM 658 CG1 VAL A 43 15.320 11.528 -12.641 1.00 0.00 C ATOM 659 CG2 VAL A 43 16.728 12.600 -10.878 1.00 0.00 C ATOM 0 H VAL A 43 14.023 13.845 -13.542 1.00 0.00 H new ATOM 0 HA VAL A 43 16.311 14.842 -12.250 1.00 0.00 H new ATOM 0 HB VAL A 43 14.724 13.179 -11.435 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.065 10.766 -11.904 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.478 11.676 -13.317 1.00 0.00 H new ATOM 0 HG13 VAL A 43 16.190 11.204 -13.212 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.427 11.780 -10.226 1.00 0.00 H new ATOM 0 HG22 VAL A 43 17.662 12.342 -11.378 1.00 0.00 H new ATOM 0 HG23 VAL A 43 16.872 13.502 -10.284 1.00 0.00 H new ATOM 669 N ARG A 44 17.098 13.177 -14.953 1.00 0.00 N ATOM 670 CA ARG A 44 18.217 12.990 -15.907 1.00 0.00 C ATOM 671 C ARG A 44 18.901 14.309 -16.311 1.00 0.00 C ATOM 672 O ARG A 44 20.126 14.395 -16.318 1.00 0.00 O ATOM 673 CB ARG A 44 17.754 12.140 -17.109 1.00 0.00 C ATOM 674 CG ARG A 44 16.732 12.803 -18.057 1.00 0.00 C ATOM 675 CD ARG A 44 16.227 11.828 -19.133 1.00 0.00 C ATOM 676 NE ARG A 44 17.293 11.425 -20.077 1.00 0.00 N ATOM 677 CZ ARG A 44 17.238 10.451 -20.972 1.00 0.00 C ATOM 678 NH1 ARG A 44 16.176 9.711 -21.128 1.00 0.00 N ATOM 679 NH2 ARG A 44 18.259 10.205 -21.739 1.00 0.00 N ATOM 0 H ARG A 44 16.197 12.857 -15.309 1.00 0.00 H new ATOM 0 HA ARG A 44 19.003 12.434 -15.395 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.633 11.863 -17.692 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.319 11.216 -16.728 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.886 13.172 -17.477 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.191 13.667 -18.537 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.818 10.940 -18.651 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.412 12.294 -19.687 1.00 0.00 H new ATOM 0 HE ARG A 44 18.164 11.955 -20.033 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.351 9.874 -20.550 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.170 8.969 -21.828 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.108 10.764 -21.653 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.211 9.453 -22.427 1.00 0.00 H new ATOM 693 N ILE A 45 18.109 15.365 -16.532 1.00 0.00 N ATOM 694 CA ILE A 45 18.632 16.708 -16.849 1.00 0.00 C ATOM 695 C ILE A 45 19.222 17.349 -15.589 1.00 0.00 C ATOM 696 O ILE A 45 20.253 18.000 -15.667 1.00 0.00 O ATOM 697 CB ILE A 45 17.572 17.611 -17.535 1.00 0.00 C ATOM 698 CG1 ILE A 45 16.945 16.906 -18.764 1.00 0.00 C ATOM 699 CG2 ILE A 45 18.219 18.946 -17.979 1.00 0.00 C ATOM 700 CD1 ILE A 45 15.861 17.719 -19.490 1.00 0.00 C ATOM 0 H ILE A 45 17.091 15.318 -16.497 1.00 0.00 H new ATOM 0 HA ILE A 45 19.433 16.597 -17.580 1.00 0.00 H new ATOM 0 HB ILE A 45 16.782 17.809 -16.811 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.738 16.670 -19.473 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.513 15.959 -18.441 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.467 19.573 -18.459 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.620 19.464 -17.108 1.00 0.00 H new ATOM 0 HG23 ILE A 45 19.026 18.743 -18.683 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.481 17.145 -20.335 1.00 0.00 H new ATOM 0 HD12 ILE A 45 15.044 17.934 -18.801 1.00 0.00 H new ATOM 0 HD13 ILE A 45 16.288 18.655 -19.849 1.00 0.00 H new ATOM 712 N ALA A 46 18.633 17.123 -14.410 1.00 0.00 N ATOM 713 CA ALA A 46 19.150 17.653 -13.145 1.00 0.00 C ATOM 714 C ALA A 46 20.536 17.072 -12.807 1.00 0.00 C ATOM 715 O ALA A 46 21.469 17.831 -12.540 1.00 0.00 O ATOM 716 CB ALA A 46 18.123 17.388 -12.035 1.00 0.00 C ATOM 0 H ALA A 46 17.784 16.567 -14.306 1.00 0.00 H new ATOM 0 HA ALA A 46 19.294 18.729 -13.239 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.500 17.779 -11.090 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.183 17.881 -12.283 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.956 16.315 -11.943 1.00 0.00 H new ATOM 722 N ILE A 47 20.721 15.749 -12.914 1.00 0.00 N ATOM 723 CA ILE A 47 22.038 15.122 -12.696 1.00 0.00 C ATOM 724 C ILE A 47 23.030 15.508 -13.801 1.00 0.00 C ATOM 725 O ILE A 47 24.173 15.826 -13.488 1.00 0.00 O ATOM 726 CB ILE A 47 21.949 13.597 -12.451 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.544 12.785 -13.697 1.00 0.00 C ATOM 728 CG2 ILE A 47 21.001 13.340 -11.267 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.428 11.273 -13.463 1.00 0.00 C ATOM 0 H ILE A 47 19.978 15.091 -13.150 1.00 0.00 H new ATOM 0 HA ILE A 47 22.436 15.527 -11.766 1.00 0.00 H new ATOM 0 HB ILE A 47 22.951 13.241 -12.211 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.587 13.158 -14.062 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.277 12.963 -14.484 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.930 12.268 -11.084 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.388 13.835 -10.377 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.012 13.735 -11.500 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.139 10.782 -14.392 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.389 10.882 -13.129 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.673 11.080 -12.701 1.00 0.00 H new ATOM 741 N ALA A 48 22.586 15.616 -15.063 1.00 0.00 N ATOM 742 CA ALA A 48 23.411 16.158 -16.146 1.00 0.00 C ATOM 743 C ALA A 48 23.875 17.603 -15.872 1.00 0.00 C ATOM 744 O ALA A 48 25.051 17.914 -16.047 1.00 0.00 O ATOM 745 CB ALA A 48 22.605 16.060 -17.447 1.00 0.00 C ATOM 0 H ALA A 48 21.652 15.331 -15.357 1.00 0.00 H new ATOM 0 HA ALA A 48 24.327 15.573 -16.226 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.196 16.457 -18.272 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.360 15.017 -17.646 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.685 16.636 -17.349 1.00 0.00 H new ATOM 751 N LYS A 49 22.990 18.472 -15.364 1.00 0.00 N ATOM 752 CA LYS A 49 23.291 19.881 -15.047 1.00 0.00 C ATOM 753 C LYS A 49 24.274 20.013 -13.874 1.00 0.00 C ATOM 754 O LYS A 49 25.197 20.820 -13.937 1.00 0.00 O ATOM 755 CB LYS A 49 21.953 20.604 -14.764 1.00 0.00 C ATOM 756 CG LYS A 49 22.046 22.142 -14.710 1.00 0.00 C ATOM 757 CD LYS A 49 22.289 22.821 -16.071 1.00 0.00 C ATOM 758 CE LYS A 49 21.109 22.655 -17.047 1.00 0.00 C ATOM 759 NZ LYS A 49 21.340 23.407 -18.315 1.00 0.00 N ATOM 0 H LYS A 49 22.025 18.213 -15.157 1.00 0.00 H new ATOM 0 HA LYS A 49 23.789 20.348 -15.897 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.235 20.325 -15.535 1.00 0.00 H new ATOM 0 HB3 LYS A 49 21.556 20.245 -13.814 1.00 0.00 H new ATOM 0 HG2 LYS A 49 21.122 22.533 -14.284 1.00 0.00 H new ATOM 0 HG3 LYS A 49 22.853 22.420 -14.032 1.00 0.00 H new ATOM 0 HD2 LYS A 49 22.475 23.883 -15.913 1.00 0.00 H new ATOM 0 HD3 LYS A 49 23.189 22.404 -16.523 1.00 0.00 H new ATOM 0 HE2 LYS A 49 20.966 21.598 -17.270 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.192 23.008 -16.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.527 23.274 -18.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 21.452 24.419 -18.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 22.202 23.052 -18.777 1.00 0.00 H new ATOM 773 N LEU A 50 24.128 19.167 -12.850 1.00 0.00 N ATOM 774 CA LEU A 50 25.062 19.098 -11.712 1.00 0.00 C ATOM 775 C LEU A 50 26.447 18.557 -12.121 1.00 0.00 C ATOM 776 O LEU A 50 27.465 19.067 -11.658 1.00 0.00 O ATOM 777 CB LEU A 50 24.450 18.222 -10.600 1.00 0.00 C ATOM 778 CG LEU A 50 23.221 18.823 -9.898 1.00 0.00 C ATOM 779 CD1 LEU A 50 22.530 17.747 -9.066 1.00 0.00 C ATOM 780 CD2 LEU A 50 23.603 19.979 -8.972 1.00 0.00 C ATOM 0 H LEU A 50 23.355 18.505 -12.783 1.00 0.00 H new ATOM 0 HA LEU A 50 25.216 20.112 -11.344 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.169 17.260 -11.030 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.217 18.025 -9.851 1.00 0.00 H new ATOM 0 HG LEU A 50 22.555 19.203 -10.673 1.00 0.00 H new ATOM 0 HD11 LEU A 50 21.659 18.175 -8.569 1.00 0.00 H new ATOM 0 HD12 LEU A 50 22.213 16.932 -9.716 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.224 17.365 -8.317 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.706 20.375 -8.496 1.00 0.00 H new ATOM 0 HD22 LEU A 50 24.292 19.620 -8.207 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.084 20.766 -9.552 1.00 0.00 H new ATOM 792 N LEU A 51 26.502 17.563 -13.016 1.00 0.00 N ATOM 793 CA LEU A 51 27.764 17.028 -13.557 1.00 0.00 C ATOM 794 C LEU A 51 28.454 17.999 -14.538 1.00 0.00 C ATOM 795 O LEU A 51 29.684 18.041 -14.599 1.00 0.00 O ATOM 796 CB LEU A 51 27.492 15.671 -14.228 1.00 0.00 C ATOM 797 CG LEU A 51 27.152 14.530 -13.246 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.624 13.322 -14.019 1.00 0.00 C ATOM 799 CD2 LEU A 51 28.369 14.081 -12.432 1.00 0.00 C ATOM 0 H LEU A 51 25.671 17.103 -13.389 1.00 0.00 H new ATOM 0 HA LEU A 51 28.456 16.898 -12.725 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.667 15.786 -14.931 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.369 15.385 -14.809 1.00 0.00 H new ATOM 0 HG LEU A 51 26.399 14.917 -12.559 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.386 12.519 -13.321 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.725 13.605 -14.567 1.00 0.00 H new ATOM 0 HD13 LEU A 51 27.384 12.979 -14.721 1.00 0.00 H new ATOM 0 HD21 LEU A 51 28.078 13.277 -11.756 1.00 0.00 H new ATOM 0 HD22 LEU A 51 29.147 13.724 -13.107 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.750 14.922 -11.853 1.00 0.00 H new ATOM 1252 N SER A 85 9.262 10.157 -12.285 1.00 0.00 N ATOM 1253 CA SER A 85 9.925 11.454 -12.081 1.00 0.00 C ATOM 1254 C SER A 85 9.081 12.436 -11.255 1.00 0.00 C ATOM 1255 O SER A 85 9.647 13.183 -10.454 1.00 0.00 O ATOM 1256 CB SER A 85 10.350 12.062 -13.420 1.00 0.00 C ATOM 1257 OG SER A 85 9.262 12.147 -14.315 1.00 0.00 O ATOM 0 HA SER A 85 10.821 11.262 -11.491 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.766 13.056 -13.255 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.140 11.456 -13.862 1.00 0.00 H new ATOM 0 HG SER A 85 8.569 11.507 -14.049 1.00 0.00 H new ATOM 1263 N GLN A 86 7.743 12.381 -11.339 1.00 0.00 N ATOM 1264 CA GLN A 86 6.859 13.111 -10.414 1.00 0.00 C ATOM 1265 C GLN A 86 7.009 12.613 -8.969 1.00 0.00 C ATOM 1266 O GLN A 86 7.121 13.432 -8.058 1.00 0.00 O ATOM 1267 CB GLN A 86 5.390 12.981 -10.852 1.00 0.00 C ATOM 1268 CG GLN A 86 5.038 13.873 -12.047 1.00 0.00 C ATOM 1269 CD GLN A 86 3.619 13.592 -12.535 1.00 0.00 C ATOM 1270 OE1 GLN A 86 2.654 14.243 -12.153 1.00 0.00 O ATOM 1271 NE2 GLN A 86 3.431 12.577 -13.348 1.00 0.00 N ATOM 0 H GLN A 86 7.246 11.835 -12.043 1.00 0.00 H new ATOM 0 HA GLN A 86 7.157 14.159 -10.447 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.184 11.942 -11.109 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.743 13.236 -10.013 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.129 14.921 -11.763 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.747 13.700 -12.857 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.228 12.029 -13.672 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.488 12.337 -13.655 1.00 0.00 H new ATOM 1280 N GLN A 87 7.076 11.298 -8.743 1.00 0.00 N ATOM 1281 CA GLN A 87 7.328 10.732 -7.411 1.00 0.00 C ATOM 1282 C GLN A 87 8.736 11.061 -6.886 1.00 0.00 C ATOM 1283 O GLN A 87 8.856 11.422 -5.717 1.00 0.00 O ATOM 1284 CB GLN A 87 7.054 9.214 -7.409 1.00 0.00 C ATOM 1285 CG GLN A 87 5.553 8.865 -7.516 1.00 0.00 C ATOM 1286 CD GLN A 87 4.736 9.208 -6.269 1.00 0.00 C ATOM 1287 OE1 GLN A 87 5.254 9.578 -5.220 1.00 0.00 O ATOM 1288 NE2 GLN A 87 3.429 9.089 -6.318 1.00 0.00 N ATOM 0 H GLN A 87 6.958 10.596 -9.474 1.00 0.00 H new ATOM 0 HA GLN A 87 6.632 11.205 -6.718 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.587 8.754 -8.241 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.457 8.780 -6.494 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.129 9.393 -8.370 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.454 7.799 -7.719 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.977 8.783 -7.180 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.866 9.303 -5.495 1.00 0.00 H new ATOM 1297 N ILE A 88 9.778 11.043 -7.733 1.00 0.00 N ATOM 1298 CA ILE A 88 11.128 11.502 -7.343 1.00 0.00 C ATOM 1299 C ILE A 88 11.086 12.978 -6.940 1.00 0.00 C ATOM 1300 O ILE A 88 11.551 13.314 -5.855 1.00 0.00 O ATOM 1301 CB ILE A 88 12.197 11.276 -8.446 1.00 0.00 C ATOM 1302 CG1 ILE A 88 12.298 9.838 -9.010 1.00 0.00 C ATOM 1303 CG2 ILE A 88 13.584 11.698 -7.922 1.00 0.00 C ATOM 1304 CD1 ILE A 88 12.333 8.697 -7.986 1.00 0.00 C ATOM 0 H ILE A 88 9.714 10.715 -8.697 1.00 0.00 H new ATOM 0 HA ILE A 88 11.430 10.893 -6.491 1.00 0.00 H new ATOM 0 HB ILE A 88 11.862 11.894 -9.278 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.450 9.673 -9.674 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.199 9.775 -9.621 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.331 11.538 -8.699 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.564 12.753 -7.650 1.00 0.00 H new ATOM 0 HG23 ILE A 88 13.839 11.102 -7.046 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.405 7.742 -8.507 1.00 0.00 H new ATOM 0 HD12 ILE A 88 13.198 8.820 -7.334 1.00 0.00 H new ATOM 0 HD13 ILE A 88 11.422 8.717 -7.388 1.00 0.00 H new ATOM 1316 N LEU A 89 10.485 13.855 -7.755 1.00 0.00 N ATOM 1317 CA LEU A 89 10.383 15.286 -7.437 1.00 0.00 C ATOM 1318 C LEU A 89 9.607 15.519 -6.136 1.00 0.00 C ATOM 1319 O LEU A 89 10.071 16.287 -5.301 1.00 0.00 O ATOM 1320 CB LEU A 89 9.729 16.027 -8.629 1.00 0.00 C ATOM 1321 CG LEU A 89 9.437 17.526 -8.384 1.00 0.00 C ATOM 1322 CD1 LEU A 89 10.718 18.345 -8.224 1.00 0.00 C ATOM 1323 CD2 LEU A 89 8.631 18.109 -9.538 1.00 0.00 C ATOM 0 H LEU A 89 10.059 13.596 -8.645 1.00 0.00 H new ATOM 0 HA LEU A 89 11.384 15.686 -7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.382 15.936 -9.497 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.794 15.526 -8.880 1.00 0.00 H new ATOM 0 HG LEU A 89 8.868 17.584 -7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.462 19.391 -8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.287 17.968 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.319 18.261 -9.129 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.435 19.164 -9.348 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.195 18.006 -10.465 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.685 17.575 -9.628 1.00 0.00 H new ATOM 1335 N ASN A 90 8.482 14.833 -5.927 1.00 0.00 N ATOM 1336 CA ASN A 90 7.697 14.966 -4.699 1.00 0.00 C ATOM 1337 C ASN A 90 8.498 14.512 -3.467 1.00 0.00 C ATOM 1338 O ASN A 90 8.586 15.253 -2.492 1.00 0.00 O ATOM 1339 CB ASN A 90 6.373 14.200 -4.863 1.00 0.00 C ATOM 1340 CG ASN A 90 5.478 14.361 -3.644 1.00 0.00 C ATOM 1341 OD1 ASN A 90 5.541 13.579 -2.708 1.00 0.00 O ATOM 1342 ND2 ASN A 90 4.656 15.383 -3.599 1.00 0.00 N ATOM 0 H ASN A 90 8.091 14.173 -6.600 1.00 0.00 H new ATOM 0 HA ASN A 90 7.463 16.017 -4.527 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.851 14.561 -5.749 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.582 13.142 -5.025 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.066 15.527 -2.780 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.607 16.033 -4.383 1.00 0.00 H new ATOM 1349 N ARG A 91 9.166 13.348 -3.521 1.00 0.00 N ATOM 1350 CA ARG A 91 10.004 12.866 -2.402 1.00 0.00 C ATOM 1351 C ARG A 91 11.176 13.807 -2.125 1.00 0.00 C ATOM 1352 O ARG A 91 11.453 14.115 -0.974 1.00 0.00 O ATOM 1353 CB ARG A 91 10.501 11.428 -2.678 1.00 0.00 C ATOM 1354 CG ARG A 91 10.519 10.567 -1.396 1.00 0.00 C ATOM 1355 CD ARG A 91 9.315 9.612 -1.293 1.00 0.00 C ATOM 1356 NE ARG A 91 8.027 10.287 -1.572 1.00 0.00 N ATOM 1357 CZ ARG A 91 7.174 10.040 -2.552 1.00 0.00 C ATOM 1358 NH1 ARG A 91 7.292 9.029 -3.360 1.00 0.00 N ATOM 1359 NH2 ARG A 91 6.155 10.809 -2.773 1.00 0.00 N ATOM 0 H ARG A 91 9.144 12.721 -4.325 1.00 0.00 H new ATOM 0 HA ARG A 91 9.384 12.852 -1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.857 10.958 -3.421 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.504 11.466 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.440 9.985 -1.369 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.531 11.223 -0.525 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.448 8.788 -1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.285 9.178 -0.294 1.00 0.00 H new ATOM 0 HE ARG A 91 7.765 11.035 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.072 8.380 -3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.605 8.885 -4.100 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.996 11.627 -2.185 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.512 10.597 -3.535 1.00 0.00 H new ATOM 1373 N LEU A 92 11.826 14.305 -3.177 1.00 0.00 N ATOM 1374 CA LEU A 92 12.985 15.203 -3.086 1.00 0.00 C ATOM 1375 C LEU A 92 12.597 16.576 -2.525 1.00 0.00 C ATOM 1376 O LEU A 92 13.207 17.046 -1.567 1.00 0.00 O ATOM 1377 CB LEU A 92 13.598 15.253 -4.502 1.00 0.00 C ATOM 1378 CG LEU A 92 14.882 16.056 -4.742 1.00 0.00 C ATOM 1379 CD1 LEU A 92 14.669 17.564 -4.767 1.00 0.00 C ATOM 1380 CD2 LEU A 92 15.987 15.725 -3.742 1.00 0.00 C ATOM 0 H LEU A 92 11.558 14.093 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 92 13.729 14.838 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 92 13.793 14.226 -4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.836 15.648 -5.174 1.00 0.00 H new ATOM 0 HG LEU A 92 15.199 15.744 -5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.622 18.063 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.974 17.820 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.258 17.889 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.870 16.325 -3.963 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.642 15.946 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.239 14.667 -3.816 1.00 0.00 H new ATOM 1392 N ARG A 93 11.546 17.196 -3.071 1.00 0.00 N ATOM 1393 CA ARG A 93 11.033 18.495 -2.605 1.00 0.00 C ATOM 1394 C ARG A 93 10.559 18.420 -1.156 1.00 0.00 C ATOM 1395 O ARG A 93 10.899 19.290 -0.361 1.00 0.00 O ATOM 1396 CB ARG A 93 9.933 18.976 -3.570 1.00 0.00 C ATOM 1397 CG ARG A 93 9.390 20.372 -3.224 1.00 0.00 C ATOM 1398 CD ARG A 93 8.362 20.819 -4.271 1.00 0.00 C ATOM 1399 NE ARG A 93 7.664 22.046 -3.838 1.00 0.00 N ATOM 1400 CZ ARG A 93 7.719 23.252 -4.376 1.00 0.00 C ATOM 1401 NH1 ARG A 93 8.489 23.552 -5.381 1.00 0.00 N ATOM 1402 NH2 ARG A 93 6.976 24.211 -3.900 1.00 0.00 N ATOM 0 H ARG A 93 11.021 16.810 -3.856 1.00 0.00 H new ATOM 0 HA ARG A 93 11.837 19.231 -2.612 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.330 18.989 -4.585 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.111 18.261 -3.559 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.929 20.356 -2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.210 21.088 -3.181 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.862 20.998 -5.223 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.636 20.023 -4.436 1.00 0.00 H new ATOM 0 HE ARG A 93 7.063 21.951 -3.019 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.091 22.839 -5.793 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.491 24.500 -5.757 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.353 24.031 -3.113 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.018 25.142 -4.314 1.00 0.00 H new ATOM 1416 N GLU A 94 9.856 17.355 -0.771 1.00 0.00 N ATOM 1417 CA GLU A 94 9.420 17.171 0.618 1.00 0.00 C ATOM 1418 C GLU A 94 10.598 16.874 1.564 1.00 0.00 C ATOM 1419 O GLU A 94 10.662 17.462 2.643 1.00 0.00 O ATOM 1420 CB GLU A 94 8.325 16.095 0.692 1.00 0.00 C ATOM 1421 CG GLU A 94 7.040 16.533 -0.033 1.00 0.00 C ATOM 1422 CD GLU A 94 6.329 17.678 0.717 1.00 0.00 C ATOM 1423 OE1 GLU A 94 5.616 17.410 1.716 1.00 0.00 O ATOM 1424 OE2 GLU A 94 6.478 18.858 0.317 1.00 0.00 O ATOM 0 H GLU A 94 9.575 16.604 -1.401 1.00 0.00 H new ATOM 0 HA GLU A 94 8.992 18.111 0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.694 15.170 0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.097 15.880 1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.284 16.856 -1.045 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.365 15.682 -0.124 1.00 0.00 H new ATOM 1431 N ARG A 95 11.582 16.064 1.145 1.00 0.00 N ATOM 1432 CA ARG A 95 12.818 15.804 1.914 1.00 0.00 C ATOM 1433 C ARG A 95 13.607 17.085 2.214 1.00 0.00 C ATOM 1434 O ARG A 95 14.078 17.262 3.336 1.00 0.00 O ATOM 1435 CB ARG A 95 13.687 14.794 1.138 1.00 0.00 C ATOM 1436 CG ARG A 95 14.946 14.315 1.881 1.00 0.00 C ATOM 1437 CD ARG A 95 15.802 13.445 0.946 1.00 0.00 C ATOM 1438 NE ARG A 95 16.681 12.523 1.687 1.00 0.00 N ATOM 1439 CZ ARG A 95 17.844 12.736 2.268 1.00 0.00 C ATOM 1440 NH1 ARG A 95 18.426 13.901 2.314 1.00 0.00 N ATOM 1441 NH2 ARG A 95 18.429 11.718 2.822 1.00 0.00 N ATOM 0 H ARG A 95 11.546 15.565 0.256 1.00 0.00 H new ATOM 0 HA ARG A 95 12.535 15.388 2.881 1.00 0.00 H new ATOM 0 HB2 ARG A 95 13.076 13.926 0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 95 13.991 15.248 0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.524 15.172 2.226 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.663 13.745 2.766 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.149 12.871 0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 95 16.409 14.089 0.309 1.00 0.00 H new ATOM 0 HE ARG A 95 16.333 11.567 1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 95 17.980 14.711 1.885 1.00 0.00 H new ATOM 0 HH12 ARG A 95 19.328 14.002 2.779 1.00 0.00 H new ATOM 0 HH21 ARG A 95 17.987 10.799 2.796 1.00 0.00 H new ATOM 0 HH22 ARG A 95 19.331 11.837 3.283 1.00 0.00 H new ATOM 1455 N VAL A 96 13.765 17.967 1.217 1.00 0.00 N ATOM 1456 CA VAL A 96 14.612 19.177 1.340 1.00 0.00 C ATOM 1457 C VAL A 96 13.853 20.383 1.913 1.00 0.00 C ATOM 1458 O VAL A 96 14.417 21.117 2.730 1.00 0.00 O ATOM 1459 CB VAL A 96 15.296 19.514 0.000 1.00 0.00 C ATOM 1460 CG1 VAL A 96 16.240 20.721 0.124 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.150 18.326 -0.473 1.00 0.00 C ATOM 0 H VAL A 96 13.316 17.869 0.306 1.00 0.00 H new ATOM 0 HA VAL A 96 15.391 18.942 2.065 1.00 0.00 H new ATOM 0 HB VAL A 96 14.498 19.741 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.701 20.924 -0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.673 21.595 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.016 20.502 0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.628 18.576 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 96 16.914 18.108 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.514 17.451 -0.607 1.00 0.00 H new ATOM 1471 N SER A 97 12.586 20.575 1.532 1.00 0.00 N ATOM 1472 CA SER A 97 11.796 21.781 1.859 1.00 0.00 C ATOM 1473 C SER A 97 10.543 21.517 2.714 1.00 0.00 C ATOM 1474 O SER A 97 9.957 22.470 3.234 1.00 0.00 O ATOM 1475 CB SER A 97 11.398 22.514 0.569 1.00 0.00 C ATOM 1476 OG SER A 97 12.545 22.830 -0.211 1.00 0.00 O ATOM 0 H SER A 97 12.067 19.892 0.980 1.00 0.00 H new ATOM 0 HA SER A 97 12.450 22.400 2.473 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.718 21.891 -0.013 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.859 23.428 0.817 1.00 0.00 H new ATOM 0 HG SER A 97 12.267 23.295 -1.028 1.00 0.00 H new