USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 632 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 78 ASN : amide:sc= -0.0571 K(o=-6.3,f=-12!) USER MOD Set 1.2: A 81 ASN : amide:sc= -6.22! C(o=-6.3!,f=-13!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 27:sc= -2.47! USER MOD Single : A 24 GLN : amide:sc= -0.232 K(o=-0.23,f=-2.4!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.496 K(o=-0.5,f=-3!) USER MOD Single : A 46 ASN :FLIP amide:sc= 0.621 F(o=-0.45,f=0.62) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00188 USER MOD Single : A 49 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.39) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.2!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0341 K(o=-0.034,f=-2.5!) USER MOD Single : A 76 MET CE :methyl 169:sc= -6.15! (180deg=-6.5!) USER MOD Single : A 77 GLN : amide:sc= -1.73 K(o=-1.7,f=-6.5!) USER MOD Single : A 91 TYR OH : rot -25:sc= -0.21 USER MOD Single : A 92 GLN :FLIP amide:sc= 0.839 F(o=-0.24,f=0.84) USER MOD ----------------------------------------------------------------- ATOM 212 N VAL A 18 -8.090 2.413 -7.061 1.00 0.00 N ATOM 213 CA VAL A 18 -7.653 1.753 -5.844 1.00 0.00 C ATOM 214 C VAL A 18 -8.474 0.479 -5.636 1.00 0.00 C ATOM 215 O VAL A 18 -9.699 0.533 -5.548 1.00 0.00 O ATOM 216 CB VAL A 18 -7.742 2.721 -4.662 1.00 0.00 C ATOM 217 CG1 VAL A 18 -7.600 1.977 -3.332 1.00 0.00 C ATOM 218 CG2 VAL A 18 -6.698 3.832 -4.783 1.00 0.00 C ATOM 0 HA VAL A 18 -6.607 1.456 -5.926 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.728 3.185 -4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.667 2.688 -2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.398 1.240 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.634 1.473 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.783 4.506 -3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.700 3.393 -4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.865 4.390 -5.704 1.00 0.00 H new ATOM 228 N SER A 19 -7.765 -0.639 -5.564 1.00 0.00 N ATOM 229 CA SER A 19 -8.413 -1.925 -5.369 1.00 0.00 C ATOM 230 C SER A 19 -8.990 -2.010 -3.955 1.00 0.00 C ATOM 231 O SER A 19 -8.501 -1.350 -3.040 1.00 0.00 O ATOM 232 CB SER A 19 -7.437 -3.076 -5.615 1.00 0.00 C ATOM 233 OG SER A 19 -7.873 -3.931 -6.669 1.00 0.00 O ATOM 0 H SER A 19 -6.748 -0.680 -5.637 1.00 0.00 H new ATOM 0 HA SER A 19 -9.224 -2.013 -6.091 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.454 -2.672 -5.859 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.324 -3.657 -4.700 1.00 0.00 H new ATOM 0 HG SER A 19 -7.222 -4.652 -6.796 1.00 0.00 H new ATOM 239 N PRO A 20 -10.050 -2.851 -3.816 1.00 0.00 N ATOM 240 CA PRO A 20 -10.699 -3.032 -2.529 1.00 0.00 C ATOM 241 C PRO A 20 -9.846 -3.899 -1.602 1.00 0.00 C ATOM 242 O PRO A 20 -10.013 -3.863 -0.384 1.00 0.00 O ATOM 243 CB PRO A 20 -12.047 -3.655 -2.852 1.00 0.00 C ATOM 244 CG PRO A 20 -11.917 -4.227 -4.254 1.00 0.00 C ATOM 245 CD PRO A 20 -10.657 -3.649 -4.878 1.00 0.00 C ATOM 0 HA PRO A 20 -10.828 -2.095 -1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.299 -4.435 -2.134 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.842 -2.911 -2.806 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.861 -5.315 -4.219 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.791 -3.972 -4.853 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.984 -4.438 -5.215 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.891 -3.037 -5.749 1.00 0.00 H new ATOM 253 N ASP A 21 -8.949 -4.659 -2.214 1.00 0.00 N ATOM 254 CA ASP A 21 -8.069 -5.534 -1.458 1.00 0.00 C ATOM 255 C ASP A 21 -6.768 -4.793 -1.143 1.00 0.00 C ATOM 256 O ASP A 21 -5.786 -5.406 -0.728 1.00 0.00 O ATOM 257 CB ASP A 21 -7.717 -6.787 -2.262 1.00 0.00 C ATOM 258 CG ASP A 21 -8.872 -7.385 -3.069 1.00 0.00 C ATOM 259 OD1 ASP A 21 -9.952 -7.563 -2.466 1.00 0.00 O ATOM 260 OD2 ASP A 21 -8.648 -7.649 -4.270 1.00 0.00 O ATOM 0 H ASP A 21 -8.813 -4.687 -3.224 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.586 -5.825 -0.544 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.903 -6.545 -2.946 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.342 -7.547 -1.576 1.00 0.00 H new ATOM 265 N ILE A 22 -6.804 -3.486 -1.352 1.00 0.00 N ATOM 266 CA ILE A 22 -5.640 -2.655 -1.095 1.00 0.00 C ATOM 267 C ILE A 22 -5.061 -3.006 0.277 1.00 0.00 C ATOM 268 O ILE A 22 -3.846 -2.978 0.468 1.00 0.00 O ATOM 269 CB ILE A 22 -5.992 -1.175 -1.253 1.00 0.00 C ATOM 270 CG1 ILE A 22 -4.802 -0.285 -0.889 1.00 0.00 C ATOM 271 CG2 ILE A 22 -7.242 -0.819 -0.444 1.00 0.00 C ATOM 272 CD1 ILE A 22 -3.886 -0.073 -2.096 1.00 0.00 C ATOM 0 H ILE A 22 -7.621 -2.981 -1.696 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.861 -2.854 -1.831 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.223 -0.990 -2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.161 0.678 -0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.238 -0.741 -0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.470 0.239 -0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.084 -1.417 -0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.063 -1.025 0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.048 0.563 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.509 -1.036 -2.440 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.447 0.405 -2.899 1.00 0.00 H new ATOM 284 N TYR A 23 -5.957 -3.329 1.197 1.00 0.00 N ATOM 285 CA TYR A 23 -5.551 -3.686 2.546 1.00 0.00 C ATOM 286 C TYR A 23 -4.759 -4.995 2.552 1.00 0.00 C ATOM 287 O TYR A 23 -3.595 -5.019 2.949 1.00 0.00 O ATOM 288 CB TYR A 23 -6.845 -3.882 3.338 1.00 0.00 C ATOM 289 CG TYR A 23 -7.889 -2.789 3.105 1.00 0.00 C ATOM 290 CD1 TYR A 23 -7.738 -1.552 3.699 1.00 0.00 C ATOM 291 CD2 TYR A 23 -8.983 -3.039 2.301 1.00 0.00 C ATOM 292 CE1 TYR A 23 -8.721 -0.523 3.480 1.00 0.00 C ATOM 293 CE2 TYR A 23 -9.966 -2.010 2.082 1.00 0.00 C ATOM 294 CZ TYR A 23 -9.786 -0.803 2.682 1.00 0.00 C ATOM 295 OH TYR A 23 -10.715 0.169 2.475 1.00 0.00 O ATOM 0 H TYR A 23 -6.964 -3.351 1.035 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.913 -2.912 2.973 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.278 -4.846 3.073 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.606 -3.921 4.401 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.882 -1.356 4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.102 -4.007 1.836 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.615 0.449 3.939 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.827 -2.193 1.456 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.295 1.049 2.573 1.00 0.00 H new ATOM 305 N GLN A 24 -5.423 -6.052 2.107 1.00 0.00 N ATOM 306 CA GLN A 24 -4.796 -7.362 2.057 1.00 0.00 C ATOM 307 C GLN A 24 -3.511 -7.304 1.228 1.00 0.00 C ATOM 308 O GLN A 24 -2.573 -8.061 1.476 1.00 0.00 O ATOM 309 CB GLN A 24 -5.760 -8.411 1.499 1.00 0.00 C ATOM 310 CG GLN A 24 -5.316 -9.824 1.883 1.00 0.00 C ATOM 311 CD GLN A 24 -6.002 -10.284 3.171 1.00 0.00 C ATOM 312 OE1 GLN A 24 -6.931 -9.666 3.665 1.00 0.00 O ATOM 313 NE2 GLN A 24 -5.493 -11.400 3.685 1.00 0.00 N ATOM 0 H GLN A 24 -6.388 -6.028 1.778 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.537 -7.658 3.074 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.764 -8.226 1.879 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.809 -8.324 0.414 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.552 -10.516 1.074 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.234 -9.846 2.015 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.715 -11.867 3.220 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.881 -11.789 4.544 1.00 0.00 H new ATOM 322 N GLN A 25 -3.509 -6.398 0.261 1.00 0.00 N ATOM 323 CA GLN A 25 -2.354 -6.231 -0.605 1.00 0.00 C ATOM 324 C GLN A 25 -1.148 -5.750 0.204 1.00 0.00 C ATOM 325 O GLN A 25 -0.069 -6.333 0.122 1.00 0.00 O ATOM 326 CB GLN A 25 -2.665 -5.268 -1.753 1.00 0.00 C ATOM 327 CG GLN A 25 -3.513 -5.950 -2.828 1.00 0.00 C ATOM 328 CD GLN A 25 -3.055 -5.542 -4.229 1.00 0.00 C ATOM 329 OE1 GLN A 25 -2.363 -6.271 -4.921 1.00 0.00 O ATOM 330 NE2 GLN A 25 -3.477 -4.339 -4.607 1.00 0.00 N ATOM 0 H GLN A 25 -4.288 -5.772 0.058 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.109 -7.199 -1.042 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.193 -4.396 -1.368 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.735 -4.909 -2.193 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.442 -7.032 -2.719 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.561 -5.684 -2.692 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.054 -3.780 -3.978 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.224 -3.975 -5.526 1.00 0.00 H new ATOM 339 N VAL A 26 -1.373 -4.690 0.966 1.00 0.00 N ATOM 340 CA VAL A 26 -0.318 -4.123 1.789 1.00 0.00 C ATOM 341 C VAL A 26 0.274 -5.219 2.677 1.00 0.00 C ATOM 342 O VAL A 26 1.462 -5.527 2.582 1.00 0.00 O ATOM 343 CB VAL A 26 -0.858 -2.934 2.587 1.00 0.00 C ATOM 344 CG1 VAL A 26 0.200 -2.395 3.552 1.00 0.00 C ATOM 345 CG2 VAL A 26 -1.362 -1.832 1.654 1.00 0.00 C ATOM 0 H VAL A 26 -2.270 -4.209 1.031 1.00 0.00 H new ATOM 0 HA VAL A 26 0.489 -3.739 1.165 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.703 -3.284 3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.210 -1.551 4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.490 -3.181 4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.074 -2.069 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.740 -0.999 2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.543 -1.486 1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.162 -2.224 1.027 1.00 0.00 H new ATOM 355 N ARG A 27 -0.580 -5.779 3.521 1.00 0.00 N ATOM 356 CA ARG A 27 -0.156 -6.835 4.425 1.00 0.00 C ATOM 357 C ARG A 27 0.733 -7.839 3.689 1.00 0.00 C ATOM 358 O ARG A 27 1.880 -8.058 4.076 1.00 0.00 O ATOM 359 CB ARG A 27 -1.361 -7.569 5.018 1.00 0.00 C ATOM 360 CG ARG A 27 -2.197 -6.633 5.893 1.00 0.00 C ATOM 361 CD ARG A 27 -3.692 -6.903 5.712 1.00 0.00 C ATOM 362 NE ARG A 27 -4.307 -7.239 7.016 1.00 0.00 N ATOM 363 CZ ARG A 27 -4.245 -8.450 7.586 1.00 0.00 C ATOM 364 NH1 ARG A 27 -3.595 -9.448 6.970 1.00 0.00 N ATOM 365 NH2 ARG A 27 -4.833 -8.664 8.771 1.00 0.00 N ATOM 0 H ARG A 27 -1.564 -5.521 3.598 1.00 0.00 H new ATOM 0 HA ARG A 27 0.407 -6.372 5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.979 -7.970 4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.019 -8.418 5.610 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.924 -6.767 6.940 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.977 -5.597 5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.179 -6.026 5.286 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.839 -7.723 5.009 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.809 -6.503 7.512 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.148 -9.285 6.068 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.548 -10.370 7.404 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.328 -7.905 9.239 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.786 -9.586 9.205 1.00 0.00 H new ATOM 379 N ASP A 28 0.169 -8.423 2.642 1.00 0.00 N ATOM 380 CA ASP A 28 0.897 -9.399 1.848 1.00 0.00 C ATOM 381 C ASP A 28 2.194 -8.770 1.337 1.00 0.00 C ATOM 382 O ASP A 28 3.194 -9.462 1.154 1.00 0.00 O ATOM 383 CB ASP A 28 0.077 -9.844 0.636 1.00 0.00 C ATOM 384 CG ASP A 28 0.315 -11.288 0.189 1.00 0.00 C ATOM 385 OD1 ASP A 28 1.280 -11.493 -0.579 1.00 0.00 O ATOM 386 OD2 ASP A 28 -0.474 -12.154 0.624 1.00 0.00 O ATOM 0 H ASP A 28 -0.783 -8.239 2.325 1.00 0.00 H new ATOM 0 HA ASP A 28 1.103 -10.262 2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.981 -9.721 0.867 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.300 -9.180 -0.199 1.00 0.00 H new ATOM 391 N GLU A 29 2.136 -7.464 1.122 1.00 0.00 N ATOM 392 CA GLU A 29 3.293 -6.733 0.635 1.00 0.00 C ATOM 393 C GLU A 29 4.376 -6.675 1.715 1.00 0.00 C ATOM 394 O GLU A 29 5.546 -6.938 1.441 1.00 0.00 O ATOM 395 CB GLU A 29 2.901 -5.328 0.175 1.00 0.00 C ATOM 396 CG GLU A 29 3.812 -4.847 -0.956 1.00 0.00 C ATOM 397 CD GLU A 29 3.323 -5.362 -2.311 1.00 0.00 C ATOM 398 OE1 GLU A 29 2.087 -5.395 -2.493 1.00 0.00 O ATOM 399 OE2 GLU A 29 4.196 -5.713 -3.134 1.00 0.00 O ATOM 0 H GLU A 29 1.305 -6.893 1.276 1.00 0.00 H new ATOM 0 HA GLU A 29 3.696 -7.262 -0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.865 -5.328 -0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.962 -4.636 1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.841 -3.757 -0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.831 -5.191 -0.778 1.00 0.00 H new ATOM 406 N LEU A 30 3.948 -6.328 2.919 1.00 0.00 N ATOM 407 CA LEU A 30 4.866 -6.231 4.041 1.00 0.00 C ATOM 408 C LEU A 30 5.507 -7.598 4.289 1.00 0.00 C ATOM 409 O LEU A 30 6.705 -7.688 4.550 1.00 0.00 O ATOM 410 CB LEU A 30 4.155 -5.654 5.267 1.00 0.00 C ATOM 411 CG LEU A 30 3.325 -4.391 5.028 1.00 0.00 C ATOM 412 CD1 LEU A 30 2.527 -4.015 6.278 1.00 0.00 C ATOM 413 CD2 LEU A 30 4.206 -3.239 4.542 1.00 0.00 C ATOM 0 H LEU A 30 2.977 -6.110 3.143 1.00 0.00 H new ATOM 0 HA LEU A 30 5.674 -5.536 3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.500 -6.423 5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.905 -5.434 6.027 1.00 0.00 H new ATOM 0 HG LEU A 30 2.605 -4.600 4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.946 -3.114 6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.854 -4.831 6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.212 -3.831 7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.591 -2.354 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.966 -3.020 5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.690 -3.521 3.607 1.00 0.00 H new ATOM 425 N LYS A 31 4.679 -8.629 4.199 1.00 0.00 N ATOM 426 CA LYS A 31 5.150 -9.988 4.410 1.00 0.00 C ATOM 427 C LYS A 31 6.030 -10.407 3.231 1.00 0.00 C ATOM 428 O LYS A 31 6.693 -11.442 3.284 1.00 0.00 O ATOM 429 CB LYS A 31 3.972 -10.930 4.664 1.00 0.00 C ATOM 430 CG LYS A 31 4.457 -12.294 5.159 1.00 0.00 C ATOM 431 CD LYS A 31 4.033 -13.408 4.200 1.00 0.00 C ATOM 432 CE LYS A 31 2.935 -14.276 4.818 1.00 0.00 C ATOM 433 NZ LYS A 31 2.898 -15.605 4.168 1.00 0.00 N ATOM 0 H LYS A 31 3.685 -8.551 3.983 1.00 0.00 H new ATOM 0 HA LYS A 31 5.769 -10.042 5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.302 -10.489 5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.398 -11.055 3.746 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.543 -12.285 5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.051 -12.490 6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.675 -12.973 3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.895 -14.027 3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.114 -14.392 5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.969 -13.784 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.147 -16.182 4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.706 -15.490 3.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.815 -16.079 4.295 1.00 0.00 H new ATOM 447 N ARG A 32 6.007 -9.582 2.194 1.00 0.00 N ATOM 448 CA ARG A 32 6.794 -9.855 1.004 1.00 0.00 C ATOM 449 C ARG A 32 8.180 -9.219 1.127 1.00 0.00 C ATOM 450 O ARG A 32 9.194 -9.887 0.927 1.00 0.00 O ATOM 451 CB ARG A 32 6.102 -9.315 -0.249 1.00 0.00 C ATOM 452 CG ARG A 32 6.156 -10.335 -1.388 1.00 0.00 C ATOM 453 CD ARG A 32 4.810 -11.046 -1.551 1.00 0.00 C ATOM 454 NE ARG A 32 4.821 -12.326 -0.808 1.00 0.00 N ATOM 455 CZ ARG A 32 4.002 -13.354 -1.071 1.00 0.00 C ATOM 456 NH1 ARG A 32 3.103 -13.258 -2.059 1.00 0.00 N ATOM 457 NH2 ARG A 32 4.083 -14.477 -0.345 1.00 0.00 N ATOM 0 H ARG A 32 5.456 -8.725 2.154 1.00 0.00 H new ATOM 0 HA ARG A 32 6.894 -10.937 0.913 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.064 -9.075 -0.020 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.582 -8.388 -0.563 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.421 -9.833 -2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.937 -11.068 -1.188 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.006 -10.409 -1.183 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.612 -11.231 -2.607 1.00 0.00 H new ATOM 0 HE ARG A 32 5.494 -12.432 -0.049 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.042 -12.403 -2.611 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.480 -14.040 -2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.768 -14.549 0.408 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.460 -15.259 -0.545 1.00 0.00 H new ATOM 471 N ALA A 33 8.180 -7.935 1.456 1.00 0.00 N ATOM 472 CA ALA A 33 9.425 -7.202 1.608 1.00 0.00 C ATOM 473 C ALA A 33 9.889 -7.290 3.063 1.00 0.00 C ATOM 474 O ALA A 33 10.979 -6.828 3.400 1.00 0.00 O ATOM 475 CB ALA A 33 9.227 -5.757 1.146 1.00 0.00 C ATOM 0 H ALA A 33 7.338 -7.384 1.621 1.00 0.00 H new ATOM 0 HA ALA A 33 10.206 -7.639 0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.161 -5.207 1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.926 -5.748 0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.452 -5.285 1.750 1.00 0.00 H new ATOM 481 N SER A 34 9.040 -7.886 3.887 1.00 0.00 N ATOM 482 CA SER A 34 9.349 -8.040 5.298 1.00 0.00 C ATOM 483 C SER A 34 9.719 -6.685 5.904 1.00 0.00 C ATOM 484 O SER A 34 10.646 -6.593 6.707 1.00 0.00 O ATOM 485 CB SER A 34 10.486 -9.043 5.507 1.00 0.00 C ATOM 486 OG SER A 34 10.455 -9.623 6.808 1.00 0.00 O ATOM 0 H SER A 34 8.138 -8.268 3.604 1.00 0.00 H new ATOM 0 HA SER A 34 8.463 -8.426 5.802 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.416 -9.831 4.757 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.443 -8.543 5.356 1.00 0.00 H new ATOM 0 HG SER A 34 11.196 -10.258 6.901 1.00 0.00 H new ATOM 492 N VAL A 35 8.975 -5.667 5.496 1.00 0.00 N ATOM 493 CA VAL A 35 9.214 -4.321 5.989 1.00 0.00 C ATOM 494 C VAL A 35 8.145 -3.965 7.025 1.00 0.00 C ATOM 495 O VAL A 35 7.070 -4.562 7.042 1.00 0.00 O ATOM 496 CB VAL A 35 9.264 -3.337 4.819 1.00 0.00 C ATOM 497 CG1 VAL A 35 9.219 -4.075 3.479 1.00 0.00 C ATOM 498 CG2 VAL A 35 8.134 -2.311 4.917 1.00 0.00 C ATOM 0 H VAL A 35 8.207 -5.747 4.830 1.00 0.00 H new ATOM 0 HA VAL A 35 10.182 -4.262 6.487 1.00 0.00 H new ATOM 0 HB VAL A 35 10.211 -2.800 4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.256 -3.352 2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.073 -4.748 3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.296 -4.651 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.193 -1.623 4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.173 -2.825 4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.230 -1.752 5.848 1.00 0.00 H new ATOM 508 N SER A 36 8.479 -2.994 7.862 1.00 0.00 N ATOM 509 CA SER A 36 7.561 -2.551 8.898 1.00 0.00 C ATOM 510 C SER A 36 6.530 -1.588 8.307 1.00 0.00 C ATOM 511 O SER A 36 6.867 -0.745 7.478 1.00 0.00 O ATOM 512 CB SER A 36 8.313 -1.882 10.050 1.00 0.00 C ATOM 513 OG SER A 36 8.518 -2.773 11.143 1.00 0.00 O ATOM 0 H SER A 36 9.372 -2.502 7.844 1.00 0.00 H new ATOM 0 HA SER A 36 7.046 -3.425 9.295 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.277 -1.520 9.692 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.753 -1.012 10.392 1.00 0.00 H new ATOM 0 HG SER A 36 9.003 -2.309 11.857 1.00 0.00 H new ATOM 519 N GLN A 37 5.294 -1.747 8.757 1.00 0.00 N ATOM 520 CA GLN A 37 4.211 -0.902 8.283 1.00 0.00 C ATOM 521 C GLN A 37 4.693 0.543 8.129 1.00 0.00 C ATOM 522 O GLN A 37 4.270 1.248 7.214 1.00 0.00 O ATOM 523 CB GLN A 37 3.004 -0.980 9.219 1.00 0.00 C ATOM 524 CG GLN A 37 2.062 -2.114 8.806 1.00 0.00 C ATOM 525 CD GLN A 37 1.116 -2.485 9.950 1.00 0.00 C ATOM 526 OE1 GLN A 37 1.048 -1.823 10.973 1.00 0.00 O ATOM 527 NE2 GLN A 37 0.392 -3.576 9.721 1.00 0.00 N ATOM 0 H GLN A 37 5.018 -2.448 9.445 1.00 0.00 H new ATOM 0 HA GLN A 37 3.895 -1.265 7.305 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.343 -1.139 10.243 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.466 -0.032 9.204 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.483 -1.811 7.934 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.645 -2.987 8.513 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.498 -4.083 8.843 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.270 -3.906 10.424 1.00 0.00 H new ATOM 536 N ALA A 38 5.571 0.939 9.039 1.00 0.00 N ATOM 537 CA ALA A 38 6.114 2.287 9.016 1.00 0.00 C ATOM 538 C ALA A 38 6.940 2.477 7.742 1.00 0.00 C ATOM 539 O ALA A 38 6.605 3.309 6.900 1.00 0.00 O ATOM 540 CB ALA A 38 6.936 2.527 10.284 1.00 0.00 C ATOM 0 H ALA A 38 5.920 0.351 9.796 1.00 0.00 H new ATOM 0 HA ALA A 38 5.311 3.024 9.002 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.344 3.538 10.267 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.298 2.407 11.159 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.753 1.807 10.330 1.00 0.00 H new ATOM 546 N VAL A 39 8.003 1.693 7.641 1.00 0.00 N ATOM 547 CA VAL A 39 8.879 1.766 6.484 1.00 0.00 C ATOM 548 C VAL A 39 8.032 1.843 5.213 1.00 0.00 C ATOM 549 O VAL A 39 8.276 2.685 4.350 1.00 0.00 O ATOM 550 CB VAL A 39 9.848 0.581 6.486 1.00 0.00 C ATOM 551 CG1 VAL A 39 10.469 0.379 5.103 1.00 0.00 C ATOM 552 CG2 VAL A 39 10.930 0.759 7.553 1.00 0.00 C ATOM 0 H VAL A 39 8.278 1.004 8.341 1.00 0.00 H new ATOM 0 HA VAL A 39 9.489 2.668 6.523 1.00 0.00 H new ATOM 0 HB VAL A 39 9.280 -0.316 6.732 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.153 -0.469 5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.681 0.185 4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 39 11.016 1.277 4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.605 -0.097 7.533 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.493 1.670 7.352 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.464 0.830 8.536 1.00 0.00 H new ATOM 562 N PHE A 40 7.054 0.953 5.137 1.00 0.00 N ATOM 563 CA PHE A 40 6.169 0.910 3.985 1.00 0.00 C ATOM 564 C PHE A 40 5.291 2.162 3.921 1.00 0.00 C ATOM 565 O PHE A 40 5.391 2.947 2.979 1.00 0.00 O ATOM 566 CB PHE A 40 5.273 -0.318 4.155 1.00 0.00 C ATOM 567 CG PHE A 40 4.210 -0.469 3.064 1.00 0.00 C ATOM 568 CD1 PHE A 40 3.055 0.246 3.137 1.00 0.00 C ATOM 569 CD2 PHE A 40 4.421 -1.317 2.022 1.00 0.00 C ATOM 570 CE1 PHE A 40 2.069 0.106 2.125 1.00 0.00 C ATOM 571 CE2 PHE A 40 3.434 -1.457 1.010 1.00 0.00 C ATOM 572 CZ PHE A 40 2.279 -0.742 1.083 1.00 0.00 C ATOM 0 H PHE A 40 6.855 0.256 5.854 1.00 0.00 H new ATOM 0 HA PHE A 40 6.755 0.862 3.067 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.897 -1.212 4.166 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.778 -0.263 5.125 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.888 0.920 3.964 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.339 -1.884 1.964 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.152 0.673 2.183 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.601 -2.131 0.183 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.529 -0.848 0.313 1.00 0.00 H new ATOM 582 N ALA A 41 4.451 2.309 4.935 1.00 0.00 N ATOM 583 CA ALA A 41 3.556 3.452 5.005 1.00 0.00 C ATOM 584 C ALA A 41 4.349 4.732 4.732 1.00 0.00 C ATOM 585 O ALA A 41 3.792 5.722 4.260 1.00 0.00 O ATOM 586 CB ALA A 41 2.864 3.475 6.369 1.00 0.00 C ATOM 0 H ALA A 41 4.371 1.656 5.715 1.00 0.00 H new ATOM 0 HA ALA A 41 2.778 3.378 4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.193 4.332 6.422 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.292 2.557 6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.614 3.552 7.156 1.00 0.00 H new ATOM 592 N ARG A 42 5.636 4.670 5.041 1.00 0.00 N ATOM 593 CA ARG A 42 6.510 5.812 4.834 1.00 0.00 C ATOM 594 C ARG A 42 6.898 5.924 3.359 1.00 0.00 C ATOM 595 O ARG A 42 7.042 7.027 2.833 1.00 0.00 O ATOM 596 CB ARG A 42 7.779 5.694 5.681 1.00 0.00 C ATOM 597 CG ARG A 42 8.634 6.958 5.566 1.00 0.00 C ATOM 598 CD ARG A 42 7.822 8.204 5.924 1.00 0.00 C ATOM 599 NE ARG A 42 8.589 9.056 6.860 1.00 0.00 N ATOM 600 CZ ARG A 42 8.041 10.003 7.634 1.00 0.00 C ATOM 601 NH1 ARG A 42 6.720 10.225 7.589 1.00 0.00 N ATOM 602 NH2 ARG A 42 8.814 10.729 8.454 1.00 0.00 N ATOM 0 H ARG A 42 6.094 3.847 5.433 1.00 0.00 H new ATOM 0 HA ARG A 42 5.965 6.706 5.138 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.510 5.526 6.724 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.357 4.829 5.358 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.497 6.879 6.228 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.019 7.050 4.550 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.584 8.765 5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.874 7.913 6.377 1.00 0.00 H new ATOM 0 HE ARG A 42 9.597 8.914 6.920 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.131 9.673 6.965 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.304 10.946 8.178 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.819 10.561 8.489 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.397 11.450 9.043 1.00 0.00 H new ATOM 616 N VAL A 43 7.056 4.768 2.732 1.00 0.00 N ATOM 617 CA VAL A 43 7.425 4.722 1.327 1.00 0.00 C ATOM 618 C VAL A 43 6.179 4.433 0.487 1.00 0.00 C ATOM 619 O VAL A 43 6.278 4.209 -0.718 1.00 0.00 O ATOM 620 CB VAL A 43 8.542 3.698 1.112 1.00 0.00 C ATOM 621 CG1 VAL A 43 9.728 3.979 2.038 1.00 0.00 C ATOM 622 CG2 VAL A 43 8.022 2.272 1.303 1.00 0.00 C ATOM 0 H VAL A 43 6.935 3.855 3.171 1.00 0.00 H new ATOM 0 HA VAL A 43 7.819 5.685 1.004 1.00 0.00 H new ATOM 0 HB VAL A 43 8.891 3.792 0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.508 3.237 1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.122 4.974 1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.400 3.926 3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.835 1.564 1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.634 2.159 2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.225 2.076 0.585 1.00 0.00 H new ATOM 632 N ALA A 44 5.036 4.447 1.157 1.00 0.00 N ATOM 633 CA ALA A 44 3.773 4.190 0.487 1.00 0.00 C ATOM 634 C ALA A 44 3.044 5.515 0.255 1.00 0.00 C ATOM 635 O ALA A 44 2.714 5.856 -0.879 1.00 0.00 O ATOM 636 CB ALA A 44 2.946 3.206 1.317 1.00 0.00 C ATOM 0 H ALA A 44 4.958 4.632 2.157 1.00 0.00 H new ATOM 0 HA ALA A 44 3.942 3.733 -0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.998 3.013 0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.495 2.271 1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.754 3.632 2.302 1.00 0.00 H new ATOM 642 N PHE A 45 2.813 6.225 1.350 1.00 0.00 N ATOM 643 CA PHE A 45 2.129 7.505 1.280 1.00 0.00 C ATOM 644 C PHE A 45 2.725 8.500 2.278 1.00 0.00 C ATOM 645 O PHE A 45 2.093 9.500 2.616 1.00 0.00 O ATOM 646 CB PHE A 45 0.665 7.250 1.645 1.00 0.00 C ATOM 647 CG PHE A 45 0.464 6.127 2.664 1.00 0.00 C ATOM 648 CD1 PHE A 45 0.702 4.836 2.308 1.00 0.00 C ATOM 649 CD2 PHE A 45 0.048 6.419 3.925 1.00 0.00 C ATOM 650 CE1 PHE A 45 0.515 3.793 3.254 1.00 0.00 C ATOM 651 CE2 PHE A 45 -0.138 5.376 4.871 1.00 0.00 C ATOM 652 CZ PHE A 45 0.099 4.085 4.515 1.00 0.00 C ATOM 0 H PHE A 45 3.087 5.938 2.290 1.00 0.00 H new ATOM 0 HA PHE A 45 2.232 7.928 0.281 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.235 8.169 2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.112 7.007 0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.033 4.604 1.306 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.141 7.444 4.207 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.703 2.768 2.971 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.468 5.608 5.873 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.043 3.292 5.234 1.00 0.00 H new ATOM 662 N ASN A 46 3.935 8.192 2.721 1.00 0.00 N ATOM 663 CA ASN A 46 4.623 9.047 3.674 1.00 0.00 C ATOM 664 C ASN A 46 3.792 9.150 4.954 1.00 0.00 C ATOM 665 O ASN A 46 3.307 10.227 5.298 1.00 0.00 O ATOM 666 CB ASN A 46 4.807 10.459 3.114 1.00 0.00 C ATOM 667 CG ASN A 46 5.742 11.283 4.001 1.00 0.00 C ATOM 668 OD1 ASN A 46 6.972 11.418 3.513 1.00 0.00 O flip ATOM 669 ND2 ASN A 46 5.372 11.764 5.059 1.00 0.00 N flip ATOM 0 H ASN A 46 4.457 7.363 2.438 1.00 0.00 H new ATOM 0 HA ASN A 46 5.600 8.609 3.876 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.213 10.403 2.104 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.839 10.954 3.041 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.413 11.622 5.376 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.022 12.308 5.627 1.00 0.00 H new ATOM 676 N ARG A 47 3.652 8.016 5.624 1.00 0.00 N ATOM 677 CA ARG A 47 2.887 7.965 6.858 1.00 0.00 C ATOM 678 C ARG A 47 3.625 7.129 7.906 1.00 0.00 C ATOM 679 O ARG A 47 4.747 6.683 7.671 1.00 0.00 O ATOM 680 CB ARG A 47 1.499 7.366 6.622 1.00 0.00 C ATOM 681 CG ARG A 47 0.449 8.466 6.455 1.00 0.00 C ATOM 682 CD ARG A 47 0.232 9.221 7.768 1.00 0.00 C ATOM 683 NE ARG A 47 -0.829 10.239 7.597 1.00 0.00 N ATOM 684 CZ ARG A 47 -1.163 11.140 8.530 1.00 0.00 C ATOM 685 NH1 ARG A 47 -0.521 11.156 9.706 1.00 0.00 N ATOM 686 NH2 ARG A 47 -2.139 12.026 8.288 1.00 0.00 N ATOM 0 H ARG A 47 4.056 7.125 5.335 1.00 0.00 H new ATOM 0 HA ARG A 47 2.772 8.987 7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.517 6.737 5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.228 6.724 7.460 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.767 9.162 5.679 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.492 8.028 6.124 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.047 8.522 8.557 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.160 9.700 8.079 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.338 10.255 6.713 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.222 10.482 9.891 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.775 11.842 10.417 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.628 12.014 7.393 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.393 12.712 8.999 1.00 0.00 H new ATOM 700 N THR A 48 2.965 6.941 9.039 1.00 0.00 N ATOM 701 CA THR A 48 3.544 6.166 10.123 1.00 0.00 C ATOM 702 C THR A 48 2.957 4.753 10.141 1.00 0.00 C ATOM 703 O THR A 48 2.330 4.325 9.173 1.00 0.00 O ATOM 704 CB THR A 48 3.318 6.935 11.427 1.00 0.00 C ATOM 705 OG1 THR A 48 1.899 7.014 11.542 1.00 0.00 O ATOM 706 CG2 THR A 48 3.766 8.395 11.331 1.00 0.00 C ATOM 0 H THR A 48 2.034 7.312 9.230 1.00 0.00 H new ATOM 0 HA THR A 48 4.618 6.036 9.987 1.00 0.00 H new ATOM 0 HB THR A 48 3.857 6.443 12.237 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.664 7.496 12.362 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.584 8.895 12.282 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.830 8.435 11.098 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.204 8.897 10.544 1.00 0.00 H new ATOM 714 N GLN A 49 3.182 4.068 11.253 1.00 0.00 N ATOM 715 CA GLN A 49 2.683 2.712 11.410 1.00 0.00 C ATOM 716 C GLN A 49 1.334 2.723 12.130 1.00 0.00 C ATOM 717 O GLN A 49 0.353 2.179 11.626 1.00 0.00 O ATOM 718 CB GLN A 49 3.695 1.839 12.154 1.00 0.00 C ATOM 719 CG GLN A 49 3.123 0.446 12.424 1.00 0.00 C ATOM 720 CD GLN A 49 2.947 0.207 13.925 1.00 0.00 C ATOM 721 OE1 GLN A 49 3.786 0.558 14.738 1.00 0.00 O ATOM 722 NE2 GLN A 49 1.812 -0.408 14.245 1.00 0.00 N ATOM 0 H GLN A 49 3.703 4.426 12.053 1.00 0.00 H new ATOM 0 HA GLN A 49 2.540 2.281 10.419 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.609 1.753 11.566 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.966 2.314 13.097 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.162 0.340 11.920 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.787 -0.311 12.007 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.153 -0.675 13.514 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.601 -0.613 15.222 1.00 0.00 H new ATOM 731 N GLY A 50 1.327 3.348 13.298 1.00 0.00 N ATOM 732 CA GLY A 50 0.114 3.437 14.093 1.00 0.00 C ATOM 733 C GLY A 50 -1.091 3.784 13.217 1.00 0.00 C ATOM 734 O GLY A 50 -2.226 3.451 13.555 1.00 0.00 O ATOM 0 H GLY A 50 2.143 3.798 13.713 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.062 2.489 14.601 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.236 4.195 14.866 1.00 0.00 H new ATOM 738 N LEU A 51 -0.804 4.450 12.108 1.00 0.00 N ATOM 739 CA LEU A 51 -1.850 4.846 11.180 1.00 0.00 C ATOM 740 C LEU A 51 -2.164 3.678 10.243 1.00 0.00 C ATOM 741 O LEU A 51 -3.262 3.123 10.284 1.00 0.00 O ATOM 742 CB LEU A 51 -1.460 6.132 10.450 1.00 0.00 C ATOM 743 CG LEU A 51 -2.297 6.485 9.218 1.00 0.00 C ATOM 744 CD1 LEU A 51 -1.655 5.933 7.944 1.00 0.00 C ATOM 745 CD2 LEU A 51 -3.742 6.011 9.384 1.00 0.00 C ATOM 0 H LEU A 51 0.138 4.725 11.831 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.769 5.079 11.719 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.522 6.960 11.156 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.417 6.051 10.145 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.323 7.570 9.121 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.269 6.197 7.083 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.659 6.360 7.824 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.579 4.848 8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.316 6.274 8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.757 4.929 9.519 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.185 6.491 10.257 1.00 0.00 H new ATOM 757 N LEU A 52 -1.182 3.339 9.422 1.00 0.00 N ATOM 758 CA LEU A 52 -1.340 2.247 8.476 1.00 0.00 C ATOM 759 C LEU A 52 -2.014 1.065 9.177 1.00 0.00 C ATOM 760 O LEU A 52 -2.792 0.337 8.562 1.00 0.00 O ATOM 761 CB LEU A 52 0.004 1.896 7.834 1.00 0.00 C ATOM 762 CG LEU A 52 0.042 0.596 7.027 1.00 0.00 C ATOM 763 CD1 LEU A 52 -0.984 0.626 5.892 1.00 0.00 C ATOM 764 CD2 LEU A 52 1.455 0.310 6.515 1.00 0.00 C ATOM 0 H LEU A 52 -0.273 3.801 9.392 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.991 2.545 7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.296 2.716 7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.755 1.834 8.621 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.233 -0.226 7.688 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.937 -0.309 5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.984 0.750 6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.763 1.459 5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.454 -0.619 5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.782 1.129 5.874 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.136 0.216 7.361 1.00 0.00 H new ATOM 776 N SER A 53 -1.692 0.912 10.452 1.00 0.00 N ATOM 777 CA SER A 53 -2.257 -0.169 11.243 1.00 0.00 C ATOM 778 C SER A 53 -3.775 -0.007 11.339 1.00 0.00 C ATOM 779 O SER A 53 -4.523 -0.927 11.012 1.00 0.00 O ATOM 780 CB SER A 53 -1.637 -0.211 12.641 1.00 0.00 C ATOM 781 OG SER A 53 -1.878 -1.454 13.294 1.00 0.00 O ATOM 0 H SER A 53 -1.047 1.518 10.958 1.00 0.00 H new ATOM 0 HA SER A 53 -2.029 -1.112 10.747 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.563 -0.043 12.566 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.046 0.600 13.243 1.00 0.00 H new ATOM 0 HG SER A 53 -1.465 -1.442 14.183 1.00 0.00 H new ATOM 787 N GLU A 54 -4.185 1.169 11.791 1.00 0.00 N ATOM 788 CA GLU A 54 -5.601 1.463 11.935 1.00 0.00 C ATOM 789 C GLU A 54 -6.321 1.278 10.598 1.00 0.00 C ATOM 790 O GLU A 54 -7.490 0.897 10.565 1.00 0.00 O ATOM 791 CB GLU A 54 -5.815 2.875 12.482 1.00 0.00 C ATOM 792 CG GLU A 54 -6.047 3.874 11.347 1.00 0.00 C ATOM 793 CD GLU A 54 -5.808 5.309 11.821 1.00 0.00 C ATOM 794 OE1 GLU A 54 -5.030 5.465 12.787 1.00 0.00 O ATOM 795 OE2 GLU A 54 -6.409 6.217 11.207 1.00 0.00 O ATOM 0 H GLU A 54 -3.562 1.929 12.062 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.026 0.762 12.654 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.671 2.881 13.157 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.946 3.178 13.066 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.380 3.646 10.516 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.066 3.776 10.974 1.00 0.00 H new ATOM 802 N ILE A 55 -5.592 1.557 9.527 1.00 0.00 N ATOM 803 CA ILE A 55 -6.146 1.426 8.190 1.00 0.00 C ATOM 804 C ILE A 55 -6.352 -0.056 7.871 1.00 0.00 C ATOM 805 O ILE A 55 -7.348 -0.429 7.253 1.00 0.00 O ATOM 806 CB ILE A 55 -5.268 2.158 7.172 1.00 0.00 C ATOM 807 CG1 ILE A 55 -5.383 3.674 7.339 1.00 0.00 C ATOM 808 CG2 ILE A 55 -5.595 1.712 5.746 1.00 0.00 C ATOM 809 CD1 ILE A 55 -4.223 4.392 6.647 1.00 0.00 C ATOM 0 H ILE A 55 -4.623 1.873 9.558 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.124 1.904 8.135 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.228 1.891 7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.329 4.019 6.922 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.391 3.927 8.399 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.957 2.247 5.042 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.421 0.640 5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.640 1.931 5.527 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.329 5.468 6.781 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.280 4.063 7.083 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.232 4.156 5.583 1.00 0.00 H new ATOM 821 N LEU A 56 -5.395 -0.862 8.307 1.00 0.00 N ATOM 822 CA LEU A 56 -5.459 -2.295 8.075 1.00 0.00 C ATOM 823 C LEU A 56 -6.447 -2.922 9.060 1.00 0.00 C ATOM 824 O LEU A 56 -6.882 -4.057 8.870 1.00 0.00 O ATOM 825 CB LEU A 56 -4.059 -2.910 8.132 1.00 0.00 C ATOM 826 CG LEU A 56 -3.041 -2.352 7.136 1.00 0.00 C ATOM 827 CD1 LEU A 56 -1.610 -2.626 7.604 1.00 0.00 C ATOM 828 CD2 LEU A 56 -3.297 -2.894 5.729 1.00 0.00 C ATOM 0 H LEU A 56 -4.571 -0.550 8.820 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.832 -2.503 7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.665 -2.774 9.139 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.148 -3.984 7.967 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.164 -1.270 7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.906 -2.219 6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.447 -2.153 8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.457 -3.701 7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.559 -2.482 5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.217 -3.981 5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.297 -2.606 5.405 1.00 0.00 H new ATOM 840 N ARG A 57 -6.772 -2.157 10.092 1.00 0.00 N ATOM 841 CA ARG A 57 -7.701 -2.623 11.107 1.00 0.00 C ATOM 842 C ARG A 57 -9.129 -2.200 10.756 1.00 0.00 C ATOM 843 O ARG A 57 -10.065 -2.984 10.898 1.00 0.00 O ATOM 844 CB ARG A 57 -7.336 -2.067 12.485 1.00 0.00 C ATOM 845 CG ARG A 57 -6.141 -2.816 13.079 1.00 0.00 C ATOM 846 CD ARG A 57 -6.453 -3.311 14.493 1.00 0.00 C ATOM 847 NE ARG A 57 -7.299 -4.523 14.431 1.00 0.00 N ATOM 848 CZ ARG A 57 -7.469 -5.374 15.451 1.00 0.00 C ATOM 849 NH1 ARG A 57 -6.852 -5.151 16.620 1.00 0.00 N ATOM 850 NH2 ARG A 57 -8.257 -6.448 15.304 1.00 0.00 N ATOM 0 H ARG A 57 -6.408 -1.217 10.247 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.638 -3.711 11.138 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.100 -1.006 12.402 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.192 -2.152 13.154 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.884 -3.662 12.442 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.271 -2.160 13.103 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.526 -3.531 15.022 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.964 -2.530 15.056 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.783 -4.723 13.556 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.253 -4.333 16.733 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.982 -5.799 17.397 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.727 -6.617 14.415 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.386 -7.096 16.081 1.00 0.00 H new ATOM 864 N LYS A 58 -9.250 -0.960 10.304 1.00 0.00 N ATOM 865 CA LYS A 58 -10.547 -0.423 9.931 1.00 0.00 C ATOM 866 C LYS A 58 -10.837 -0.770 8.469 1.00 0.00 C ATOM 867 O LYS A 58 -11.962 -1.131 8.125 1.00 0.00 O ATOM 868 CB LYS A 58 -10.613 1.076 10.232 1.00 0.00 C ATOM 869 CG LYS A 58 -10.476 1.340 11.733 1.00 0.00 C ATOM 870 CD LYS A 58 -10.107 2.801 12.000 1.00 0.00 C ATOM 871 CE LYS A 58 -9.651 2.995 13.448 1.00 0.00 C ATOM 872 NZ LYS A 58 -10.609 3.851 14.183 1.00 0.00 N ATOM 0 H LYS A 58 -8.471 -0.312 10.188 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.335 -0.880 10.530 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.819 1.594 9.694 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.559 1.482 9.873 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.413 1.100 12.235 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.712 0.685 12.153 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.313 3.109 11.320 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.966 3.440 11.797 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.566 2.027 13.942 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.660 3.449 13.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.285 3.972 15.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.669 4.781 13.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.547 3.402 14.182 1.00 0.00 H new ATOM 886 N GLU A 59 -9.804 -0.649 7.649 1.00 0.00 N ATOM 887 CA GLU A 59 -9.934 -0.945 6.233 1.00 0.00 C ATOM 888 C GLU A 59 -10.993 -0.042 5.596 1.00 0.00 C ATOM 889 O GLU A 59 -11.835 -0.511 4.832 1.00 0.00 O ATOM 890 CB GLU A 59 -10.267 -2.422 6.010 1.00 0.00 C ATOM 891 CG GLU A 59 -9.043 -3.304 6.266 1.00 0.00 C ATOM 892 CD GLU A 59 -9.136 -4.612 5.477 1.00 0.00 C ATOM 893 OE1 GLU A 59 -9.573 -4.540 4.308 1.00 0.00 O ATOM 894 OE2 GLU A 59 -8.767 -5.654 6.061 1.00 0.00 O ATOM 0 H GLU A 59 -8.873 -0.350 7.938 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.977 -0.745 5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.079 -2.720 6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.619 -2.569 4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.138 -2.767 5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.964 -3.522 7.331 1.00 0.00 H new ATOM 901 N GLU A 60 -10.916 1.236 5.935 1.00 0.00 N ATOM 902 CA GLU A 60 -11.857 2.209 5.407 1.00 0.00 C ATOM 903 C GLU A 60 -11.996 2.044 3.892 1.00 0.00 C ATOM 904 O GLU A 60 -11.106 2.432 3.137 1.00 0.00 O ATOM 905 CB GLU A 60 -11.433 3.634 5.766 1.00 0.00 C ATOM 906 CG GLU A 60 -12.377 4.242 6.805 1.00 0.00 C ATOM 907 CD GLU A 60 -12.698 5.699 6.468 1.00 0.00 C ATOM 908 OE1 GLU A 60 -11.731 6.449 6.215 1.00 0.00 O ATOM 909 OE2 GLU A 60 -13.904 6.030 6.472 1.00 0.00 O ATOM 0 H GLU A 60 -10.216 1.621 6.569 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.830 2.029 5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.415 3.627 6.155 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.427 4.253 4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.299 3.663 6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.921 4.186 7.793 1.00 0.00 H new ATOM 916 N ASP A 61 -13.120 1.467 3.492 1.00 0.00 N ATOM 917 CA ASP A 61 -13.387 1.246 2.081 1.00 0.00 C ATOM 918 C ASP A 61 -12.996 2.496 1.291 1.00 0.00 C ATOM 919 O ASP A 61 -13.252 3.617 1.728 1.00 0.00 O ATOM 920 CB ASP A 61 -14.874 0.978 1.838 1.00 0.00 C ATOM 921 CG ASP A 61 -15.562 0.129 2.908 1.00 0.00 C ATOM 922 OD1 ASP A 61 -15.535 -1.111 2.754 1.00 0.00 O ATOM 923 OD2 ASP A 61 -16.100 0.740 3.857 1.00 0.00 O ATOM 0 H ASP A 61 -13.856 1.146 4.121 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.807 0.381 1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.393 1.934 1.765 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.985 0.481 0.874 1.00 0.00 H new ATOM 928 N PRO A 62 -12.367 2.256 0.109 1.00 0.00 N ATOM 929 CA PRO A 62 -11.938 3.349 -0.746 1.00 0.00 C ATOM 930 C PRO A 62 -13.130 3.979 -1.470 1.00 0.00 C ATOM 931 O PRO A 62 -12.964 4.917 -2.247 1.00 0.00 O ATOM 932 CB PRO A 62 -10.925 2.731 -1.696 1.00 0.00 C ATOM 933 CG PRO A 62 -11.167 1.232 -1.645 1.00 0.00 C ATOM 934 CD PRO A 62 -12.047 0.942 -0.441 1.00 0.00 C ATOM 0 HA PRO A 62 -11.490 4.170 -0.186 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.055 3.113 -2.708 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.906 2.973 -1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.650 0.892 -2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.222 0.695 -1.565 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.949 0.403 -0.731 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.527 0.323 0.290 1.00 0.00 H new ATOM 942 N ARG A 63 -14.306 3.436 -1.189 1.00 0.00 N ATOM 943 CA ARG A 63 -15.525 3.933 -1.804 1.00 0.00 C ATOM 944 C ARG A 63 -16.122 5.063 -0.962 1.00 0.00 C ATOM 945 O ARG A 63 -16.686 6.013 -1.503 1.00 0.00 O ATOM 946 CB ARG A 63 -16.561 2.817 -1.953 1.00 0.00 C ATOM 947 CG ARG A 63 -16.068 1.738 -2.920 1.00 0.00 C ATOM 948 CD ARG A 63 -16.329 2.142 -4.372 1.00 0.00 C ATOM 949 NE ARG A 63 -17.161 1.117 -5.041 1.00 0.00 N ATOM 950 CZ ARG A 63 -17.825 1.319 -6.187 1.00 0.00 C ATOM 951 NH1 ARG A 63 -17.759 2.510 -6.799 1.00 0.00 N ATOM 952 NH2 ARG A 63 -18.556 0.331 -6.722 1.00 0.00 N ATOM 0 H ARG A 63 -14.440 2.657 -0.544 1.00 0.00 H new ATOM 0 HA ARG A 63 -15.267 4.309 -2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -16.765 2.372 -0.979 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -17.501 3.234 -2.316 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.001 1.572 -2.771 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.571 0.795 -2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -16.832 3.108 -4.404 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -15.383 2.257 -4.902 1.00 0.00 H new ATOM 0 HE ARG A 63 -17.233 0.199 -4.602 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -17.203 3.262 -6.392 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -18.265 2.664 -7.671 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -18.607 -0.575 -6.257 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -19.061 0.485 -7.594 1.00 0.00 H new ATOM 966 N THR A 64 -15.976 4.923 0.347 1.00 0.00 N ATOM 967 CA THR A 64 -16.494 5.920 1.269 1.00 0.00 C ATOM 968 C THR A 64 -15.344 6.624 1.993 1.00 0.00 C ATOM 969 O THR A 64 -15.524 7.711 2.541 1.00 0.00 O ATOM 970 CB THR A 64 -17.474 5.225 2.216 1.00 0.00 C ATOM 971 OG1 THR A 64 -16.665 4.298 2.934 1.00 0.00 O ATOM 972 CG2 THR A 64 -18.480 4.344 1.474 1.00 0.00 C ATOM 0 H THR A 64 -15.506 4.134 0.792 1.00 0.00 H new ATOM 0 HA THR A 64 -17.034 6.706 0.740 1.00 0.00 H new ATOM 0 HB THR A 64 -18.009 5.975 2.799 1.00 0.00 H new ATOM 0 HG1 THR A 64 -17.221 3.805 3.573 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.152 3.874 2.193 1.00 0.00 H new ATOM 0 HG22 THR A 64 -19.059 4.956 0.782 1.00 0.00 H new ATOM 0 HG23 THR A 64 -17.947 3.573 0.918 1.00 0.00 H new ATOM 980 N ALA A 65 -14.189 5.976 1.973 1.00 0.00 N ATOM 981 CA ALA A 65 -13.011 6.526 2.621 1.00 0.00 C ATOM 982 C ALA A 65 -12.952 8.034 2.368 1.00 0.00 C ATOM 983 O ALA A 65 -13.330 8.502 1.295 1.00 0.00 O ATOM 984 CB ALA A 65 -11.763 5.800 2.113 1.00 0.00 C ATOM 0 H ALA A 65 -14.044 5.075 1.518 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.060 6.375 3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.879 6.213 2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.841 4.737 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.679 5.932 1.034 1.00 0.00 H new ATOM 990 N SER A 66 -12.475 8.752 3.374 1.00 0.00 N ATOM 991 CA SER A 66 -12.362 10.197 3.274 1.00 0.00 C ATOM 992 C SER A 66 -11.116 10.570 2.468 1.00 0.00 C ATOM 993 O SER A 66 -10.126 9.840 2.476 1.00 0.00 O ATOM 994 CB SER A 66 -12.310 10.843 4.660 1.00 0.00 C ATOM 995 OG SER A 66 -13.578 11.357 5.057 1.00 0.00 O ATOM 0 H SER A 66 -12.162 8.360 4.262 1.00 0.00 H new ATOM 0 HA SER A 66 -13.246 10.574 2.760 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.972 10.108 5.390 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.577 11.649 4.657 1.00 0.00 H new ATOM 0 HG SER A 66 -13.504 11.760 5.947 1.00 0.00 H new ATOM 1001 N GLN A 67 -11.206 11.706 1.791 1.00 0.00 N ATOM 1002 CA GLN A 67 -10.098 12.184 0.982 1.00 0.00 C ATOM 1003 C GLN A 67 -8.772 11.961 1.712 1.00 0.00 C ATOM 1004 O GLN A 67 -7.813 11.461 1.125 1.00 0.00 O ATOM 1005 CB GLN A 67 -10.282 13.659 0.618 1.00 0.00 C ATOM 1006 CG GLN A 67 -10.757 13.812 -0.829 1.00 0.00 C ATOM 1007 CD GLN A 67 -11.596 15.080 -0.999 1.00 0.00 C ATOM 1008 OE1 GLN A 67 -11.926 15.769 -0.048 1.00 0.00 O ATOM 1009 NE2 GLN A 67 -11.921 15.348 -2.261 1.00 0.00 N ATOM 0 H GLN A 67 -12.029 12.309 1.786 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.079 11.614 0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.006 14.116 1.292 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.340 14.191 0.754 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.896 13.849 -1.496 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.346 12.941 -1.116 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -11.611 14.729 -3.010 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.480 16.173 -2.480 1.00 0.00 H new ATOM 1018 N SER A 68 -8.760 12.342 2.980 1.00 0.00 N ATOM 1019 CA SER A 68 -7.567 12.190 3.796 1.00 0.00 C ATOM 1020 C SER A 68 -7.006 10.775 3.643 1.00 0.00 C ATOM 1021 O SER A 68 -5.801 10.597 3.469 1.00 0.00 O ATOM 1022 CB SER A 68 -7.865 12.486 5.268 1.00 0.00 C ATOM 1023 OG SER A 68 -8.569 13.714 5.433 1.00 0.00 O ATOM 0 H SER A 68 -9.557 12.756 3.463 1.00 0.00 H new ATOM 0 HA SER A 68 -6.823 12.909 3.452 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.453 11.671 5.690 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.930 12.526 5.826 1.00 0.00 H new ATOM 0 HG SER A 68 -8.742 13.867 6.385 1.00 0.00 H new ATOM 1029 N LEU A 69 -7.905 9.805 3.713 1.00 0.00 N ATOM 1030 CA LEU A 69 -7.514 8.411 3.584 1.00 0.00 C ATOM 1031 C LEU A 69 -7.270 8.089 2.109 1.00 0.00 C ATOM 1032 O LEU A 69 -6.205 7.593 1.746 1.00 0.00 O ATOM 1033 CB LEU A 69 -8.549 7.501 4.250 1.00 0.00 C ATOM 1034 CG LEU A 69 -7.989 6.320 5.045 1.00 0.00 C ATOM 1035 CD1 LEU A 69 -9.044 5.750 5.995 1.00 0.00 C ATOM 1036 CD2 LEU A 69 -7.421 5.249 4.111 1.00 0.00 C ATOM 0 H LEU A 69 -8.903 9.956 3.857 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.577 8.227 4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.160 8.107 4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.212 7.112 3.478 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.164 6.682 5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.621 4.912 6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.360 6.524 6.695 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.904 5.408 5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.030 4.421 4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.210 4.884 3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.618 5.678 3.511 1.00 0.00 H new ATOM 1048 N LEU A 70 -8.275 8.385 1.297 1.00 0.00 N ATOM 1049 CA LEU A 70 -8.183 8.132 -0.131 1.00 0.00 C ATOM 1050 C LEU A 70 -6.808 8.576 -0.635 1.00 0.00 C ATOM 1051 O LEU A 70 -6.175 7.874 -1.422 1.00 0.00 O ATOM 1052 CB LEU A 70 -9.350 8.792 -0.868 1.00 0.00 C ATOM 1053 CG LEU A 70 -10.581 7.912 -1.097 1.00 0.00 C ATOM 1054 CD1 LEU A 70 -11.767 8.746 -1.585 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -10.261 6.758 -2.049 1.00 0.00 C ATOM 0 H LEU A 70 -9.157 8.798 1.601 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.269 7.065 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.657 9.674 -0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.992 9.141 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.868 7.471 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.629 8.097 -1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.012 9.502 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.507 9.234 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.153 6.148 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.934 7.158 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.467 6.144 -1.623 1.00 0.00 H new ATOM 1067 N VAL A 71 -6.386 9.739 -0.161 1.00 0.00 N ATOM 1068 CA VAL A 71 -5.098 10.285 -0.553 1.00 0.00 C ATOM 1069 C VAL A 71 -4.014 9.226 -0.341 1.00 0.00 C ATOM 1070 O VAL A 71 -3.138 9.052 -1.186 1.00 0.00 O ATOM 1071 CB VAL A 71 -4.825 11.582 0.210 1.00 0.00 C ATOM 1072 CG1 VAL A 71 -3.321 11.840 0.332 1.00 0.00 C ATOM 1073 CG2 VAL A 71 -5.533 12.767 -0.450 1.00 0.00 C ATOM 0 H VAL A 71 -6.914 10.319 0.491 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.098 10.542 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.229 11.470 1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.154 12.768 0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.852 11.014 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.884 11.921 -0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.322 13.676 0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.174 12.882 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.608 12.588 -0.461 1.00 0.00 H new ATOM 1083 N ASN A 72 -4.109 8.548 0.793 1.00 0.00 N ATOM 1084 CA ASN A 72 -3.148 7.511 1.127 1.00 0.00 C ATOM 1085 C ASN A 72 -3.462 6.250 0.319 1.00 0.00 C ATOM 1086 O ASN A 72 -2.568 5.653 -0.279 1.00 0.00 O ATOM 1087 CB ASN A 72 -3.220 7.151 2.613 1.00 0.00 C ATOM 1088 CG ASN A 72 -2.808 8.338 3.485 1.00 0.00 C ATOM 1089 OD1 ASN A 72 -1.806 8.994 3.254 1.00 0.00 O ATOM 1090 ND2 ASN A 72 -3.635 8.576 4.499 1.00 0.00 N ATOM 0 H ASN A 72 -4.837 8.697 1.492 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.152 7.888 0.895 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.234 6.843 2.867 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.568 6.302 2.817 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.447 9.347 5.140 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.457 7.988 4.636 1.00 0.00 H new ATOM 1097 N LEU A 73 -4.735 5.882 0.328 1.00 0.00 N ATOM 1098 CA LEU A 73 -5.178 4.703 -0.397 1.00 0.00 C ATOM 1099 C LEU A 73 -4.660 4.769 -1.835 1.00 0.00 C ATOM 1100 O LEU A 73 -4.125 3.789 -2.351 1.00 0.00 O ATOM 1101 CB LEU A 73 -6.697 4.553 -0.297 1.00 0.00 C ATOM 1102 CG LEU A 73 -7.281 4.562 1.118 1.00 0.00 C ATOM 1103 CD1 LEU A 73 -8.804 4.428 1.083 1.00 0.00 C ATOM 1104 CD2 LEU A 73 -6.630 3.483 1.986 1.00 0.00 C ATOM 0 H LEU A 73 -5.473 6.379 0.826 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.761 3.801 0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.160 5.360 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.982 3.619 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.053 5.525 1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.194 4.437 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.230 5.261 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.076 3.490 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.063 3.511 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.806 2.503 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.557 3.665 2.050 1.00 0.00 H new ATOM 1116 N ARG A 74 -4.837 5.934 -2.441 1.00 0.00 N ATOM 1117 CA ARG A 74 -4.394 6.141 -3.809 1.00 0.00 C ATOM 1118 C ARG A 74 -2.872 6.010 -3.900 1.00 0.00 C ATOM 1119 O ARG A 74 -2.354 5.364 -4.809 1.00 0.00 O ATOM 1120 CB ARG A 74 -4.812 7.521 -4.321 1.00 0.00 C ATOM 1121 CG ARG A 74 -6.283 7.527 -4.740 1.00 0.00 C ATOM 1122 CD ARG A 74 -6.863 8.942 -4.686 1.00 0.00 C ATOM 1123 NE ARG A 74 -8.284 8.924 -5.096 1.00 0.00 N ATOM 1124 CZ ARG A 74 -9.120 9.962 -4.959 1.00 0.00 C ATOM 1125 NH1 ARG A 74 -8.682 11.108 -4.420 1.00 0.00 N ATOM 1126 NH2 ARG A 74 -10.394 9.854 -5.359 1.00 0.00 N ATOM 0 H ARG A 74 -5.281 6.744 -2.009 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.865 5.378 -4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.649 8.266 -3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.187 7.803 -5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.379 7.129 -5.750 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.854 6.871 -4.084 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.773 9.342 -3.676 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.295 9.602 -5.342 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.651 8.067 -5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.712 11.190 -4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.318 11.898 -4.316 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.728 8.981 -5.768 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.030 10.644 -5.254 1.00 0.00 H new ATOM 1140 N ALA A 75 -2.199 6.634 -2.945 1.00 0.00 N ATOM 1141 CA ALA A 75 -0.747 6.596 -2.905 1.00 0.00 C ATOM 1142 C ALA A 75 -0.283 5.144 -2.769 1.00 0.00 C ATOM 1143 O ALA A 75 0.542 4.676 -3.552 1.00 0.00 O ATOM 1144 CB ALA A 75 -0.243 7.479 -1.762 1.00 0.00 C ATOM 0 H ALA A 75 -2.632 7.169 -2.193 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.327 6.991 -3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.846 7.450 -1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.574 8.505 -1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.641 7.112 -0.816 1.00 0.00 H new ATOM 1150 N MET A 76 -0.833 4.472 -1.768 1.00 0.00 N ATOM 1151 CA MET A 76 -0.486 3.084 -1.519 1.00 0.00 C ATOM 1152 C MET A 76 -0.553 2.262 -2.808 1.00 0.00 C ATOM 1153 O MET A 76 0.452 1.706 -3.248 1.00 0.00 O ATOM 1154 CB MET A 76 -1.448 2.494 -0.487 1.00 0.00 C ATOM 1155 CG MET A 76 -1.051 2.907 0.932 1.00 0.00 C ATOM 1156 SD MET A 76 -2.168 2.175 2.116 1.00 0.00 S ATOM 1157 CE MET A 76 -3.194 3.587 2.489 1.00 0.00 C ATOM 0 H MET A 76 -1.517 4.864 -1.120 1.00 0.00 H new ATOM 0 HA MET A 76 0.535 3.047 -1.139 1.00 0.00 H new ATOM 0 HB2 MET A 76 -2.463 2.831 -0.697 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.450 1.407 -0.566 1.00 0.00 H new ATOM 0 HG2 MET A 76 -0.029 2.590 1.139 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.072 3.993 1.023 1.00 0.00 H new ATOM 0 HE1 MET A 76 -4.063 3.264 3.062 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.622 4.308 3.073 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.524 4.052 1.560 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.748 2.211 -3.378 1.00 0.00 N ATOM 1168 CA GLN A 77 -1.960 1.467 -4.608 1.00 0.00 C ATOM 1169 C GLN A 77 -0.918 1.865 -5.655 1.00 0.00 C ATOM 1170 O GLN A 77 -0.466 1.028 -6.435 1.00 0.00 O ATOM 1171 CB GLN A 77 -3.379 1.677 -5.138 1.00 0.00 C ATOM 1172 CG GLN A 77 -3.552 1.031 -6.515 1.00 0.00 C ATOM 1173 CD GLN A 77 -4.524 -0.149 -6.449 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -5.586 -0.145 -7.048 1.00 0.00 O ATOM 1175 NE2 GLN A 77 -4.101 -1.156 -5.689 1.00 0.00 N ATOM 0 H GLN A 77 -2.580 2.673 -3.011 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.842 0.405 -4.393 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.099 1.250 -4.439 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.592 2.744 -5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.921 1.772 -7.224 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.585 0.690 -6.885 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.200 -1.094 -5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.678 -1.990 -5.581 1.00 0.00 H new ATOM 1184 N ASN A 78 -0.568 3.142 -5.639 1.00 0.00 N ATOM 1185 CA ASN A 78 0.412 3.662 -6.578 1.00 0.00 C ATOM 1186 C ASN A 78 1.784 3.067 -6.257 1.00 0.00 C ATOM 1187 O ASN A 78 2.652 2.995 -7.125 1.00 0.00 O ATOM 1188 CB ASN A 78 0.520 5.184 -6.476 1.00 0.00 C ATOM 1189 CG ASN A 78 0.307 5.842 -7.840 1.00 0.00 C ATOM 1190 OD1 ASN A 78 0.556 5.261 -8.884 1.00 0.00 O ATOM 1191 ND2 ASN A 78 -0.167 7.083 -7.775 1.00 0.00 N ATOM 0 H ASN A 78 -0.945 3.833 -4.990 1.00 0.00 H new ATOM 0 HA ASN A 78 0.092 3.391 -7.584 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.220 5.558 -5.769 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.500 5.457 -6.086 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.344 7.607 -8.632 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.354 7.511 -6.868 1.00 0.00 H new ATOM 1198 N PHE A 79 1.938 2.657 -5.006 1.00 0.00 N ATOM 1199 CA PHE A 79 3.191 2.072 -4.559 1.00 0.00 C ATOM 1200 C PHE A 79 3.159 0.547 -4.685 1.00 0.00 C ATOM 1201 O PHE A 79 4.199 -0.086 -4.861 1.00 0.00 O ATOM 1202 CB PHE A 79 3.358 2.446 -3.085 1.00 0.00 C ATOM 1203 CG PHE A 79 4.594 1.833 -2.424 1.00 0.00 C ATOM 1204 CD1 PHE A 79 5.794 2.469 -2.502 1.00 0.00 C ATOM 1205 CD2 PHE A 79 4.494 0.651 -1.759 1.00 0.00 C ATOM 1206 CE1 PHE A 79 6.941 1.899 -1.889 1.00 0.00 C ATOM 1207 CE2 PHE A 79 5.641 0.081 -1.145 1.00 0.00 C ATOM 1208 CZ PHE A 79 6.840 0.718 -1.224 1.00 0.00 C ATOM 0 H PHE A 79 1.216 2.718 -4.288 1.00 0.00 H new ATOM 0 HA PHE A 79 4.014 2.444 -5.169 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.414 3.531 -3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.471 2.129 -2.537 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.874 3.408 -3.030 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.542 0.145 -1.698 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.894 2.404 -1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.561 -0.857 -0.616 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.713 0.285 -0.758 1.00 0.00 H new ATOM 1218 N LEU A 80 1.955 0.002 -4.591 1.00 0.00 N ATOM 1219 CA LEU A 80 1.774 -1.436 -4.692 1.00 0.00 C ATOM 1220 C LEU A 80 1.768 -1.842 -6.167 1.00 0.00 C ATOM 1221 O LEU A 80 1.998 -3.005 -6.496 1.00 0.00 O ATOM 1222 CB LEU A 80 0.523 -1.874 -3.928 1.00 0.00 C ATOM 1223 CG LEU A 80 0.531 -1.610 -2.421 1.00 0.00 C ATOM 1224 CD1 LEU A 80 -0.846 -1.879 -1.811 1.00 0.00 C ATOM 1225 CD2 LEU A 80 1.632 -2.415 -1.729 1.00 0.00 C ATOM 0 H LEU A 80 1.095 0.531 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 80 2.606 -1.959 -4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.339 -1.367 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.379 -2.942 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 80 0.755 -0.555 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.813 -1.684 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.584 -1.226 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.123 -2.919 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.616 -2.209 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.465 -3.479 -1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.602 -2.132 -2.138 1.00 0.00 H new ATOM 1237 N ASN A 81 1.502 -0.861 -7.017 1.00 0.00 N ATOM 1238 CA ASN A 81 1.463 -1.101 -8.450 1.00 0.00 C ATOM 1239 C ASN A 81 2.846 -0.833 -9.046 1.00 0.00 C ATOM 1240 O ASN A 81 3.004 -0.793 -10.265 1.00 0.00 O ATOM 1241 CB ASN A 81 0.463 -0.170 -9.137 1.00 0.00 C ATOM 1242 CG ASN A 81 0.980 1.270 -9.158 1.00 0.00 C ATOM 1243 OD1 ASN A 81 2.144 1.543 -8.914 1.00 0.00 O ATOM 1244 ND2 ASN A 81 0.052 2.174 -9.462 1.00 0.00 N ATOM 0 H ASN A 81 1.311 0.102 -6.741 1.00 0.00 H new ATOM 0 HA ASN A 81 1.161 -2.136 -8.610 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.284 -0.511 -10.157 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.493 -0.209 -8.616 1.00 0.00 H new ATOM 0 HD21 ASN A 81 0.297 3.163 -9.502 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.905 1.878 -9.656 1.00 0.00 H new ATOM 1251 N LEU A 82 3.814 -0.656 -8.158 1.00 0.00 N ATOM 1252 CA LEU A 82 5.179 -0.393 -8.581 1.00 0.00 C ATOM 1253 C LEU A 82 5.877 -1.719 -8.890 1.00 0.00 C ATOM 1254 O LEU A 82 5.391 -2.783 -8.512 1.00 0.00 O ATOM 1255 CB LEU A 82 5.908 0.458 -7.539 1.00 0.00 C ATOM 1256 CG LEU A 82 5.725 1.972 -7.662 1.00 0.00 C ATOM 1257 CD1 LEU A 82 6.634 2.716 -6.682 1.00 0.00 C ATOM 1258 CD2 LEU A 82 5.939 2.434 -9.105 1.00 0.00 C ATOM 0 H LEU A 82 3.680 -0.690 -7.147 1.00 0.00 H new ATOM 0 HA LEU A 82 5.187 0.193 -9.500 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.572 0.151 -6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.973 0.235 -7.598 1.00 0.00 H new ATOM 0 HG LEU A 82 4.697 2.215 -7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.484 3.790 -6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.392 2.417 -5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.675 2.472 -6.894 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.803 3.514 -9.165 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.949 2.177 -9.423 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.217 1.941 -9.756 1.00 0.00 H new ATOM 1270 N PRO A 83 7.036 -1.607 -9.593 1.00 0.00 N ATOM 1271 CA PRO A 83 7.806 -2.785 -9.957 1.00 0.00 C ATOM 1272 C PRO A 83 8.553 -3.347 -8.746 1.00 0.00 C ATOM 1273 O PRO A 83 9.150 -2.596 -7.977 1.00 0.00 O ATOM 1274 CB PRO A 83 8.736 -2.319 -11.065 1.00 0.00 C ATOM 1275 CG PRO A 83 8.782 -0.803 -10.961 1.00 0.00 C ATOM 1276 CD PRO A 83 7.642 -0.363 -10.057 1.00 0.00 C ATOM 0 HA PRO A 83 7.180 -3.608 -10.301 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.731 -2.749 -10.947 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.368 -2.632 -12.042 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.739 -0.477 -10.554 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.684 -0.350 -11.947 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.007 0.235 -9.222 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.922 0.251 -10.598 1.00 0.00 H new ATOM 1284 N GLU A 84 8.496 -4.665 -8.616 1.00 0.00 N ATOM 1285 CA GLU A 84 9.160 -5.337 -7.512 1.00 0.00 C ATOM 1286 C GLU A 84 10.554 -4.746 -7.292 1.00 0.00 C ATOM 1287 O GLU A 84 10.953 -4.492 -6.156 1.00 0.00 O ATOM 1288 CB GLU A 84 9.236 -6.845 -7.754 1.00 0.00 C ATOM 1289 CG GLU A 84 9.951 -7.551 -6.600 1.00 0.00 C ATOM 1290 CD GLU A 84 10.107 -9.046 -6.884 1.00 0.00 C ATOM 1291 OE1 GLU A 84 9.115 -9.640 -7.360 1.00 0.00 O ATOM 1292 OE2 GLU A 84 11.214 -9.562 -6.619 1.00 0.00 O ATOM 0 H GLU A 84 8.000 -5.285 -9.257 1.00 0.00 H new ATOM 0 HA GLU A 84 8.572 -5.177 -6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.230 -7.250 -7.865 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.764 -7.041 -8.687 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.932 -7.102 -6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.388 -7.409 -5.678 1.00 0.00 H new ATOM 1299 N VAL A 85 11.257 -4.544 -8.396 1.00 0.00 N ATOM 1300 CA VAL A 85 12.599 -3.988 -8.339 1.00 0.00 C ATOM 1301 C VAL A 85 12.571 -2.684 -7.539 1.00 0.00 C ATOM 1302 O VAL A 85 13.475 -2.418 -6.749 1.00 0.00 O ATOM 1303 CB VAL A 85 13.153 -3.810 -9.754 1.00 0.00 C ATOM 1304 CG1 VAL A 85 12.691 -4.946 -10.670 1.00 0.00 C ATOM 1305 CG2 VAL A 85 12.761 -2.448 -10.329 1.00 0.00 C ATOM 0 H VAL A 85 10.923 -4.755 -9.336 1.00 0.00 H new ATOM 0 HA VAL A 85 13.275 -4.671 -7.825 1.00 0.00 H new ATOM 0 HB VAL A 85 14.241 -3.848 -9.695 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.098 -4.796 -11.670 1.00 0.00 H new ATOM 0 HG12 VAL A 85 13.043 -5.899 -10.274 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.602 -4.954 -10.719 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.167 -2.347 -11.335 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.675 -2.368 -10.367 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.161 -1.657 -9.695 1.00 0.00 H new ATOM 1315 N GLU A 86 11.524 -1.906 -7.772 1.00 0.00 N ATOM 1316 CA GLU A 86 11.368 -0.637 -7.083 1.00 0.00 C ATOM 1317 C GLU A 86 11.081 -0.870 -5.598 1.00 0.00 C ATOM 1318 O GLU A 86 11.839 -0.423 -4.739 1.00 0.00 O ATOM 1319 CB GLU A 86 10.265 0.205 -7.729 1.00 0.00 C ATOM 1320 CG GLU A 86 10.856 1.250 -8.676 1.00 0.00 C ATOM 1321 CD GLU A 86 10.569 2.668 -8.177 1.00 0.00 C ATOM 1322 OE1 GLU A 86 9.494 3.191 -8.543 1.00 0.00 O ATOM 1323 OE2 GLU A 86 11.431 3.196 -7.442 1.00 0.00 O ATOM 0 H GLU A 86 10.776 -2.130 -8.428 1.00 0.00 H new ATOM 0 HA GLU A 86 12.302 -0.082 -7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.582 -0.443 -8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.680 0.701 -6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.933 1.102 -8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.437 1.120 -9.674 1.00 0.00 H new ATOM 1330 N ARG A 87 9.986 -1.570 -5.343 1.00 0.00 N ATOM 1331 CA ARG A 87 9.590 -1.869 -3.977 1.00 0.00 C ATOM 1332 C ARG A 87 10.759 -2.488 -3.208 1.00 0.00 C ATOM 1333 O ARG A 87 11.054 -2.080 -2.086 1.00 0.00 O ATOM 1334 CB ARG A 87 8.401 -2.831 -3.946 1.00 0.00 C ATOM 1335 CG ARG A 87 7.302 -2.376 -4.907 1.00 0.00 C ATOM 1336 CD ARG A 87 5.922 -2.804 -4.403 1.00 0.00 C ATOM 1337 NE ARG A 87 5.418 -3.939 -5.209 1.00 0.00 N ATOM 1338 CZ ARG A 87 5.838 -5.204 -5.069 1.00 0.00 C ATOM 1339 NH1 ARG A 87 6.771 -5.503 -4.155 1.00 0.00 N ATOM 1340 NH2 ARG A 87 5.325 -6.169 -5.843 1.00 0.00 N ATOM 0 H ARG A 87 9.360 -1.939 -6.059 1.00 0.00 H new ATOM 0 HA ARG A 87 9.296 -0.932 -3.505 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.733 -3.834 -4.216 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.002 -2.889 -2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.334 -1.292 -5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.480 -2.800 -5.895 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.982 -3.091 -3.353 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.227 -1.966 -4.465 1.00 0.00 H new ATOM 0 HE ARG A 87 4.707 -3.746 -5.915 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.162 -4.768 -3.566 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.091 -6.466 -4.049 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.615 -5.941 -6.539 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.644 -7.132 -5.737 1.00 0.00 H new ATOM 1354 N ASP A 88 11.394 -3.462 -3.844 1.00 0.00 N ATOM 1355 CA ASP A 88 12.525 -4.141 -3.234 1.00 0.00 C ATOM 1356 C ASP A 88 13.542 -3.102 -2.759 1.00 0.00 C ATOM 1357 O ASP A 88 13.844 -3.022 -1.569 1.00 0.00 O ATOM 1358 CB ASP A 88 13.222 -5.061 -4.239 1.00 0.00 C ATOM 1359 CG ASP A 88 12.574 -6.435 -4.414 1.00 0.00 C ATOM 1360 OD1 ASP A 88 11.354 -6.525 -4.160 1.00 0.00 O ATOM 1361 OD2 ASP A 88 13.314 -7.367 -4.799 1.00 0.00 O ATOM 0 H ASP A 88 11.147 -3.797 -4.775 1.00 0.00 H new ATOM 0 HA ASP A 88 12.152 -4.735 -2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 88 13.248 -4.562 -5.208 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.256 -5.201 -3.924 1.00 0.00 H new ATOM 1366 N ARG A 89 14.044 -2.332 -3.714 1.00 0.00 N ATOM 1367 CA ARG A 89 15.021 -1.301 -3.408 1.00 0.00 C ATOM 1368 C ARG A 89 14.416 -0.258 -2.466 1.00 0.00 C ATOM 1369 O ARG A 89 15.018 0.091 -1.452 1.00 0.00 O ATOM 1370 CB ARG A 89 15.508 -0.608 -4.682 1.00 0.00 C ATOM 1371 CG ARG A 89 17.001 -0.856 -4.906 1.00 0.00 C ATOM 1372 CD ARG A 89 17.277 -1.265 -6.354 1.00 0.00 C ATOM 1373 NE ARG A 89 18.681 -1.711 -6.495 1.00 0.00 N ATOM 1374 CZ ARG A 89 19.309 -1.858 -7.670 1.00 0.00 C ATOM 1375 NH1 ARG A 89 18.660 -1.596 -8.813 1.00 0.00 N ATOM 1376 NH2 ARG A 89 20.584 -2.267 -7.702 1.00 0.00 N ATOM 0 H ARG A 89 13.792 -2.402 -4.700 1.00 0.00 H new ATOM 0 HA ARG A 89 15.870 -1.783 -2.923 1.00 0.00 H new ATOM 0 HB2 ARG A 89 14.942 -0.975 -5.538 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.320 0.463 -4.612 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.563 0.046 -4.666 1.00 0.00 H new ATOM 0 HG3 ARG A 89 17.349 -1.638 -4.231 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.601 -2.067 -6.649 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.085 -0.424 -7.021 1.00 0.00 H new ATOM 0 HE ARG A 89 19.204 -1.920 -5.644 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.689 -1.285 -8.788 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.137 -1.708 -9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 89 21.077 -2.467 -6.832 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.061 -2.379 -8.596 1.00 0.00 H new ATOM 1390 N ILE A 90 13.233 0.210 -2.836 1.00 0.00 N ATOM 1391 CA ILE A 90 12.540 1.206 -2.037 1.00 0.00 C ATOM 1392 C ILE A 90 12.598 0.802 -0.563 1.00 0.00 C ATOM 1393 O ILE A 90 13.118 1.546 0.268 1.00 0.00 O ATOM 1394 CB ILE A 90 11.117 1.417 -2.561 1.00 0.00 C ATOM 1395 CG1 ILE A 90 11.132 2.131 -3.914 1.00 0.00 C ATOM 1396 CG2 ILE A 90 10.259 2.157 -1.532 1.00 0.00 C ATOM 1397 CD1 ILE A 90 9.802 1.942 -4.648 1.00 0.00 C ATOM 0 H ILE A 90 12.737 -0.082 -3.678 1.00 0.00 H new ATOM 0 HA ILE A 90 13.034 2.174 -2.122 1.00 0.00 H new ATOM 0 HB ILE A 90 10.661 0.439 -2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 90 11.322 3.194 -3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 90 11.947 1.743 -4.525 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.253 2.294 -1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.210 1.574 -0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 90 10.702 3.130 -1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 90 9.839 2.459 -5.607 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.627 0.879 -4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.992 2.353 -4.045 1.00 0.00 H new ATOM 1409 N TYR A 91 12.058 -0.374 -0.282 1.00 0.00 N ATOM 1410 CA TYR A 91 12.043 -0.886 1.077 1.00 0.00 C ATOM 1411 C TYR A 91 13.439 -0.827 1.701 1.00 0.00 C ATOM 1412 O TYR A 91 13.602 -0.345 2.822 1.00 0.00 O ATOM 1413 CB TYR A 91 11.606 -2.348 0.973 1.00 0.00 C ATOM 1414 CG TYR A 91 10.150 -2.533 0.542 1.00 0.00 C ATOM 1415 CD1 TYR A 91 9.164 -1.727 1.074 1.00 0.00 C ATOM 1416 CD2 TYR A 91 9.821 -3.507 -0.380 1.00 0.00 C ATOM 1417 CE1 TYR A 91 7.794 -1.901 0.668 1.00 0.00 C ATOM 1418 CE2 TYR A 91 8.451 -3.681 -0.786 1.00 0.00 C ATOM 1419 CZ TYR A 91 7.505 -2.869 -0.242 1.00 0.00 C ATOM 1420 OH TYR A 91 6.210 -3.034 -0.626 1.00 0.00 O ATOM 0 H TYR A 91 11.627 -0.988 -0.973 1.00 0.00 H new ATOM 0 HA TYR A 91 11.375 -0.294 1.702 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.253 -2.860 0.261 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.752 -2.830 1.940 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.420 -0.965 1.795 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.592 -4.138 -0.797 1.00 0.00 H new ATOM 0 HE1 TYR A 91 7.013 -1.277 1.077 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.180 -4.439 -1.506 1.00 0.00 H new ATOM 0 HH TYR A 91 5.615 -2.708 0.081 1.00 0.00 H new ATOM 1430 N GLN A 92 14.410 -1.323 0.949 1.00 0.00 N ATOM 1431 CA GLN A 92 15.786 -1.332 1.415 1.00 0.00 C ATOM 1432 C GLN A 92 16.227 0.082 1.796 1.00 0.00 C ATOM 1433 O GLN A 92 16.748 0.300 2.889 1.00 0.00 O ATOM 1434 CB GLN A 92 16.718 -1.931 0.359 1.00 0.00 C ATOM 1435 CG GLN A 92 18.177 -1.572 0.648 1.00 0.00 C ATOM 1436 CD GLN A 92 18.652 -2.218 1.951 1.00 0.00 C ATOM 1437 OE1 GLN A 92 19.219 -3.410 1.788 1.00 0.00 O flip ATOM 1438 NE2 GLN A 92 18.514 -1.670 3.032 1.00 0.00 N flip ATOM 0 H GLN A 92 14.271 -1.722 0.020 1.00 0.00 H new ATOM 0 HA GLN A 92 15.844 -1.961 2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.603 -3.015 0.340 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.438 -1.564 -0.628 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.807 -1.903 -0.177 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.283 -0.489 0.715 1.00 0.00 H new ATOM 0 HE21 GLN A 92 18.069 -0.754 3.086 1.00 0.00 H new ATOM 0 HE22 GLN A 92 18.843 -2.128 3.882 1.00 0.00 H new ATOM 1447 N ASP A 93 16.002 1.007 0.874 1.00 0.00 N ATOM 1448 CA ASP A 93 16.370 2.394 1.100 1.00 0.00 C ATOM 1449 C ASP A 93 15.872 2.831 2.479 1.00 0.00 C ATOM 1450 O ASP A 93 16.664 3.232 3.331 1.00 0.00 O ATOM 1451 CB ASP A 93 15.731 3.310 0.055 1.00 0.00 C ATOM 1452 CG ASP A 93 16.686 4.314 -0.595 1.00 0.00 C ATOM 1453 OD1 ASP A 93 16.853 5.403 -0.005 1.00 0.00 O ATOM 1454 OD2 ASP A 93 17.228 3.969 -1.668 1.00 0.00 O ATOM 0 H ASP A 93 15.569 0.823 -0.031 1.00 0.00 H new ATOM 0 HA ASP A 93 17.455 2.471 1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 93 15.290 2.692 -0.727 1.00 0.00 H new ATOM 0 HB3 ASP A 93 14.915 3.859 0.525 1.00 0.00 H new ATOM 1459 N GLU A 94 14.562 2.738 2.657 1.00 0.00 N ATOM 1460 CA GLU A 94 13.949 3.119 3.918 1.00 0.00 C ATOM 1461 C GLU A 94 14.794 2.619 5.091 1.00 0.00 C ATOM 1462 O GLU A 94 15.323 3.416 5.864 1.00 0.00 O ATOM 1463 CB GLU A 94 12.515 2.594 4.011 1.00 0.00 C ATOM 1464 CG GLU A 94 11.563 3.684 4.505 1.00 0.00 C ATOM 1465 CD GLU A 94 11.818 4.010 5.978 1.00 0.00 C ATOM 1466 OE1 GLU A 94 12.738 3.384 6.546 1.00 0.00 O ATOM 1467 OE2 GLU A 94 11.087 4.878 6.502 1.00 0.00 O ATOM 0 H GLU A 94 13.908 2.404 1.949 1.00 0.00 H new ATOM 0 HA GLU A 94 13.906 4.207 3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.190 2.238 3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.480 1.741 4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.691 4.583 3.903 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.531 3.357 4.375 1.00 0.00 H new