USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 550 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 24 ASN : amide:sc= -4.93! C(o=-5.4!,f=-5.8!) USER MOD Set 1.2: A 78 GLN : amide:sc= -0.483! C(o=-5.4!,f=-5.8!) USER MOD Set 2.1: A 47 SER OG : rot 180:sc= -0.124 USER MOD Set 2.2: A 49 HIS : no HE2:sc= -1.6! C(o=-1.7!,f=-3!) USER MOD Set 3.1: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 40 TYR OH : rot 180:sc= -0.909 USER MOD Single : A 16 SER OG : rot -57:sc= -1.94 USER MOD Single : A 22 ASN : amide:sc= 1.13 K(o=1.1,f=-0.33) USER MOD Single : A 25 THR OG1 : rot -110:sc= -0.127 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -176:sc=-0.000288 (180deg=-0.0541) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 13:sc= 0.495! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 18:sc= -4! USER MOD Single : A 50 LYS NZ :NH3+ 145:sc= -0.548 (180deg=-2.42!) USER MOD Single : A 56 GLN : amide:sc= -4.17! C(o=-4.2!,f=-6.5!) USER MOD Single : A 57 TYR OH : rot -155:sc= -4.17! USER MOD Single : A 59 ASN : amide:sc= -2.97! C(o=-3!,f=-2.7!) USER MOD Single : A 62 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.3!) USER MOD Single : A 74 MET CE :methyl 164:sc= 0 (180deg=-0.345) USER MOD Single : A 83 ASN : amide:sc= -3.13! C(o=-3.1!,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 194 N SER A 16 8.851 -0.558 6.248 1.00 0.00 N ATOM 195 CA SER A 16 8.141 0.322 5.335 1.00 0.00 C ATOM 196 C SER A 16 7.310 -0.505 4.352 1.00 0.00 C ATOM 197 O SER A 16 7.833 -0.998 3.353 1.00 0.00 O ATOM 198 CB SER A 16 9.113 1.229 4.577 1.00 0.00 C ATOM 199 OG SER A 16 8.634 1.554 3.275 1.00 0.00 O ATOM 0 HA SER A 16 7.475 0.957 5.920 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.271 2.146 5.145 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.081 0.735 4.494 1.00 0.00 H new ATOM 0 HG SER A 16 8.466 0.729 2.773 1.00 0.00 H new ATOM 205 N ARG A 17 6.030 -0.631 4.669 1.00 0.00 N ATOM 206 CA ARG A 17 5.122 -1.390 3.826 1.00 0.00 C ATOM 207 C ARG A 17 3.754 -0.707 3.770 1.00 0.00 C ATOM 208 O ARG A 17 3.210 -0.315 4.801 1.00 0.00 O ATOM 209 CB ARG A 17 4.951 -2.818 4.346 1.00 0.00 C ATOM 210 CG ARG A 17 5.283 -3.842 3.258 1.00 0.00 C ATOM 211 CD ARG A 17 4.866 -5.251 3.686 1.00 0.00 C ATOM 212 NE ARG A 17 5.036 -6.193 2.557 1.00 0.00 N ATOM 213 CZ ARG A 17 6.196 -6.784 2.240 1.00 0.00 C ATOM 214 NH1 ARG A 17 7.295 -6.534 2.964 1.00 0.00 N ATOM 215 NH2 ARG A 17 6.256 -7.625 1.198 1.00 0.00 N ATOM 0 H ARG A 17 5.600 -0.220 5.498 1.00 0.00 H new ATOM 0 HA ARG A 17 5.553 -1.430 2.826 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.599 -2.975 5.208 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.926 -2.964 4.687 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.773 -3.573 2.333 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.353 -3.823 3.050 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.468 -5.575 4.535 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.827 -5.248 4.015 1.00 0.00 H new ATOM 0 HE ARG A 17 4.219 -6.406 1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.249 -5.894 3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.178 -6.984 2.723 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.419 -7.815 0.647 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.139 -8.075 0.956 1.00 0.00 H new ATOM 229 N VAL A 18 3.237 -0.586 2.556 1.00 0.00 N ATOM 230 CA VAL A 18 1.943 0.043 2.353 1.00 0.00 C ATOM 231 C VAL A 18 1.002 -0.948 1.665 1.00 0.00 C ATOM 232 O VAL A 18 1.325 -1.483 0.605 1.00 0.00 O ATOM 233 CB VAL A 18 2.111 1.348 1.573 1.00 0.00 C ATOM 234 CG1 VAL A 18 0.765 2.049 1.379 1.00 0.00 C ATOM 235 CG2 VAL A 18 3.117 2.272 2.262 1.00 0.00 C ATOM 0 H VAL A 18 3.691 -0.913 1.703 1.00 0.00 H new ATOM 0 HA VAL A 18 1.493 0.308 3.310 1.00 0.00 H new ATOM 0 HB VAL A 18 2.504 1.101 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.913 2.974 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.091 1.396 0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.330 2.278 2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.218 3.193 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.766 2.508 3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.085 1.775 2.324 1.00 0.00 H new ATOM 245 N PHE A 19 -0.143 -1.163 2.296 1.00 0.00 N ATOM 246 CA PHE A 19 -1.133 -2.081 1.757 1.00 0.00 C ATOM 247 C PHE A 19 -2.192 -1.331 0.946 1.00 0.00 C ATOM 248 O PHE A 19 -3.113 -0.745 1.513 1.00 0.00 O ATOM 249 CB PHE A 19 -1.809 -2.761 2.950 1.00 0.00 C ATOM 250 CG PHE A 19 -3.058 -3.563 2.583 1.00 0.00 C ATOM 251 CD1 PHE A 19 -2.984 -4.547 1.646 1.00 0.00 C ATOM 252 CD2 PHE A 19 -4.244 -3.294 3.193 1.00 0.00 C ATOM 253 CE1 PHE A 19 -4.144 -5.292 1.305 1.00 0.00 C ATOM 254 CE2 PHE A 19 -5.403 -4.039 2.853 1.00 0.00 C ATOM 255 CZ PHE A 19 -5.329 -5.022 1.916 1.00 0.00 C ATOM 0 H PHE A 19 -0.407 -0.718 3.175 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.651 -2.802 1.097 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.091 -3.426 3.431 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.080 -2.001 3.683 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.043 -4.761 1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.303 -2.513 3.937 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.085 -6.073 0.561 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.344 -3.825 3.338 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.211 -5.588 1.657 1.00 0.00 H new ATOM 265 N ILE A 20 -2.025 -1.373 -0.368 1.00 0.00 N ATOM 266 CA ILE A 20 -2.955 -0.704 -1.262 1.00 0.00 C ATOM 267 C ILE A 20 -4.132 -1.636 -1.556 1.00 0.00 C ATOM 268 O ILE A 20 -4.015 -2.553 -2.367 1.00 0.00 O ATOM 269 CB ILE A 20 -2.231 -0.213 -2.518 1.00 0.00 C ATOM 270 CG1 ILE A 20 -0.998 0.616 -2.151 1.00 0.00 C ATOM 271 CG2 ILE A 20 -3.185 0.554 -3.436 1.00 0.00 C ATOM 272 CD1 ILE A 20 0.286 -0.079 -2.610 1.00 0.00 C ATOM 0 H ILE A 20 -1.260 -1.860 -0.835 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.364 0.188 -0.788 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.880 -1.083 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.067 1.601 -2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.967 0.770 -1.072 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.646 0.892 -4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.004 -0.099 -3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.586 1.417 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.147 0.531 -2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.364 -1.054 -2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.262 -0.210 -3.692 1.00 0.00 H new ATOM 284 N GLY A 21 -5.240 -1.369 -0.880 1.00 0.00 N ATOM 285 CA GLY A 21 -6.438 -2.172 -1.058 1.00 0.00 C ATOM 286 C GLY A 21 -7.425 -1.482 -2.002 1.00 0.00 C ATOM 287 O GLY A 21 -7.157 -0.386 -2.493 1.00 0.00 O ATOM 0 H GLY A 21 -5.333 -0.607 -0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.169 -3.149 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.912 -2.343 -0.092 1.00 0.00 H new ATOM 291 N ASN A 22 -8.546 -2.151 -2.227 1.00 0.00 N ATOM 292 CA ASN A 22 -9.574 -1.616 -3.103 1.00 0.00 C ATOM 293 C ASN A 22 -8.914 -0.968 -4.321 1.00 0.00 C ATOM 294 O ASN A 22 -9.412 0.026 -4.846 1.00 0.00 O ATOM 295 CB ASN A 22 -10.403 -0.546 -2.389 1.00 0.00 C ATOM 296 CG ASN A 22 -11.814 -0.465 -2.975 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.589 -1.407 -2.930 1.00 0.00 O ATOM 298 ND2 ASN A 22 -12.104 0.710 -3.527 1.00 0.00 N ATOM 0 H ASN A 22 -8.765 -3.059 -1.818 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.225 -2.438 -3.401 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.460 -0.775 -1.325 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.911 0.422 -2.481 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.021 0.864 -3.946 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.409 1.457 -3.531 1.00 0.00 H new ATOM 305 N LEU A 23 -7.802 -1.559 -4.736 1.00 0.00 N ATOM 306 CA LEU A 23 -7.069 -1.051 -5.883 1.00 0.00 C ATOM 307 C LEU A 23 -7.587 -1.727 -7.154 1.00 0.00 C ATOM 308 O LEU A 23 -7.426 -2.934 -7.330 1.00 0.00 O ATOM 309 CB LEU A 23 -5.562 -1.214 -5.670 1.00 0.00 C ATOM 310 CG LEU A 23 -4.661 -0.465 -6.653 1.00 0.00 C ATOM 311 CD1 LEU A 23 -3.299 -1.151 -6.781 1.00 0.00 C ATOM 312 CD2 LEU A 23 -5.348 -0.299 -8.010 1.00 0.00 C ATOM 0 H LEU A 23 -7.392 -2.384 -4.298 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.238 0.020 -6.000 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.320 -0.882 -4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.320 -2.276 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.482 0.535 -6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.678 -0.598 -7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.810 -1.174 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.437 -2.170 -7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.686 0.237 -8.690 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.577 -1.281 -8.425 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.272 0.266 -7.883 1.00 0.00 H new ATOM 324 N ASN A 24 -8.199 -0.919 -8.008 1.00 0.00 N ATOM 325 CA ASN A 24 -8.742 -1.424 -9.257 1.00 0.00 C ATOM 326 C ASN A 24 -7.597 -1.929 -10.138 1.00 0.00 C ATOM 327 O ASN A 24 -7.167 -1.237 -11.060 1.00 0.00 O ATOM 328 CB ASN A 24 -9.477 -0.323 -10.023 1.00 0.00 C ATOM 329 CG ASN A 24 -10.844 -0.810 -10.507 1.00 0.00 C ATOM 330 OD1 ASN A 24 -11.875 -0.536 -9.916 1.00 0.00 O ATOM 331 ND2 ASN A 24 -10.795 -1.547 -11.614 1.00 0.00 N ATOM 0 H ASN A 24 -8.331 0.081 -7.859 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.440 -2.227 -9.021 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.604 0.549 -9.381 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.877 -0.006 -10.876 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.655 -1.920 -12.017 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.898 -1.739 -12.059 1.00 0.00 H new ATOM 338 N THR A 25 -7.137 -3.131 -9.824 1.00 0.00 N ATOM 339 CA THR A 25 -6.051 -3.737 -10.576 1.00 0.00 C ATOM 340 C THR A 25 -6.555 -4.238 -11.930 1.00 0.00 C ATOM 341 O THR A 25 -5.797 -4.827 -12.700 1.00 0.00 O ATOM 342 CB THR A 25 -5.435 -4.838 -9.711 1.00 0.00 C ATOM 343 OG1 THR A 25 -6.416 -5.871 -9.712 1.00 0.00 O ATOM 344 CG2 THR A 25 -5.321 -4.433 -8.240 1.00 0.00 C ATOM 0 H THR A 25 -7.496 -3.702 -9.059 1.00 0.00 H new ATOM 0 HA THR A 25 -5.272 -3.009 -10.804 1.00 0.00 H new ATOM 0 HB THR A 25 -4.447 -5.090 -10.095 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.822 -5.938 -8.822 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.878 -5.250 -7.671 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.691 -3.548 -8.154 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.313 -4.212 -7.845 1.00 0.00 H new ATOM 352 N LEU A 26 -7.831 -3.987 -12.181 1.00 0.00 N ATOM 353 CA LEU A 26 -8.445 -4.405 -13.430 1.00 0.00 C ATOM 354 C LEU A 26 -8.258 -3.307 -14.478 1.00 0.00 C ATOM 355 O LEU A 26 -8.566 -3.506 -15.653 1.00 0.00 O ATOM 356 CB LEU A 26 -9.907 -4.797 -13.203 1.00 0.00 C ATOM 357 CG LEU A 26 -10.201 -6.298 -13.161 1.00 0.00 C ATOM 358 CD1 LEU A 26 -11.653 -6.561 -12.759 1.00 0.00 C ATOM 359 CD2 LEU A 26 -9.845 -6.963 -14.492 1.00 0.00 C ATOM 0 H LEU A 26 -8.457 -3.499 -11.540 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.955 -5.299 -13.815 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.239 -4.356 -12.263 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.509 -4.351 -13.995 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.569 -6.749 -12.396 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.836 -7.635 -12.737 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.839 -6.141 -11.770 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.321 -6.094 -13.483 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.063 -8.029 -14.436 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.433 -6.514 -15.292 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.784 -6.820 -14.698 1.00 0.00 H new ATOM 371 N VAL A 27 -7.755 -2.172 -14.017 1.00 0.00 N ATOM 372 CA VAL A 27 -7.523 -1.042 -14.900 1.00 0.00 C ATOM 373 C VAL A 27 -6.168 -0.412 -14.570 1.00 0.00 C ATOM 374 O VAL A 27 -5.355 -0.178 -15.462 1.00 0.00 O ATOM 375 CB VAL A 27 -8.684 -0.051 -14.798 1.00 0.00 C ATOM 376 CG1 VAL A 27 -9.913 -0.568 -15.548 1.00 0.00 C ATOM 377 CG2 VAL A 27 -9.020 0.251 -13.336 1.00 0.00 C ATOM 0 H VAL A 27 -7.501 -2.010 -13.042 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.484 -1.371 -15.939 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.372 0.881 -15.269 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.724 0.155 -15.460 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.665 -0.708 -16.600 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.227 -1.520 -15.119 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.848 0.958 -13.292 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.303 -0.672 -12.830 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.148 0.682 -12.844 1.00 0.00 H new ATOM 387 N VAL A 28 -5.968 -0.154 -13.286 1.00 0.00 N ATOM 388 CA VAL A 28 -4.727 0.444 -12.827 1.00 0.00 C ATOM 389 C VAL A 28 -3.582 -0.552 -13.025 1.00 0.00 C ATOM 390 O VAL A 28 -3.793 -1.762 -12.976 1.00 0.00 O ATOM 391 CB VAL A 28 -4.873 0.906 -11.376 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.768 1.896 -11.001 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.257 1.511 -11.130 1.00 0.00 C ATOM 0 H VAL A 28 -6.646 -0.349 -12.549 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.491 1.332 -13.414 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.770 0.031 -10.734 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.896 2.208 -9.965 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.796 1.418 -11.119 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.825 2.768 -11.652 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.335 1.831 -10.091 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.401 2.369 -11.786 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.023 0.764 -11.337 1.00 0.00 H new ATOM 403 N LYS A 29 -2.395 -0.004 -13.243 1.00 0.00 N ATOM 404 CA LYS A 29 -1.217 -0.830 -13.448 1.00 0.00 C ATOM 405 C LYS A 29 -0.246 -0.623 -12.283 1.00 0.00 C ATOM 406 O LYS A 29 -0.524 0.151 -11.369 1.00 0.00 O ATOM 407 CB LYS A 29 -0.599 -0.551 -14.820 1.00 0.00 C ATOM 408 CG LYS A 29 -0.858 -1.711 -15.783 1.00 0.00 C ATOM 409 CD LYS A 29 0.273 -2.739 -15.720 1.00 0.00 C ATOM 410 CE LYS A 29 -0.009 -3.799 -14.654 1.00 0.00 C ATOM 411 NZ LYS A 29 0.036 -5.155 -15.247 1.00 0.00 N ATOM 0 H LYS A 29 -2.224 1.001 -13.282 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.488 -1.886 -13.455 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.017 0.368 -15.231 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.474 -0.394 -14.714 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.805 -2.191 -15.534 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.952 -1.330 -16.800 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.389 -3.218 -16.692 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.214 -2.236 -15.498 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.726 -3.722 -13.852 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.988 -3.623 -14.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.158 -5.863 -14.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.681 -5.230 -15.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.979 -5.326 -15.652 1.00 0.00 H new ATOM 425 N LYS A 30 0.872 -1.330 -12.354 1.00 0.00 N ATOM 426 CA LYS A 30 1.885 -1.234 -11.317 1.00 0.00 C ATOM 427 C LYS A 30 2.611 0.107 -11.442 1.00 0.00 C ATOM 428 O LYS A 30 2.821 0.798 -10.446 1.00 0.00 O ATOM 429 CB LYS A 30 2.819 -2.446 -11.367 1.00 0.00 C ATOM 430 CG LYS A 30 3.174 -2.922 -9.957 1.00 0.00 C ATOM 431 CD LYS A 30 2.801 -4.393 -9.765 1.00 0.00 C ATOM 432 CE LYS A 30 4.012 -5.301 -9.993 1.00 0.00 C ATOM 433 NZ LYS A 30 4.434 -5.255 -11.410 1.00 0.00 N ATOM 0 H LYS A 30 1.099 -1.972 -13.114 1.00 0.00 H new ATOM 0 HA LYS A 30 1.423 -1.256 -10.330 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.341 -3.256 -11.919 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.729 -2.186 -11.907 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.241 -2.788 -9.782 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.651 -2.311 -9.221 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.413 -4.545 -8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.004 -4.663 -10.458 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.835 -4.987 -9.352 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.764 -6.325 -9.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.213 -5.927 -11.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.631 -5.511 -12.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.755 -4.294 -11.646 1.00 0.00 H new ATOM 447 N SER A 31 2.974 0.435 -12.673 1.00 0.00 N ATOM 448 CA SER A 31 3.671 1.681 -12.941 1.00 0.00 C ATOM 449 C SER A 31 2.793 2.869 -12.542 1.00 0.00 C ATOM 450 O SER A 31 3.289 3.980 -12.362 1.00 0.00 O ATOM 451 CB SER A 31 4.067 1.785 -14.415 1.00 0.00 C ATOM 452 OG SER A 31 5.473 1.950 -14.580 1.00 0.00 O ATOM 0 H SER A 31 2.798 -0.141 -13.496 1.00 0.00 H new ATOM 0 HA SER A 31 4.584 1.696 -12.346 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.743 0.887 -14.942 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.547 2.627 -14.871 1.00 0.00 H new ATOM 0 HG SER A 31 5.685 2.011 -15.535 1.00 0.00 H new ATOM 458 N ASP A 32 1.503 2.593 -12.415 1.00 0.00 N ATOM 459 CA ASP A 32 0.551 3.625 -12.041 1.00 0.00 C ATOM 460 C ASP A 32 0.581 3.814 -10.523 1.00 0.00 C ATOM 461 O ASP A 32 0.323 4.909 -10.025 1.00 0.00 O ATOM 462 CB ASP A 32 -0.872 3.232 -12.441 1.00 0.00 C ATOM 463 CG ASP A 32 -1.196 3.401 -13.927 1.00 0.00 C ATOM 464 OD1 ASP A 32 -0.589 4.304 -14.541 1.00 0.00 O ATOM 465 OD2 ASP A 32 -2.044 2.623 -14.414 1.00 0.00 O ATOM 0 H ASP A 32 1.095 1.670 -12.564 1.00 0.00 H new ATOM 0 HA ASP A 32 0.829 4.544 -12.557 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.036 2.190 -12.165 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.575 3.830 -11.861 1.00 0.00 H new ATOM 470 N VAL A 33 0.897 2.730 -9.830 1.00 0.00 N ATOM 471 CA VAL A 33 0.963 2.762 -8.379 1.00 0.00 C ATOM 472 C VAL A 33 2.407 3.020 -7.944 1.00 0.00 C ATOM 473 O VAL A 33 2.663 3.340 -6.784 1.00 0.00 O ATOM 474 CB VAL A 33 0.386 1.469 -7.799 1.00 0.00 C ATOM 475 CG1 VAL A 33 0.541 1.433 -6.278 1.00 0.00 C ATOM 476 CG2 VAL A 33 -1.078 1.292 -8.206 1.00 0.00 C ATOM 0 H VAL A 33 1.110 1.824 -10.247 1.00 0.00 H new ATOM 0 HA VAL A 33 0.355 3.577 -7.988 1.00 0.00 H new ATOM 0 HB VAL A 33 0.952 0.634 -8.212 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.123 0.504 -5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.598 1.491 -6.019 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.013 2.279 -5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.464 0.366 -7.781 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.663 2.133 -7.835 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.151 1.251 -9.293 1.00 0.00 H new ATOM 486 N GLU A 34 3.314 2.870 -8.898 1.00 0.00 N ATOM 487 CA GLU A 34 4.726 3.083 -8.629 1.00 0.00 C ATOM 488 C GLU A 34 5.103 4.542 -8.892 1.00 0.00 C ATOM 489 O GLU A 34 5.887 5.128 -8.148 1.00 0.00 O ATOM 490 CB GLU A 34 5.592 2.134 -9.460 1.00 0.00 C ATOM 491 CG GLU A 34 5.967 0.888 -8.657 1.00 0.00 C ATOM 492 CD GLU A 34 6.928 -0.005 -9.445 1.00 0.00 C ATOM 493 OE1 GLU A 34 8.138 0.306 -9.423 1.00 0.00 O ATOM 494 OE2 GLU A 34 6.430 -0.977 -10.052 1.00 0.00 O ATOM 0 H GLU A 34 3.098 2.603 -9.859 1.00 0.00 H new ATOM 0 HA GLU A 34 4.912 2.865 -7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.054 1.841 -10.362 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.497 2.650 -9.782 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.430 1.184 -7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.066 0.327 -8.407 1.00 0.00 H new ATOM 501 N ALA A 35 4.527 5.086 -9.954 1.00 0.00 N ATOM 502 CA ALA A 35 4.793 6.466 -10.325 1.00 0.00 C ATOM 503 C ALA A 35 3.972 7.397 -9.430 1.00 0.00 C ATOM 504 O ALA A 35 4.416 8.495 -9.098 1.00 0.00 O ATOM 505 CB ALA A 35 4.485 6.664 -11.810 1.00 0.00 C ATOM 0 H ALA A 35 3.877 4.596 -10.569 1.00 0.00 H new ATOM 0 HA ALA A 35 5.845 6.708 -10.175 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.684 7.699 -12.088 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.114 6.001 -12.404 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.436 6.433 -11.998 1.00 0.00 H new ATOM 511 N ILE A 36 2.789 6.924 -9.066 1.00 0.00 N ATOM 512 CA ILE A 36 1.902 7.701 -8.216 1.00 0.00 C ATOM 513 C ILE A 36 2.469 7.740 -6.796 1.00 0.00 C ATOM 514 O ILE A 36 2.320 8.738 -6.092 1.00 0.00 O ATOM 515 CB ILE A 36 0.474 7.157 -8.294 1.00 0.00 C ATOM 516 CG1 ILE A 36 -0.144 7.435 -9.666 1.00 0.00 C ATOM 517 CG2 ILE A 36 -0.386 7.710 -7.155 1.00 0.00 C ATOM 518 CD1 ILE A 36 -1.512 6.761 -9.797 1.00 0.00 C ATOM 0 H ILE A 36 2.424 6.013 -9.344 1.00 0.00 H new ATOM 0 HA ILE A 36 1.845 8.732 -8.565 1.00 0.00 H new ATOM 0 HB ILE A 36 0.513 6.075 -8.172 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.249 8.510 -9.811 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.521 7.071 -10.449 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.396 7.308 -7.234 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.047 7.419 -6.198 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.422 8.797 -7.221 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.930 6.974 -10.781 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.400 5.684 -9.676 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.182 7.145 -9.028 1.00 0.00 H new ATOM 530 N PHE A 37 3.106 6.642 -6.416 1.00 0.00 N ATOM 531 CA PHE A 37 3.696 6.538 -5.092 1.00 0.00 C ATOM 532 C PHE A 37 5.162 6.976 -5.109 1.00 0.00 C ATOM 533 O PHE A 37 5.767 7.172 -4.056 1.00 0.00 O ATOM 534 CB PHE A 37 3.619 5.066 -4.683 1.00 0.00 C ATOM 535 CG PHE A 37 2.207 4.588 -4.339 1.00 0.00 C ATOM 536 CD1 PHE A 37 1.203 4.727 -5.245 1.00 0.00 C ATOM 537 CD2 PHE A 37 1.957 4.025 -3.126 1.00 0.00 C ATOM 538 CE1 PHE A 37 -0.108 4.284 -4.925 1.00 0.00 C ATOM 539 CE2 PHE A 37 0.646 3.582 -2.807 1.00 0.00 C ATOM 540 CZ PHE A 37 -0.359 3.720 -3.713 1.00 0.00 C ATOM 0 H PHE A 37 3.226 5.816 -7.002 1.00 0.00 H new ATOM 0 HA PHE A 37 3.161 7.182 -4.394 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.011 4.453 -5.495 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.266 4.905 -3.821 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.402 5.174 -6.208 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.755 3.915 -2.406 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.906 4.395 -5.644 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.447 3.135 -1.844 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.356 3.382 -3.470 1.00 0.00 H new ATOM 550 N SER A 38 5.691 7.115 -6.316 1.00 0.00 N ATOM 551 CA SER A 38 7.074 7.525 -6.484 1.00 0.00 C ATOM 552 C SER A 38 7.254 8.968 -6.007 1.00 0.00 C ATOM 553 O SER A 38 8.378 9.456 -5.905 1.00 0.00 O ATOM 554 CB SER A 38 7.516 7.389 -7.942 1.00 0.00 C ATOM 555 OG SER A 38 8.557 8.305 -8.272 1.00 0.00 O ATOM 0 H SER A 38 5.186 6.951 -7.187 1.00 0.00 H new ATOM 0 HA SER A 38 7.701 6.869 -5.880 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.859 6.370 -8.123 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.662 7.560 -8.597 1.00 0.00 H new ATOM 0 HG SER A 38 8.925 8.692 -7.450 1.00 0.00 H new ATOM 561 N LYS A 39 6.129 9.609 -5.728 1.00 0.00 N ATOM 562 CA LYS A 39 6.148 10.986 -5.264 1.00 0.00 C ATOM 563 C LYS A 39 6.061 11.007 -3.737 1.00 0.00 C ATOM 564 O LYS A 39 6.062 12.075 -3.126 1.00 0.00 O ATOM 565 CB LYS A 39 5.050 11.799 -5.954 1.00 0.00 C ATOM 566 CG LYS A 39 3.738 11.015 -6.006 1.00 0.00 C ATOM 567 CD LYS A 39 2.566 11.930 -6.370 1.00 0.00 C ATOM 568 CE LYS A 39 2.464 13.104 -5.395 1.00 0.00 C ATOM 569 NZ LYS A 39 1.051 13.361 -5.039 1.00 0.00 N ATOM 0 H LYS A 39 5.198 9.201 -5.814 1.00 0.00 H new ATOM 0 HA LYS A 39 7.088 11.467 -5.536 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.897 12.737 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.364 12.056 -6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.819 10.212 -6.739 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.552 10.546 -5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.695 12.306 -7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.637 11.360 -6.357 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.038 12.887 -4.494 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.900 13.996 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.000 14.161 -4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.512 13.589 -5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.646 12.514 -4.591 1.00 0.00 H new ATOM 583 N TYR A 40 5.986 9.815 -3.164 1.00 0.00 N ATOM 584 CA TYR A 40 5.898 9.682 -1.720 1.00 0.00 C ATOM 585 C TYR A 40 7.115 8.941 -1.162 1.00 0.00 C ATOM 586 O TYR A 40 7.068 8.409 -0.054 1.00 0.00 O ATOM 587 CB TYR A 40 4.642 8.853 -1.448 1.00 0.00 C ATOM 588 CG TYR A 40 3.340 9.654 -1.522 1.00 0.00 C ATOM 589 CD1 TYR A 40 3.183 10.788 -0.751 1.00 0.00 C ATOM 590 CD2 TYR A 40 2.323 9.242 -2.358 1.00 0.00 C ATOM 591 CE1 TYR A 40 1.958 11.541 -0.821 1.00 0.00 C ATOM 592 CE2 TYR A 40 1.097 9.995 -2.428 1.00 0.00 C ATOM 593 CZ TYR A 40 0.975 11.108 -1.655 1.00 0.00 C ATOM 594 OH TYR A 40 -0.182 11.819 -1.721 1.00 0.00 O ATOM 0 H TYR A 40 5.984 8.932 -3.674 1.00 0.00 H new ATOM 0 HA TYR A 40 5.862 10.663 -1.246 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.595 8.036 -2.168 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.724 8.402 -0.459 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.979 11.110 -0.096 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.446 8.354 -2.961 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.823 12.431 -0.224 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.293 9.683 -3.079 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.792 11.393 -2.358 1.00 0.00 H new ATOM 604 N GLY A 41 8.176 8.929 -1.956 1.00 0.00 N ATOM 605 CA GLY A 41 9.402 8.261 -1.555 1.00 0.00 C ATOM 606 C GLY A 41 9.843 7.244 -2.610 1.00 0.00 C ATOM 607 O GLY A 41 9.103 6.961 -3.552 1.00 0.00 O ATOM 0 H GLY A 41 8.212 9.371 -2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.190 8.999 -1.404 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.250 7.757 -0.600 1.00 0.00 H new ATOM 611 N LYS A 42 11.045 6.723 -2.418 1.00 0.00 N ATOM 612 CA LYS A 42 11.593 5.743 -3.341 1.00 0.00 C ATOM 613 C LYS A 42 11.049 4.357 -2.989 1.00 0.00 C ATOM 614 O LYS A 42 11.092 3.945 -1.831 1.00 0.00 O ATOM 615 CB LYS A 42 13.121 5.818 -3.357 1.00 0.00 C ATOM 616 CG LYS A 42 13.715 4.706 -4.224 1.00 0.00 C ATOM 617 CD LYS A 42 13.906 5.178 -5.667 1.00 0.00 C ATOM 618 CE LYS A 42 14.991 4.362 -6.372 1.00 0.00 C ATOM 619 NZ LYS A 42 15.028 4.687 -7.815 1.00 0.00 N ATOM 0 H LYS A 42 11.656 6.961 -1.636 1.00 0.00 H new ATOM 0 HA LYS A 42 11.275 5.961 -4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.437 6.789 -3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.504 5.735 -2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.673 4.391 -3.811 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.058 3.836 -4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.966 5.086 -6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.177 6.234 -5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.961 4.570 -5.921 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.799 3.298 -6.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.770 4.125 -8.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.107 4.466 -8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.233 5.699 -7.938 1.00 0.00 H new ATOM 633 N ILE A 43 10.550 3.676 -4.010 1.00 0.00 N ATOM 634 CA ILE A 43 9.998 2.345 -3.823 1.00 0.00 C ATOM 635 C ILE A 43 11.099 1.305 -4.043 1.00 0.00 C ATOM 636 O ILE A 43 11.846 1.384 -5.018 1.00 0.00 O ATOM 637 CB ILE A 43 8.773 2.142 -4.717 1.00 0.00 C ATOM 638 CG1 ILE A 43 7.700 3.192 -4.422 1.00 0.00 C ATOM 639 CG2 ILE A 43 8.231 0.717 -4.589 1.00 0.00 C ATOM 640 CD1 ILE A 43 6.506 3.035 -5.365 1.00 0.00 C ATOM 0 H ILE A 43 10.516 4.021 -4.969 1.00 0.00 H new ATOM 0 HA ILE A 43 9.642 2.221 -2.800 1.00 0.00 H new ATOM 0 HB ILE A 43 9.080 2.277 -5.754 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.367 3.096 -3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.124 4.190 -4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.361 0.599 -5.235 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.002 0.006 -4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.944 0.529 -3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.758 3.793 -5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.838 3.155 -6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.070 2.044 -5.238 1.00 0.00 H new ATOM 652 N VAL A 44 11.166 0.356 -3.122 1.00 0.00 N ATOM 653 CA VAL A 44 12.163 -0.698 -3.204 1.00 0.00 C ATOM 654 C VAL A 44 11.474 -2.022 -3.539 1.00 0.00 C ATOM 655 O VAL A 44 12.069 -2.892 -4.172 1.00 0.00 O ATOM 656 CB VAL A 44 12.970 -0.756 -1.905 1.00 0.00 C ATOM 657 CG1 VAL A 44 13.509 0.626 -1.531 1.00 0.00 C ATOM 658 CG2 VAL A 44 12.134 -1.345 -0.766 1.00 0.00 C ATOM 0 H VAL A 44 10.546 0.294 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 44 12.873 -0.490 -4.004 1.00 0.00 H new ATOM 0 HB VAL A 44 13.823 -1.414 -2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.078 0.556 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.156 0.992 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.677 1.316 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.731 -1.375 0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.253 -0.724 -0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.822 -2.356 -1.029 1.00 0.00 H new ATOM 668 N GLY A 45 10.229 -2.132 -3.100 1.00 0.00 N ATOM 669 CA GLY A 45 9.452 -3.335 -3.346 1.00 0.00 C ATOM 670 C GLY A 45 7.965 -3.006 -3.498 1.00 0.00 C ATOM 671 O GLY A 45 7.345 -2.479 -2.577 1.00 0.00 O ATOM 0 H GLY A 45 9.739 -1.408 -2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.813 -3.827 -4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.591 -4.036 -2.523 1.00 0.00 H new ATOM 675 N CYS A 46 7.437 -3.331 -4.669 1.00 0.00 N ATOM 676 CA CYS A 46 6.035 -3.077 -4.954 1.00 0.00 C ATOM 677 C CYS A 46 5.429 -4.347 -5.556 1.00 0.00 C ATOM 678 O CYS A 46 6.098 -5.069 -6.294 1.00 0.00 O ATOM 679 CB CYS A 46 5.855 -1.868 -5.874 1.00 0.00 C ATOM 680 SG CYS A 46 6.436 -2.273 -7.561 1.00 0.00 S ATOM 0 H CYS A 46 7.955 -3.768 -5.431 1.00 0.00 H new ATOM 0 HA CYS A 46 5.513 -2.829 -4.030 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.805 -1.575 -5.902 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.413 -1.017 -5.483 1.00 0.00 H new ATOM 0 HG CYS A 46 6.503 -3.564 -7.699 1.00 0.00 H new ATOM 686 N SER A 47 4.170 -4.581 -5.217 1.00 0.00 N ATOM 687 CA SER A 47 3.466 -5.751 -5.715 1.00 0.00 C ATOM 688 C SER A 47 1.974 -5.444 -5.856 1.00 0.00 C ATOM 689 O SER A 47 1.385 -4.800 -4.989 1.00 0.00 O ATOM 690 CB SER A 47 3.676 -6.954 -4.792 1.00 0.00 C ATOM 691 OG SER A 47 3.780 -6.566 -3.425 1.00 0.00 O ATOM 0 H SER A 47 3.619 -3.981 -4.604 1.00 0.00 H new ATOM 0 HA SER A 47 3.872 -6.003 -6.695 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.845 -7.650 -4.909 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.581 -7.485 -5.088 1.00 0.00 H new ATOM 0 HG SER A 47 3.912 -7.362 -2.868 1.00 0.00 H new ATOM 697 N VAL A 48 1.406 -5.920 -6.954 1.00 0.00 N ATOM 698 CA VAL A 48 -0.007 -5.705 -7.219 1.00 0.00 C ATOM 699 C VAL A 48 -0.702 -7.057 -7.387 1.00 0.00 C ATOM 700 O VAL A 48 -0.454 -7.770 -8.359 1.00 0.00 O ATOM 701 CB VAL A 48 -0.177 -4.790 -8.433 1.00 0.00 C ATOM 702 CG1 VAL A 48 -1.646 -4.707 -8.855 1.00 0.00 C ATOM 703 CG2 VAL A 48 0.393 -3.398 -8.155 1.00 0.00 C ATOM 0 H VAL A 48 1.898 -6.454 -7.671 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.481 -5.199 -6.378 1.00 0.00 H new ATOM 0 HB VAL A 48 0.386 -5.223 -9.260 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.740 -4.050 -9.720 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.007 -5.702 -9.114 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.239 -4.309 -8.032 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.259 -2.768 -9.034 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.129 -2.954 -7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.455 -3.479 -7.925 1.00 0.00 H new ATOM 713 N HIS A 49 -1.558 -7.370 -6.426 1.00 0.00 N ATOM 714 CA HIS A 49 -2.291 -8.625 -6.456 1.00 0.00 C ATOM 715 C HIS A 49 -3.776 -8.346 -6.700 1.00 0.00 C ATOM 716 O HIS A 49 -4.376 -7.517 -6.017 1.00 0.00 O ATOM 717 CB HIS A 49 -2.041 -9.430 -5.179 1.00 0.00 C ATOM 718 CG HIS A 49 -0.601 -9.427 -4.723 1.00 0.00 C ATOM 719 ND1 HIS A 49 0.305 -10.405 -5.096 1.00 0.00 N ATOM 720 CD2 HIS A 49 0.079 -8.557 -3.924 1.00 0.00 C ATOM 721 CE1 HIS A 49 1.474 -10.126 -4.539 1.00 0.00 C ATOM 722 NE2 HIS A 49 1.332 -8.980 -3.813 1.00 0.00 N ATOM 0 H HIS A 49 -1.761 -6.777 -5.621 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.932 -9.241 -7.281 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.665 -9.028 -4.381 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.357 -10.460 -5.343 1.00 0.00 H new ATOM 0 HD1 HIS A 49 0.106 -11.204 -5.697 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.332 -7.673 -3.460 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.380 -10.704 -4.642 1.00 0.00 H new ATOM 730 N LYS A 50 -4.325 -9.055 -7.675 1.00 0.00 N ATOM 731 CA LYS A 50 -5.728 -8.894 -8.018 1.00 0.00 C ATOM 732 C LYS A 50 -6.547 -8.735 -6.736 1.00 0.00 C ATOM 733 O LYS A 50 -6.881 -9.722 -6.082 1.00 0.00 O ATOM 734 CB LYS A 50 -6.197 -10.047 -8.908 1.00 0.00 C ATOM 735 CG LYS A 50 -6.948 -9.523 -10.134 1.00 0.00 C ATOM 736 CD LYS A 50 -7.915 -10.577 -10.677 1.00 0.00 C ATOM 737 CE LYS A 50 -7.187 -11.577 -11.577 1.00 0.00 C ATOM 738 NZ LYS A 50 -6.310 -12.456 -10.772 1.00 0.00 N ATOM 0 H LYS A 50 -3.824 -9.742 -8.238 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.875 -7.988 -8.605 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.338 -10.637 -9.228 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.845 -10.712 -8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.499 -8.621 -9.869 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.235 -9.244 -10.910 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.386 -11.105 -9.848 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.712 -10.090 -11.239 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.913 -12.179 -12.123 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.594 -11.043 -12.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.298 -13.409 -11.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.345 -12.069 -10.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.671 -12.508 -9.798 1.00 0.00 H new ATOM 752 N GLY A 51 -6.846 -7.485 -6.414 1.00 0.00 N ATOM 753 CA GLY A 51 -7.620 -7.184 -5.222 1.00 0.00 C ATOM 754 C GLY A 51 -6.950 -6.082 -4.398 1.00 0.00 C ATOM 755 O GLY A 51 -7.630 -5.273 -3.768 1.00 0.00 O ATOM 0 H GLY A 51 -6.566 -6.669 -6.958 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.625 -6.871 -5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.726 -8.084 -4.616 1.00 0.00 H new ATOM 759 N PHE A 52 -5.625 -6.086 -4.428 1.00 0.00 N ATOM 760 CA PHE A 52 -4.857 -5.098 -3.692 1.00 0.00 C ATOM 761 C PHE A 52 -3.412 -5.043 -4.193 1.00 0.00 C ATOM 762 O PHE A 52 -3.071 -5.681 -5.188 1.00 0.00 O ATOM 763 CB PHE A 52 -4.860 -5.530 -2.225 1.00 0.00 C ATOM 764 CG PHE A 52 -4.645 -7.031 -2.018 1.00 0.00 C ATOM 765 CD1 PHE A 52 -3.385 -7.544 -2.014 1.00 0.00 C ATOM 766 CD2 PHE A 52 -5.714 -7.852 -1.839 1.00 0.00 C ATOM 767 CE1 PHE A 52 -3.186 -8.937 -1.822 1.00 0.00 C ATOM 768 CE2 PHE A 52 -5.515 -9.245 -1.647 1.00 0.00 C ATOM 769 CZ PHE A 52 -4.255 -9.758 -1.643 1.00 0.00 C ATOM 0 H PHE A 52 -5.064 -6.759 -4.951 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.297 -4.110 -3.825 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.079 -4.985 -1.695 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.810 -5.244 -1.775 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.536 -6.892 -2.157 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.714 -7.445 -1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.186 -9.344 -1.818 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.364 -9.897 -1.504 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.104 -10.817 -1.498 1.00 0.00 H new ATOM 779 N ALA A 53 -2.601 -4.275 -3.479 1.00 0.00 N ATOM 780 CA ALA A 53 -1.200 -4.129 -3.839 1.00 0.00 C ATOM 781 C ALA A 53 -0.394 -3.762 -2.591 1.00 0.00 C ATOM 782 O ALA A 53 -0.945 -3.238 -1.624 1.00 0.00 O ATOM 783 CB ALA A 53 -1.064 -3.085 -4.949 1.00 0.00 C ATOM 0 H ALA A 53 -2.887 -3.748 -2.654 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.802 -5.068 -4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.014 -2.976 -5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.631 -3.406 -5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.450 -2.128 -4.598 1.00 0.00 H new ATOM 789 N PHE A 54 0.897 -4.050 -2.654 1.00 0.00 N ATOM 790 CA PHE A 54 1.785 -3.756 -1.542 1.00 0.00 C ATOM 791 C PHE A 54 3.005 -2.961 -2.010 1.00 0.00 C ATOM 792 O PHE A 54 3.743 -3.407 -2.886 1.00 0.00 O ATOM 793 CB PHE A 54 2.253 -5.099 -0.977 1.00 0.00 C ATOM 794 CG PHE A 54 1.498 -5.542 0.278 1.00 0.00 C ATOM 795 CD1 PHE A 54 1.815 -5.006 1.487 1.00 0.00 C ATOM 796 CD2 PHE A 54 0.511 -6.473 0.185 1.00 0.00 C ATOM 797 CE1 PHE A 54 1.115 -5.417 2.652 1.00 0.00 C ATOM 798 CE2 PHE A 54 -0.189 -6.885 1.350 1.00 0.00 C ATOM 799 CZ PHE A 54 0.128 -6.348 2.559 1.00 0.00 C ATOM 0 H PHE A 54 1.350 -4.484 -3.458 1.00 0.00 H new ATOM 0 HA PHE A 54 1.261 -3.160 -0.795 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.141 -5.864 -1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.316 -5.034 -0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.599 -4.267 1.561 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.259 -6.899 -0.775 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.366 -4.990 3.612 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.973 -7.624 1.276 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.404 -6.661 3.445 1.00 0.00 H new ATOM 809 N VAL A 55 3.180 -1.795 -1.404 1.00 0.00 N ATOM 810 CA VAL A 55 4.298 -0.933 -1.747 1.00 0.00 C ATOM 811 C VAL A 55 5.301 -0.922 -0.591 1.00 0.00 C ATOM 812 O VAL A 55 4.918 -1.061 0.569 1.00 0.00 O ATOM 813 CB VAL A 55 3.789 0.463 -2.111 1.00 0.00 C ATOM 814 CG1 VAL A 55 4.927 1.485 -2.085 1.00 0.00 C ATOM 815 CG2 VAL A 55 3.090 0.455 -3.472 1.00 0.00 C ATOM 0 H VAL A 55 2.566 -1.428 -0.677 1.00 0.00 H new ATOM 0 HA VAL A 55 4.819 -1.314 -2.625 1.00 0.00 H new ATOM 0 HB VAL A 55 3.056 0.758 -1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.538 2.469 -2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.361 1.521 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.694 1.194 -2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.738 1.460 -3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.792 0.128 -4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.242 -0.229 -3.441 1.00 0.00 H new ATOM 825 N GLN A 56 6.565 -0.755 -0.950 1.00 0.00 N ATOM 826 CA GLN A 56 7.626 -0.724 0.043 1.00 0.00 C ATOM 827 C GLN A 56 8.597 0.421 -0.254 1.00 0.00 C ATOM 828 O GLN A 56 9.355 0.362 -1.222 1.00 0.00 O ATOM 829 CB GLN A 56 8.361 -2.065 0.103 1.00 0.00 C ATOM 830 CG GLN A 56 9.519 -2.011 1.101 1.00 0.00 C ATOM 831 CD GLN A 56 9.244 -2.911 2.308 1.00 0.00 C ATOM 832 OE1 GLN A 56 8.511 -3.883 2.236 1.00 0.00 O ATOM 833 NE2 GLN A 56 9.872 -2.533 3.418 1.00 0.00 N ATOM 0 H GLN A 56 6.879 -0.640 -1.914 1.00 0.00 H new ATOM 0 HA GLN A 56 7.177 -0.550 1.021 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.665 -2.853 0.391 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.740 -2.320 -0.886 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.441 -2.325 0.611 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.669 -0.984 1.435 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.472 -1.708 3.409 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.754 -3.068 4.278 1.00 0.00 H new ATOM 842 N TYR A 57 8.544 1.435 0.596 1.00 0.00 N ATOM 843 CA TYR A 57 9.409 2.592 0.436 1.00 0.00 C ATOM 844 C TYR A 57 10.765 2.358 1.105 1.00 0.00 C ATOM 845 O TYR A 57 10.948 1.373 1.819 1.00 0.00 O ATOM 846 CB TYR A 57 8.700 3.750 1.141 1.00 0.00 C ATOM 847 CG TYR A 57 7.422 4.215 0.440 1.00 0.00 C ATOM 848 CD1 TYR A 57 6.271 3.458 0.530 1.00 0.00 C ATOM 849 CD2 TYR A 57 7.419 5.391 -0.281 1.00 0.00 C ATOM 850 CE1 TYR A 57 5.068 3.896 -0.129 1.00 0.00 C ATOM 851 CE2 TYR A 57 6.216 5.829 -0.941 1.00 0.00 C ATOM 852 CZ TYR A 57 5.100 5.060 -0.832 1.00 0.00 C ATOM 853 OH TYR A 57 3.964 5.474 -1.455 1.00 0.00 O ATOM 0 H TYR A 57 7.916 1.480 1.398 1.00 0.00 H new ATOM 0 HA TYR A 57 9.589 2.793 -0.620 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.454 3.447 2.159 1.00 0.00 H new ATOM 0 HB3 TYR A 57 9.388 4.592 1.217 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.273 2.537 1.095 1.00 0.00 H new ATOM 0 HD2 TYR A 57 8.319 5.984 -0.351 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.161 3.313 -0.067 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.201 6.747 -1.509 1.00 0.00 H new ATOM 0 HH TYR A 57 4.198 6.054 -2.210 1.00 0.00 H new ATOM 863 N VAL A 58 11.682 3.280 0.850 1.00 0.00 N ATOM 864 CA VAL A 58 13.016 3.187 1.418 1.00 0.00 C ATOM 865 C VAL A 58 12.936 3.391 2.933 1.00 0.00 C ATOM 866 O VAL A 58 13.768 2.874 3.677 1.00 0.00 O ATOM 867 CB VAL A 58 13.949 4.184 0.729 1.00 0.00 C ATOM 868 CG1 VAL A 58 15.053 4.650 1.681 1.00 0.00 C ATOM 869 CG2 VAL A 58 14.543 3.586 -0.548 1.00 0.00 C ATOM 0 H VAL A 58 11.527 4.095 0.257 1.00 0.00 H new ATOM 0 HA VAL A 58 13.436 2.196 1.245 1.00 0.00 H new ATOM 0 HB VAL A 58 13.359 5.056 0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.702 5.358 1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.605 5.133 2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.639 3.791 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.203 4.315 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.111 2.690 -0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.739 3.327 -1.237 1.00 0.00 H new ATOM 879 N ASN A 59 11.927 4.145 3.343 1.00 0.00 N ATOM 880 CA ASN A 59 11.728 4.424 4.755 1.00 0.00 C ATOM 881 C ASN A 59 10.233 4.367 5.076 1.00 0.00 C ATOM 882 O ASN A 59 9.397 4.486 4.181 1.00 0.00 O ATOM 883 CB ASN A 59 12.236 5.821 5.118 1.00 0.00 C ATOM 884 CG ASN A 59 13.642 6.054 4.563 1.00 0.00 C ATOM 885 OD1 ASN A 59 13.890 6.966 3.791 1.00 0.00 O ATOM 886 ND2 ASN A 59 14.547 5.181 4.998 1.00 0.00 N ATOM 0 H ASN A 59 11.239 4.571 2.723 1.00 0.00 H new ATOM 0 HA ASN A 59 12.282 3.679 5.327 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.555 6.574 4.721 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.245 5.939 6.202 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.515 5.252 4.686 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.272 4.441 5.644 1.00 0.00 H new ATOM 893 N GLU A 60 9.941 4.184 6.355 1.00 0.00 N ATOM 894 CA GLU A 60 8.562 4.109 6.805 1.00 0.00 C ATOM 895 C GLU A 60 7.896 5.484 6.708 1.00 0.00 C ATOM 896 O GLU A 60 6.825 5.618 6.120 1.00 0.00 O ATOM 897 CB GLU A 60 8.479 3.560 8.231 1.00 0.00 C ATOM 898 CG GLU A 60 7.024 3.337 8.649 1.00 0.00 C ATOM 899 CD GLU A 60 6.876 3.394 10.170 1.00 0.00 C ATOM 900 OE1 GLU A 60 7.137 2.350 10.806 1.00 0.00 O ATOM 901 OE2 GLU A 60 6.504 4.481 10.664 1.00 0.00 O ATOM 0 H GLU A 60 10.637 4.085 7.094 1.00 0.00 H new ATOM 0 HA GLU A 60 8.025 3.420 6.153 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.028 2.620 8.295 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.957 4.256 8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.390 4.095 8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.681 2.369 8.283 1.00 0.00 H new ATOM 908 N ARG A 61 8.560 6.469 7.294 1.00 0.00 N ATOM 909 CA ARG A 61 8.046 7.829 7.281 1.00 0.00 C ATOM 910 C ARG A 61 7.599 8.213 5.869 1.00 0.00 C ATOM 911 O ARG A 61 6.567 8.859 5.695 1.00 0.00 O ATOM 912 CB ARG A 61 9.106 8.822 7.761 1.00 0.00 C ATOM 913 CG ARG A 61 8.530 10.237 7.850 1.00 0.00 C ATOM 914 CD ARG A 61 9.592 11.233 8.323 1.00 0.00 C ATOM 915 NE ARG A 61 9.497 12.484 7.538 1.00 0.00 N ATOM 916 CZ ARG A 61 8.425 13.288 7.533 1.00 0.00 C ATOM 917 NH1 ARG A 61 7.350 12.976 8.270 1.00 0.00 N ATOM 918 NH2 ARG A 61 8.428 14.404 6.791 1.00 0.00 N ATOM 0 H ARG A 61 9.449 6.353 7.781 1.00 0.00 H new ATOM 0 HA ARG A 61 7.194 7.869 7.959 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.481 8.516 8.738 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.954 8.813 7.077 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.150 10.541 6.875 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.685 10.247 8.538 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.455 11.448 9.383 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.585 10.798 8.212 1.00 0.00 H new ATOM 0 HE ARG A 61 10.298 12.751 6.965 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.348 12.127 8.835 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.534 13.588 8.266 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.246 14.641 6.230 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.612 15.016 6.787 1.00 0.00 H new ATOM 932 N ASN A 62 8.399 7.801 4.896 1.00 0.00 N ATOM 933 CA ASN A 62 8.099 8.095 3.505 1.00 0.00 C ATOM 934 C ASN A 62 6.895 7.261 3.061 1.00 0.00 C ATOM 935 O ASN A 62 6.126 7.685 2.200 1.00 0.00 O ATOM 936 CB ASN A 62 9.280 7.739 2.600 1.00 0.00 C ATOM 937 CG ASN A 62 10.248 8.917 2.473 1.00 0.00 C ATOM 938 OD1 ASN A 62 9.987 10.020 2.926 1.00 0.00 O ATOM 939 ND2 ASN A 62 11.377 8.623 1.835 1.00 0.00 N ATOM 0 H ASN A 62 9.255 7.266 5.044 1.00 0.00 H new ATOM 0 HA ASN A 62 7.890 9.162 3.423 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.805 6.874 3.005 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.914 7.456 1.613 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.088 9.341 1.700 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.532 7.679 1.481 1.00 0.00 H new ATOM 946 N ALA A 63 6.769 6.090 3.669 1.00 0.00 N ATOM 947 CA ALA A 63 5.672 5.194 3.347 1.00 0.00 C ATOM 948 C ALA A 63 4.366 5.779 3.888 1.00 0.00 C ATOM 949 O ALA A 63 3.475 6.134 3.118 1.00 0.00 O ATOM 950 CB ALA A 63 5.967 3.803 3.912 1.00 0.00 C ATOM 0 H ALA A 63 7.409 5.742 4.383 1.00 0.00 H new ATOM 0 HA ALA A 63 5.564 5.091 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.144 3.130 3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.889 3.420 3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.079 3.866 4.994 1.00 0.00 H new ATOM 956 N ARG A 64 4.293 5.860 5.208 1.00 0.00 N ATOM 957 CA ARG A 64 3.111 6.395 5.861 1.00 0.00 C ATOM 958 C ARG A 64 2.584 7.609 5.093 1.00 0.00 C ATOM 959 O ARG A 64 1.377 7.840 5.041 1.00 0.00 O ATOM 960 CB ARG A 64 3.416 6.806 7.303 1.00 0.00 C ATOM 961 CG ARG A 64 2.245 7.579 7.913 1.00 0.00 C ATOM 962 CD ARG A 64 2.581 8.060 9.325 1.00 0.00 C ATOM 963 NE ARG A 64 1.816 7.278 10.322 1.00 0.00 N ATOM 964 CZ ARG A 64 1.801 7.545 11.635 1.00 0.00 C ATOM 965 NH1 ARG A 64 2.509 8.576 12.118 1.00 0.00 N ATOM 966 NH2 ARG A 64 1.078 6.782 12.466 1.00 0.00 N ATOM 0 H ARG A 64 5.034 5.564 5.843 1.00 0.00 H new ATOM 0 HA ARG A 64 2.355 5.610 5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.622 5.919 7.902 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.315 7.422 7.327 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.001 8.434 7.282 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.361 6.942 7.943 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.650 7.953 9.510 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.345 9.120 9.423 1.00 0.00 H new ATOM 0 HE ARG A 64 1.266 6.486 9.989 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.059 9.157 11.486 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.497 8.779 13.118 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.539 5.998 12.099 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.067 6.985 13.465 1.00 0.00 H new ATOM 980 N ALA A 65 3.516 8.354 4.516 1.00 0.00 N ATOM 981 CA ALA A 65 3.161 9.539 3.753 1.00 0.00 C ATOM 982 C ALA A 65 2.076 9.179 2.737 1.00 0.00 C ATOM 983 O ALA A 65 0.953 9.674 2.821 1.00 0.00 O ATOM 984 CB ALA A 65 4.414 10.114 3.090 1.00 0.00 C ATOM 0 H ALA A 65 4.516 8.160 4.562 1.00 0.00 H new ATOM 0 HA ALA A 65 2.756 10.311 4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.148 11.003 2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.142 10.381 3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.847 9.369 2.422 1.00 0.00 H new ATOM 990 N ALA A 66 2.449 8.321 1.799 1.00 0.00 N ATOM 991 CA ALA A 66 1.522 7.889 0.767 1.00 0.00 C ATOM 992 C ALA A 66 0.265 7.314 1.425 1.00 0.00 C ATOM 993 O ALA A 66 -0.849 7.564 0.967 1.00 0.00 O ATOM 994 CB ALA A 66 2.213 6.879 -0.151 1.00 0.00 C ATOM 0 H ALA A 66 3.381 7.913 1.732 1.00 0.00 H new ATOM 0 HA ALA A 66 1.215 8.733 0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.517 6.555 -0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.082 7.345 -0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.533 6.016 0.433 1.00 0.00 H new ATOM 1000 N VAL A 67 0.487 6.556 2.488 1.00 0.00 N ATOM 1001 CA VAL A 67 -0.613 5.944 3.213 1.00 0.00 C ATOM 1002 C VAL A 67 -1.610 7.028 3.628 1.00 0.00 C ATOM 1003 O VAL A 67 -2.807 6.765 3.741 1.00 0.00 O ATOM 1004 CB VAL A 67 -0.076 5.140 4.399 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -1.219 4.638 5.284 1.00 0.00 C ATOM 1006 CG2 VAL A 67 0.800 3.979 3.923 1.00 0.00 C ATOM 0 H VAL A 67 1.413 6.352 2.865 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.146 5.239 2.575 1.00 0.00 H new ATOM 0 HB VAL A 67 0.546 5.804 5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.810 4.070 6.119 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.784 5.488 5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.879 3.998 4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.169 3.424 4.786 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.212 3.316 3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.644 4.369 3.355 1.00 0.00 H new ATOM 1016 N ALA A 68 -1.081 8.223 3.844 1.00 0.00 N ATOM 1017 CA ALA A 68 -1.909 9.347 4.244 1.00 0.00 C ATOM 1018 C ALA A 68 -2.346 10.122 2.999 1.00 0.00 C ATOM 1019 O ALA A 68 -3.457 10.648 2.949 1.00 0.00 O ATOM 1020 CB ALA A 68 -1.139 10.223 5.234 1.00 0.00 C ATOM 0 H ALA A 68 -0.088 8.437 3.749 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.810 8.998 4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.761 11.066 5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.877 9.635 6.113 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.229 10.593 4.761 1.00 0.00 H new ATOM 1026 N GLY A 69 -1.450 10.166 2.024 1.00 0.00 N ATOM 1027 CA GLY A 69 -1.730 10.867 0.782 1.00 0.00 C ATOM 1028 C GLY A 69 -2.560 9.998 -0.164 1.00 0.00 C ATOM 1029 O GLY A 69 -3.755 10.232 -0.340 1.00 0.00 O ATOM 0 H GLY A 69 -0.530 9.728 2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.266 11.792 0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.794 11.145 0.298 1.00 0.00 H new ATOM 1033 N GLU A 70 -1.895 9.012 -0.748 1.00 0.00 N ATOM 1034 CA GLU A 70 -2.556 8.106 -1.671 1.00 0.00 C ATOM 1035 C GLU A 70 -3.958 7.761 -1.163 1.00 0.00 C ATOM 1036 O GLU A 70 -4.955 8.123 -1.786 1.00 0.00 O ATOM 1037 CB GLU A 70 -1.725 6.840 -1.888 1.00 0.00 C ATOM 1038 CG GLU A 70 -0.888 6.947 -3.165 1.00 0.00 C ATOM 1039 CD GLU A 70 -1.776 7.224 -4.380 1.00 0.00 C ATOM 1040 OE1 GLU A 70 -2.523 6.297 -4.761 1.00 0.00 O ATOM 1041 OE2 GLU A 70 -1.687 8.357 -4.901 1.00 0.00 O ATOM 0 H GLU A 70 -0.904 8.821 -0.599 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.652 8.607 -2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.070 6.679 -1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.384 5.974 -1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.154 7.745 -3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.333 6.022 -3.319 1.00 0.00 H new ATOM 1048 N ASP A 71 -3.989 7.064 -0.037 1.00 0.00 N ATOM 1049 CA ASP A 71 -5.251 6.665 0.562 1.00 0.00 C ATOM 1050 C ASP A 71 -6.266 7.799 0.404 1.00 0.00 C ATOM 1051 O ASP A 71 -6.106 8.867 0.994 1.00 0.00 O ATOM 1052 CB ASP A 71 -5.087 6.382 2.057 1.00 0.00 C ATOM 1053 CG ASP A 71 -6.390 6.101 2.809 1.00 0.00 C ATOM 1054 OD1 ASP A 71 -6.830 4.932 2.763 1.00 0.00 O ATOM 1055 OD2 ASP A 71 -6.916 7.061 3.412 1.00 0.00 O ATOM 0 H ASP A 71 -3.160 6.765 0.477 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.591 5.760 0.059 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.423 5.526 2.179 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.594 7.236 2.521 1.00 0.00 H new ATOM 1060 N GLY A 72 -7.288 7.529 -0.395 1.00 0.00 N ATOM 1061 CA GLY A 72 -8.329 8.514 -0.638 1.00 0.00 C ATOM 1062 C GLY A 72 -8.218 9.091 -2.050 1.00 0.00 C ATOM 1063 O GLY A 72 -8.680 10.202 -2.309 1.00 0.00 O ATOM 0 H GLY A 72 -7.418 6.642 -0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.308 8.054 -0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.252 9.318 0.094 1.00 0.00 H new ATOM 1067 N ARG A 73 -7.602 8.312 -2.927 1.00 0.00 N ATOM 1068 CA ARG A 73 -7.425 8.732 -4.307 1.00 0.00 C ATOM 1069 C ARG A 73 -8.415 8.001 -5.216 1.00 0.00 C ATOM 1070 O ARG A 73 -8.583 6.787 -5.107 1.00 0.00 O ATOM 1071 CB ARG A 73 -6.000 8.455 -4.788 1.00 0.00 C ATOM 1072 CG ARG A 73 -5.489 9.593 -5.674 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.266 9.152 -6.481 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.470 10.335 -6.880 1.00 0.00 N ATOM 1075 CZ ARG A 73 -3.760 11.116 -7.930 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -4.828 10.845 -8.692 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -2.981 12.168 -8.217 1.00 0.00 N ATOM 0 H ARG A 73 -7.219 7.392 -2.709 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.609 9.805 -4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.340 8.333 -3.929 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.976 7.518 -5.344 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.280 9.914 -6.352 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.231 10.452 -5.055 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.653 8.474 -5.887 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.583 8.601 -7.366 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.650 10.570 -6.321 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.421 10.044 -8.473 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.049 11.439 -9.491 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.168 12.374 -7.637 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.201 12.763 -9.016 1.00 0.00 H new ATOM 1091 N MET A 74 -9.044 8.770 -6.092 1.00 0.00 N ATOM 1092 CA MET A 74 -10.012 8.210 -7.020 1.00 0.00 C ATOM 1093 C MET A 74 -9.322 7.670 -8.273 1.00 0.00 C ATOM 1094 O MET A 74 -9.080 8.413 -9.223 1.00 0.00 O ATOM 1095 CB MET A 74 -11.021 9.290 -7.418 1.00 0.00 C ATOM 1096 CG MET A 74 -12.456 8.777 -7.280 1.00 0.00 C ATOM 1097 SD MET A 74 -13.601 10.144 -7.334 1.00 0.00 S ATOM 1098 CE MET A 74 -15.147 9.260 -7.209 1.00 0.00 C ATOM 0 H MET A 74 -8.902 9.776 -6.179 1.00 0.00 H new ATOM 0 HA MET A 74 -10.525 7.384 -6.527 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.884 10.170 -6.790 1.00 0.00 H new ATOM 0 HB3 MET A 74 -10.839 9.601 -8.447 1.00 0.00 H new ATOM 0 HG2 MET A 74 -12.678 8.074 -8.083 1.00 0.00 H new ATOM 0 HG3 MET A 74 -12.568 8.235 -6.341 1.00 0.00 H new ATOM 0 HE1 MET A 74 -15.943 9.955 -6.944 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.377 8.793 -8.166 1.00 0.00 H new ATOM 0 HE3 MET A 74 -15.066 8.492 -6.440 1.00 0.00 H new ATOM 1108 N ILE A 75 -9.023 6.379 -8.236 1.00 0.00 N ATOM 1109 CA ILE A 75 -8.366 5.730 -9.357 1.00 0.00 C ATOM 1110 C ILE A 75 -9.359 4.801 -10.057 1.00 0.00 C ATOM 1111 O ILE A 75 -9.898 3.884 -9.440 1.00 0.00 O ATOM 1112 CB ILE A 75 -7.087 5.027 -8.894 1.00 0.00 C ATOM 1113 CG1 ILE A 75 -5.957 5.225 -9.906 1.00 0.00 C ATOM 1114 CG2 ILE A 75 -7.349 3.547 -8.608 1.00 0.00 C ATOM 1115 CD1 ILE A 75 -5.101 6.440 -9.542 1.00 0.00 C ATOM 0 H ILE A 75 -9.224 5.765 -7.446 1.00 0.00 H new ATOM 0 HA ILE A 75 -8.048 6.469 -10.092 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.764 5.483 -7.958 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.332 4.332 -9.938 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.376 5.357 -10.903 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.425 3.070 -8.281 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.101 3.455 -7.825 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.708 3.059 -9.514 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.305 6.558 -10.277 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.724 7.335 -9.534 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.664 6.294 -8.554 1.00 0.00 H new ATOM 1127 N ALA A 76 -9.571 5.071 -11.337 1.00 0.00 N ATOM 1128 CA ALA A 76 -10.491 4.271 -12.128 1.00 0.00 C ATOM 1129 C ALA A 76 -11.923 4.739 -11.866 1.00 0.00 C ATOM 1130 O ALA A 76 -12.872 4.192 -12.427 1.00 0.00 O ATOM 1131 CB ALA A 76 -10.292 2.790 -11.799 1.00 0.00 C ATOM 0 H ALA A 76 -9.122 5.832 -11.846 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.293 4.398 -13.192 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.982 2.190 -12.392 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.267 2.500 -12.031 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.485 2.624 -10.739 1.00 0.00 H new ATOM 1137 N GLY A 77 -12.036 5.748 -11.014 1.00 0.00 N ATOM 1138 CA GLY A 77 -13.337 6.297 -10.672 1.00 0.00 C ATOM 1139 C GLY A 77 -13.751 5.883 -9.258 1.00 0.00 C ATOM 1140 O GLY A 77 -14.765 6.351 -8.742 1.00 0.00 O ATOM 0 H GLY A 77 -11.247 6.199 -10.550 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.307 7.384 -10.743 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.082 5.951 -11.389 1.00 0.00 H new ATOM 1144 N GLN A 78 -12.945 5.010 -8.671 1.00 0.00 N ATOM 1145 CA GLN A 78 -13.215 4.528 -7.327 1.00 0.00 C ATOM 1146 C GLN A 78 -12.093 4.949 -6.377 1.00 0.00 C ATOM 1147 O GLN A 78 -10.961 5.169 -6.806 1.00 0.00 O ATOM 1148 CB GLN A 78 -13.402 3.010 -7.317 1.00 0.00 C ATOM 1149 CG GLN A 78 -14.648 2.605 -8.106 1.00 0.00 C ATOM 1150 CD GLN A 78 -14.366 1.388 -8.991 1.00 0.00 C ATOM 1151 OE1 GLN A 78 -15.077 0.398 -8.974 1.00 0.00 O ATOM 1152 NE2 GLN A 78 -13.290 1.519 -9.762 1.00 0.00 N ATOM 0 H GLN A 78 -12.105 4.624 -9.102 1.00 0.00 H new ATOM 0 HA GLN A 78 -14.145 4.978 -6.980 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -12.523 2.529 -7.747 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -13.488 2.658 -6.289 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -15.461 2.377 -7.417 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -14.979 3.440 -8.724 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.738 2.376 -9.727 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -13.016 0.762 -10.389 1.00 0.00 H new ATOM 1161 N VAL A 79 -12.445 5.049 -5.104 1.00 0.00 N ATOM 1162 CA VAL A 79 -11.481 5.440 -4.089 1.00 0.00 C ATOM 1163 C VAL A 79 -10.603 4.239 -3.736 1.00 0.00 C ATOM 1164 O VAL A 79 -11.036 3.093 -3.849 1.00 0.00 O ATOM 1165 CB VAL A 79 -12.207 6.026 -2.876 1.00 0.00 C ATOM 1166 CG1 VAL A 79 -11.225 6.329 -1.743 1.00 0.00 C ATOM 1167 CG2 VAL A 79 -13.000 7.276 -3.263 1.00 0.00 C ATOM 0 H VAL A 79 -13.385 4.866 -4.752 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.824 6.223 -4.468 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.914 5.279 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.767 6.744 -0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.724 5.409 -1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.483 7.049 -2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.506 7.673 -2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -12.320 8.029 -3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.739 7.018 -4.021 1.00 0.00 H new ATOM 1177 N LEU A 80 -9.383 4.541 -3.316 1.00 0.00 N ATOM 1178 CA LEU A 80 -8.439 3.500 -2.947 1.00 0.00 C ATOM 1179 C LEU A 80 -8.281 3.478 -1.425 1.00 0.00 C ATOM 1180 O LEU A 80 -7.997 4.505 -0.812 1.00 0.00 O ATOM 1181 CB LEU A 80 -7.119 3.681 -3.700 1.00 0.00 C ATOM 1182 CG LEU A 80 -7.204 3.619 -5.226 1.00 0.00 C ATOM 1183 CD1 LEU A 80 -5.814 3.722 -5.857 1.00 0.00 C ATOM 1184 CD2 LEU A 80 -7.950 2.364 -5.683 1.00 0.00 C ATOM 0 H LEU A 80 -9.027 5.492 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.816 2.521 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.692 4.644 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.423 2.913 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.779 4.478 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.903 3.675 -6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.354 4.668 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.194 2.896 -5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.996 2.344 -6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.425 1.478 -5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.962 2.374 -5.277 1.00 0.00 H new ATOM 1196 N ASP A 81 -8.472 2.295 -0.860 1.00 0.00 N ATOM 1197 CA ASP A 81 -8.354 2.125 0.578 1.00 0.00 C ATOM 1198 C ASP A 81 -6.956 1.600 0.913 1.00 0.00 C ATOM 1199 O ASP A 81 -6.686 0.409 0.771 1.00 0.00 O ATOM 1200 CB ASP A 81 -9.376 1.113 1.099 1.00 0.00 C ATOM 1201 CG ASP A 81 -10.539 1.716 1.889 1.00 0.00 C ATOM 1202 OD1 ASP A 81 -11.087 2.731 1.407 1.00 0.00 O ATOM 1203 OD2 ASP A 81 -10.854 1.149 2.958 1.00 0.00 O ATOM 0 H ASP A 81 -8.708 1.445 -1.372 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.533 3.092 1.047 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.781 0.559 0.252 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.860 0.393 1.734 1.00 0.00 H new ATOM 1208 N ILE A 82 -6.105 2.516 1.351 1.00 0.00 N ATOM 1209 CA ILE A 82 -4.741 2.160 1.707 1.00 0.00 C ATOM 1210 C ILE A 82 -4.545 2.353 3.212 1.00 0.00 C ATOM 1211 O ILE A 82 -5.232 3.163 3.833 1.00 0.00 O ATOM 1212 CB ILE A 82 -3.743 2.943 0.852 1.00 0.00 C ATOM 1213 CG1 ILE A 82 -4.240 3.075 -0.589 1.00 0.00 C ATOM 1214 CG2 ILE A 82 -2.350 2.315 0.922 1.00 0.00 C ATOM 1215 CD1 ILE A 82 -3.160 3.680 -1.489 1.00 0.00 C ATOM 0 H ILE A 82 -6.333 3.503 1.468 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.553 1.108 1.493 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.663 3.951 1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.528 2.095 -0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.132 3.701 -0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.660 2.891 0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.002 2.317 1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.394 1.289 0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.539 3.763 -2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.892 4.670 -1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.279 3.039 -1.481 1.00 0.00 H new ATOM 1227 N ASN A 83 -3.605 1.593 3.755 1.00 0.00 N ATOM 1228 CA ASN A 83 -3.310 1.670 5.176 1.00 0.00 C ATOM 1229 C ASN A 83 -1.963 0.998 5.450 1.00 0.00 C ATOM 1230 O ASN A 83 -1.623 0.000 4.816 1.00 0.00 O ATOM 1231 CB ASN A 83 -4.376 0.945 6.000 1.00 0.00 C ATOM 1232 CG ASN A 83 -4.519 -0.511 5.551 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -5.463 -0.890 4.878 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -3.532 -1.303 5.961 1.00 0.00 N ATOM 0 H ASN A 83 -3.038 0.921 3.237 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.289 2.722 5.459 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.110 0.979 7.056 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.332 1.457 5.896 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.536 -2.293 5.714 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.771 -0.921 6.522 1.00 0.00 H new ATOM 1241 N LEU A 84 -1.232 1.572 6.394 1.00 0.00 N ATOM 1242 CA LEU A 84 0.070 1.042 6.759 1.00 0.00 C ATOM 1243 C LEU A 84 -0.096 -0.380 7.300 1.00 0.00 C ATOM 1244 O LEU A 84 -0.920 -0.620 8.181 1.00 0.00 O ATOM 1245 CB LEU A 84 0.782 1.989 7.727 1.00 0.00 C ATOM 1246 CG LEU A 84 2.049 2.662 7.197 1.00 0.00 C ATOM 1247 CD1 LEU A 84 2.486 3.808 8.112 1.00 0.00 C ATOM 1248 CD2 LEU A 84 3.167 1.639 6.985 1.00 0.00 C ATOM 0 H LEU A 84 -1.517 2.400 6.917 1.00 0.00 H new ATOM 0 HA LEU A 84 0.714 0.977 5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.079 2.767 8.026 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.040 1.430 8.626 1.00 0.00 H new ATOM 0 HG LEU A 84 1.822 3.096 6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.389 4.269 7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.692 4.553 8.167 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.689 3.420 9.110 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.056 2.144 6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.400 1.153 7.933 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.842 0.889 6.263 1.00 0.00 H new ATOM 1260 N ALA A 85 0.699 -1.285 6.749 1.00 0.00 N ATOM 1261 CA ALA A 85 0.650 -2.676 7.165 1.00 0.00 C ATOM 1262 C ALA A 85 1.082 -2.782 8.629 1.00 0.00 C ATOM 1263 O ALA A 85 2.224 -3.135 8.919 1.00 0.00 O ATOM 1264 CB ALA A 85 1.527 -3.519 6.237 1.00 0.00 C ATOM 0 H ALA A 85 1.381 -1.082 6.018 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.367 -3.062 7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.490 -4.562 6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.161 -3.434 5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.556 -3.162 6.285 1.00 0.00 H new ATOM 1270 N ALA A 86 0.145 -2.470 9.513 1.00 0.00 N ATOM 1271 CA ALA A 86 0.415 -2.525 10.940 1.00 0.00 C ATOM 1272 C ALA A 86 -0.901 -2.389 11.709 1.00 0.00 C ATOM 1273 O ALA A 86 -1.266 -3.273 12.483 1.00 0.00 O ATOM 1274 CB ALA A 86 1.423 -1.435 11.312 1.00 0.00 C ATOM 0 H ALA A 86 -0.801 -2.178 9.269 1.00 0.00 H new ATOM 0 HA ALA A 86 0.858 -3.484 11.210 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.625 -1.476 12.382 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.350 -1.593 10.761 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.012 -0.458 11.058 1.00 0.00 H new