USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 664 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 THR OG1 : rot -104:sc= 0.00118 USER MOD Set 1.2: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 22 ASN : amide:sc= 0.374 K(o=0.78,f=-0.15) USER MOD Set 2.2: A 100 SER OG : rot -78:sc= 0.407 USER MOD Single : A 17 THR OG1 : rot 24:sc= -0.37! USER MOD Single : A 33 ASN : amide:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 41 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.071) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 64:sc= 0.224 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -157:sc= -0.0937 (180deg=-0.453) USER MOD Single : A 57 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.37) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 71 LYS NZ :NH3+ 160:sc= -1.62 (180deg=-2.45!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0024 USER MOD Single : A 76 ASN : amide:sc= -10.6! C(o=-11!,f=-11!) USER MOD Single : A 78 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.088) USER MOD Single : A 81 LYS NZ :NH3+ -167:sc= -0.0835 (180deg=-0.367) USER MOD Single : A 82 ASN : amide:sc= -3.36! C(o=-3.4!,f=-13!) USER MOD Single : A 85 HIS : no HE2:sc= -0.032 K(o=-0.032,f=-1.1) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-3.4!) USER MOD Single : A 105 HIS : no HE2:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 196 N VAL A 16 -7.348 0.730 2.440 1.00 0.00 N ATOM 197 CA VAL A 16 -6.011 0.148 2.481 1.00 0.00 C ATOM 198 C VAL A 16 -6.065 -1.324 2.872 1.00 0.00 C ATOM 199 O VAL A 16 -6.867 -1.726 3.716 1.00 0.00 O ATOM 200 CB VAL A 16 -5.103 0.899 3.473 1.00 0.00 C ATOM 201 CG1 VAL A 16 -4.022 -0.026 4.013 1.00 0.00 C ATOM 202 CG2 VAL A 16 -4.488 2.122 2.811 1.00 0.00 C ATOM 0 HA VAL A 16 -5.594 0.239 1.478 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.711 1.236 4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.390 0.522 4.712 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.487 -0.868 4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.414 -0.396 3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.850 2.641 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.893 1.810 1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.280 2.793 2.479 1.00 0.00 H new ATOM 212 N THR A 17 -5.204 -2.127 2.254 1.00 0.00 N ATOM 213 CA THR A 17 -5.153 -3.556 2.537 1.00 0.00 C ATOM 214 C THR A 17 -3.752 -4.112 2.308 1.00 0.00 C ATOM 215 O THR A 17 -3.185 -3.964 1.226 1.00 0.00 O ATOM 216 CB THR A 17 -6.152 -4.337 1.663 1.00 0.00 C ATOM 217 OG1 THR A 17 -5.677 -4.401 0.314 1.00 0.00 O ATOM 218 CG2 THR A 17 -7.524 -3.682 1.693 1.00 0.00 C ATOM 0 H THR A 17 -4.532 -1.812 1.554 1.00 0.00 H new ATOM 0 HA THR A 17 -5.424 -3.681 3.585 1.00 0.00 H new ATOM 0 HB THR A 17 -6.240 -5.347 2.064 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.703 -4.297 0.305 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.213 -4.251 1.069 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.895 -3.662 2.718 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.449 -2.663 1.314 1.00 0.00 H new ATOM 226 N GLU A 18 -3.199 -4.752 3.334 1.00 0.00 N ATOM 227 CA GLU A 18 -1.863 -5.330 3.243 1.00 0.00 C ATOM 228 C GLU A 18 -1.928 -6.776 2.760 1.00 0.00 C ATOM 229 O GLU A 18 -2.640 -7.600 3.332 1.00 0.00 O ATOM 230 CB GLU A 18 -1.162 -5.265 4.601 1.00 0.00 C ATOM 231 CG GLU A 18 -0.544 -3.910 4.903 1.00 0.00 C ATOM 232 CD GLU A 18 -0.487 -3.612 6.388 1.00 0.00 C ATOM 233 OE1 GLU A 18 -1.443 -3.977 7.104 1.00 0.00 O ATOM 234 OE2 GLU A 18 0.515 -3.015 6.835 1.00 0.00 O ATOM 0 H GLU A 18 -3.655 -4.883 4.237 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.292 -4.749 2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.880 -5.510 5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.382 -6.026 4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.464 -3.875 4.490 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.121 -3.132 4.402 1.00 0.00 H new ATOM 241 N GLU A 19 -1.180 -7.075 1.702 1.00 0.00 N ATOM 242 CA GLU A 19 -1.153 -8.420 1.142 1.00 0.00 C ATOM 243 C GLU A 19 0.282 -8.909 0.968 1.00 0.00 C ATOM 244 O GLU A 19 1.186 -8.122 0.692 1.00 0.00 O ATOM 245 CB GLU A 19 -1.881 -8.451 -0.204 1.00 0.00 C ATOM 246 CG GLU A 19 -1.967 -9.838 -0.818 1.00 0.00 C ATOM 247 CD GLU A 19 -3.194 -10.603 -0.362 1.00 0.00 C ATOM 248 OE1 GLU A 19 -4.307 -10.042 -0.441 1.00 0.00 O ATOM 249 OE2 GLU A 19 -3.041 -11.763 0.075 1.00 0.00 O ATOM 0 H GLU A 19 -0.585 -6.404 1.216 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.663 -9.086 1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.889 -8.059 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.369 -7.786 -0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.981 -9.750 -1.904 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.073 -10.403 -0.556 1.00 0.00 H new ATOM 256 N GLU A 20 0.480 -10.213 1.131 1.00 0.00 N ATOM 257 CA GLU A 20 1.805 -10.807 0.994 1.00 0.00 C ATOM 258 C GLU A 20 1.938 -11.539 -0.339 1.00 0.00 C ATOM 259 O GLU A 20 1.271 -12.547 -0.574 1.00 0.00 O ATOM 260 CB GLU A 20 2.078 -11.773 2.148 1.00 0.00 C ATOM 261 CG GLU A 20 3.555 -11.946 2.461 1.00 0.00 C ATOM 262 CD GLU A 20 3.801 -12.922 3.594 1.00 0.00 C ATOM 263 OE1 GLU A 20 3.568 -14.133 3.397 1.00 0.00 O ATOM 264 OE2 GLU A 20 4.228 -12.475 4.679 1.00 0.00 O ATOM 0 H GLU A 20 -0.259 -10.878 1.358 1.00 0.00 H new ATOM 0 HA GLU A 20 2.540 -10.002 1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.566 -11.413 3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.650 -12.746 1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.073 -12.294 1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.983 -10.978 2.721 1.00 0.00 H new ATOM 271 N ILE A 21 2.801 -11.023 -1.207 1.00 0.00 N ATOM 272 CA ILE A 21 3.022 -11.627 -2.515 1.00 0.00 C ATOM 273 C ILE A 21 4.207 -12.586 -2.485 1.00 0.00 C ATOM 274 O ILE A 21 5.362 -12.161 -2.477 1.00 0.00 O ATOM 275 CB ILE A 21 3.268 -10.558 -3.595 1.00 0.00 C ATOM 276 CG1 ILE A 21 2.111 -9.557 -3.626 1.00 0.00 C ATOM 277 CG2 ILE A 21 3.446 -11.211 -4.957 1.00 0.00 C ATOM 278 CD1 ILE A 21 0.833 -10.128 -4.197 1.00 0.00 C ATOM 0 H ILE A 21 3.359 -10.188 -1.028 1.00 0.00 H new ATOM 0 HA ILE A 21 2.116 -12.180 -2.763 1.00 0.00 H new ATOM 0 HB ILE A 21 4.184 -10.020 -3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.920 -9.203 -2.613 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.407 -8.690 -4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.619 -10.442 -5.710 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.300 -11.888 -4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.547 -11.772 -5.212 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.057 -9.363 -4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.007 -10.456 -5.222 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.512 -10.977 -3.594 1.00 0.00 H new ATOM 290 N ASN A 22 3.913 -13.882 -2.471 1.00 0.00 N ATOM 291 CA ASN A 22 4.955 -14.902 -2.443 1.00 0.00 C ATOM 292 C ASN A 22 5.352 -15.312 -3.858 1.00 0.00 C ATOM 293 O ASN A 22 4.622 -16.037 -4.534 1.00 0.00 O ATOM 294 CB ASN A 22 4.478 -16.127 -1.660 1.00 0.00 C ATOM 295 CG ASN A 22 4.283 -15.832 -0.186 1.00 0.00 C ATOM 296 OD1 ASN A 22 5.170 -16.079 0.631 1.00 0.00 O ATOM 297 ND2 ASN A 22 3.116 -15.300 0.162 1.00 0.00 N ATOM 0 H ASN A 22 2.962 -14.251 -2.479 1.00 0.00 H new ATOM 0 HA ASN A 22 5.829 -14.480 -1.947 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.539 -16.482 -2.084 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.204 -16.932 -1.773 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.927 -15.080 1.140 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.409 -15.112 -0.549 1.00 0.00 H new ATOM 304 N LEU A 23 6.515 -14.843 -4.299 1.00 0.00 N ATOM 305 CA LEU A 23 7.011 -15.161 -5.633 1.00 0.00 C ATOM 306 C LEU A 23 8.333 -15.918 -5.556 1.00 0.00 C ATOM 307 O LEU A 23 9.007 -15.912 -4.525 1.00 0.00 O ATOM 308 CB LEU A 23 7.190 -13.881 -6.450 1.00 0.00 C ATOM 309 CG LEU A 23 5.905 -13.154 -6.850 1.00 0.00 C ATOM 310 CD1 LEU A 23 6.229 -11.836 -7.536 1.00 0.00 C ATOM 311 CD2 LEU A 23 5.055 -14.034 -7.755 1.00 0.00 C ATOM 0 H LEU A 23 7.131 -14.242 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 23 6.276 -15.799 -6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.810 -13.192 -5.877 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.742 -14.127 -7.357 1.00 0.00 H new ATOM 0 HG LEU A 23 5.335 -12.939 -5.946 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.303 -11.333 -7.813 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.797 -11.202 -6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.820 -12.028 -8.432 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.145 -13.501 -8.030 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.617 -14.280 -8.656 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.793 -14.952 -7.228 1.00 0.00 H new ATOM 323 N THR A 24 8.701 -16.569 -6.655 1.00 0.00 N ATOM 324 CA THR A 24 9.943 -17.330 -6.714 1.00 0.00 C ATOM 325 C THR A 24 10.906 -16.734 -7.734 1.00 0.00 C ATOM 326 O THR A 24 10.506 -16.372 -8.841 1.00 0.00 O ATOM 327 CB THR A 24 9.682 -18.805 -7.072 1.00 0.00 C ATOM 328 OG1 THR A 24 8.816 -19.400 -6.099 1.00 0.00 O ATOM 329 CG2 THR A 24 10.986 -19.584 -7.141 1.00 0.00 C ATOM 0 H THR A 24 8.156 -16.584 -7.517 1.00 0.00 H new ATOM 0 HA THR A 24 10.392 -17.279 -5.722 1.00 0.00 H new ATOM 0 HB THR A 24 9.205 -18.839 -8.051 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.339 -19.979 -5.506 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.776 -20.623 -7.395 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.631 -19.147 -7.903 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.487 -19.541 -6.174 1.00 0.00 H new ATOM 337 N ARG A 25 12.176 -16.635 -7.355 1.00 0.00 N ATOM 338 CA ARG A 25 13.196 -16.082 -8.237 1.00 0.00 C ATOM 339 C ARG A 25 13.325 -16.916 -9.509 1.00 0.00 C ATOM 340 O ARG A 25 13.347 -18.145 -9.457 1.00 0.00 O ATOM 341 CB ARG A 25 14.544 -16.018 -7.517 1.00 0.00 C ATOM 342 CG ARG A 25 15.616 -15.274 -8.296 1.00 0.00 C ATOM 343 CD ARG A 25 16.898 -15.137 -7.489 1.00 0.00 C ATOM 344 NE ARG A 25 18.067 -14.953 -8.345 1.00 0.00 N ATOM 345 CZ ARG A 25 19.283 -14.691 -7.880 1.00 0.00 C ATOM 346 NH1 ARG A 25 19.489 -14.584 -6.575 1.00 0.00 N ATOM 347 NH2 ARG A 25 20.297 -14.536 -8.723 1.00 0.00 N ATOM 0 H ARG A 25 12.523 -16.931 -6.443 1.00 0.00 H new ATOM 0 HA ARG A 25 12.892 -15.073 -8.514 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.407 -15.534 -6.550 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.889 -17.033 -7.319 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.825 -15.803 -9.226 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.249 -14.284 -8.568 1.00 0.00 H new ATOM 0 HD2 ARG A 25 16.810 -14.290 -6.809 1.00 0.00 H new ATOM 0 HD3 ARG A 25 17.036 -16.026 -6.874 1.00 0.00 H new ATOM 0 HE ARG A 25 17.943 -15.030 -9.354 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.712 -14.703 -5.925 1.00 0.00 H new ATOM 0 HH12 ARG A 25 20.424 -14.383 -6.221 1.00 0.00 H new ATOM 0 HH21 ARG A 25 20.142 -14.618 -9.728 1.00 0.00 H new ATOM 0 HH22 ARG A 25 21.231 -14.335 -8.366 1.00 0.00 H new ATOM 400 N LEU A 30 13.177 -11.204 -10.856 1.00 0.00 N ATOM 401 CA LEU A 30 11.753 -11.419 -10.623 1.00 0.00 C ATOM 402 C LEU A 30 10.967 -11.315 -11.926 1.00 0.00 C ATOM 403 O LEU A 30 10.535 -12.323 -12.485 1.00 0.00 O ATOM 404 CB LEU A 30 11.222 -10.402 -9.612 1.00 0.00 C ATOM 405 CG LEU A 30 11.771 -10.521 -8.189 1.00 0.00 C ATOM 406 CD1 LEU A 30 11.285 -9.364 -7.331 1.00 0.00 C ATOM 407 CD2 LEU A 30 11.368 -11.852 -7.572 1.00 0.00 C ATOM 0 HA LEU A 30 11.623 -12.424 -10.220 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.443 -9.401 -9.983 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.137 -10.494 -9.570 1.00 0.00 H new ATOM 0 HG LEU A 30 12.859 -10.479 -8.235 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.686 -9.466 -6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.625 -8.423 -7.763 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.196 -9.373 -7.291 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.767 -11.920 -6.560 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.281 -11.923 -7.539 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.767 -12.668 -8.175 1.00 0.00 H new ATOM 419 N GLY A 31 10.785 -10.088 -12.406 1.00 0.00 N ATOM 420 CA GLY A 31 10.053 -9.875 -13.641 1.00 0.00 C ATOM 421 C GLY A 31 9.289 -8.566 -13.643 1.00 0.00 C ATOM 422 O GLY A 31 8.190 -8.481 -14.193 1.00 0.00 O ATOM 0 H GLY A 31 11.132 -9.238 -11.961 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.749 -9.887 -14.479 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.356 -10.699 -13.794 1.00 0.00 H new ATOM 426 N PHE A 32 9.870 -7.543 -13.026 1.00 0.00 N ATOM 427 CA PHE A 32 9.235 -6.232 -12.957 1.00 0.00 C ATOM 428 C PHE A 32 10.221 -5.175 -12.466 1.00 0.00 C ATOM 429 O PHE A 32 11.165 -5.482 -11.739 1.00 0.00 O ATOM 430 CB PHE A 32 8.018 -6.279 -12.030 1.00 0.00 C ATOM 431 CG PHE A 32 8.356 -6.657 -10.616 1.00 0.00 C ATOM 432 CD1 PHE A 32 8.416 -7.988 -10.236 1.00 0.00 C ATOM 433 CD2 PHE A 32 8.612 -5.680 -9.667 1.00 0.00 C ATOM 434 CE1 PHE A 32 8.726 -8.339 -8.936 1.00 0.00 C ATOM 435 CE2 PHE A 32 8.923 -6.025 -8.365 1.00 0.00 C ATOM 436 CZ PHE A 32 8.979 -7.356 -7.999 1.00 0.00 C ATOM 0 H PHE A 32 10.779 -7.596 -12.567 1.00 0.00 H new ATOM 0 HA PHE A 32 8.908 -5.961 -13.961 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.533 -5.303 -12.031 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.297 -6.994 -12.426 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.218 -8.760 -10.965 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.568 -4.638 -9.948 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.770 -9.380 -8.653 1.00 0.00 H new ATOM 0 HE2 PHE A 32 9.122 -5.255 -7.635 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.220 -7.628 -6.982 1.00 0.00 H new ATOM 446 N ASN A 33 9.995 -3.930 -12.871 1.00 0.00 N ATOM 447 CA ASN A 33 10.863 -2.827 -12.474 1.00 0.00 C ATOM 448 C ASN A 33 10.316 -2.122 -11.236 1.00 0.00 C ATOM 449 O ASN A 33 9.105 -2.086 -11.015 1.00 0.00 O ATOM 450 CB ASN A 33 11.009 -1.827 -13.622 1.00 0.00 C ATOM 451 CG ASN A 33 12.224 -0.934 -13.459 1.00 0.00 C ATOM 452 OD1 ASN A 33 13.318 -1.266 -13.915 1.00 0.00 O ATOM 453 ND2 ASN A 33 12.036 0.207 -12.806 1.00 0.00 N ATOM 0 H ASN A 33 9.218 -3.659 -13.474 1.00 0.00 H new ATOM 0 HA ASN A 33 11.843 -3.238 -12.232 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.083 -2.369 -14.565 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.113 -1.210 -13.679 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.816 0.849 -12.666 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.111 0.442 -12.445 1.00 0.00 H new ATOM 460 N ILE A 34 11.215 -1.563 -10.435 1.00 0.00 N ATOM 461 CA ILE A 34 10.823 -0.857 -9.221 1.00 0.00 C ATOM 462 C ILE A 34 11.412 0.549 -9.188 1.00 0.00 C ATOM 463 O ILE A 34 12.374 0.847 -9.895 1.00 0.00 O ATOM 464 CB ILE A 34 11.267 -1.618 -7.958 1.00 0.00 C ATOM 465 CG1 ILE A 34 12.727 -2.059 -8.089 1.00 0.00 C ATOM 466 CG2 ILE A 34 10.365 -2.819 -7.719 1.00 0.00 C ATOM 467 CD1 ILE A 34 13.409 -2.292 -6.759 1.00 0.00 C ATOM 0 H ILE A 34 12.221 -1.585 -10.604 1.00 0.00 H new ATOM 0 HA ILE A 34 9.735 -0.792 -9.232 1.00 0.00 H new ATOM 0 HB ILE A 34 11.184 -0.950 -7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 34 12.770 -2.977 -8.676 1.00 0.00 H new ATOM 0 HG13 ILE A 34 13.279 -1.300 -8.643 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.692 -3.347 -6.823 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.337 -2.481 -7.587 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.419 -3.491 -8.576 1.00 0.00 H new ATOM 0 HD11 ILE A 34 14.440 -2.602 -6.928 1.00 0.00 H new ATOM 0 HD12 ILE A 34 13.398 -1.370 -6.178 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.881 -3.072 -6.211 1.00 0.00 H new ATOM 479 N VAL A 35 10.829 1.410 -8.359 1.00 0.00 N ATOM 480 CA VAL A 35 11.298 2.784 -8.230 1.00 0.00 C ATOM 481 C VAL A 35 11.460 3.174 -6.766 1.00 0.00 C ATOM 482 O VAL A 35 10.505 3.133 -5.992 1.00 0.00 O ATOM 483 CB VAL A 35 10.332 3.773 -8.910 1.00 0.00 C ATOM 484 CG1 VAL A 35 10.340 3.575 -10.418 1.00 0.00 C ATOM 485 CG2 VAL A 35 8.927 3.614 -8.350 1.00 0.00 C ATOM 0 H VAL A 35 10.031 1.180 -7.767 1.00 0.00 H new ATOM 0 HA VAL A 35 12.267 2.836 -8.726 1.00 0.00 H new ATOM 0 HB VAL A 35 10.670 4.788 -8.699 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.652 4.282 -10.881 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.346 3.743 -10.802 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.028 2.558 -10.653 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.257 4.320 -8.841 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.577 2.597 -8.529 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.938 3.810 -7.278 1.00 0.00 H new ATOM 495 N GLY A 36 12.678 3.554 -6.391 1.00 0.00 N ATOM 496 CA GLY A 36 12.944 3.947 -5.020 1.00 0.00 C ATOM 497 C GLY A 36 14.325 4.548 -4.846 1.00 0.00 C ATOM 498 O GLY A 36 15.097 4.634 -5.800 1.00 0.00 O ATOM 0 H GLY A 36 13.485 3.597 -7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.194 4.670 -4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.845 3.077 -4.370 1.00 0.00 H new ATOM 502 N GLY A 37 14.637 4.967 -3.623 1.00 0.00 N ATOM 503 CA GLY A 37 15.933 5.560 -3.350 1.00 0.00 C ATOM 504 C GLY A 37 15.837 7.034 -3.012 1.00 0.00 C ATOM 505 O GLY A 37 15.436 7.846 -3.847 1.00 0.00 O ATOM 0 H GLY A 37 14.015 4.906 -2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.404 5.031 -2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.578 5.431 -4.219 1.00 0.00 H new ATOM 509 N THR A 38 16.204 7.384 -1.783 1.00 0.00 N ATOM 510 CA THR A 38 16.155 8.770 -1.335 1.00 0.00 C ATOM 511 C THR A 38 16.696 9.712 -2.404 1.00 0.00 C ATOM 512 O THR A 38 16.351 10.894 -2.436 1.00 0.00 O ATOM 513 CB THR A 38 16.958 8.970 -0.037 1.00 0.00 C ATOM 514 OG1 THR A 38 18.279 8.438 -0.191 1.00 0.00 O ATOM 515 CG2 THR A 38 16.267 8.292 1.137 1.00 0.00 C ATOM 0 H THR A 38 16.539 6.726 -1.080 1.00 0.00 H new ATOM 0 HA THR A 38 15.108 9.004 -1.144 1.00 0.00 H new ATOM 0 HB THR A 38 17.018 10.039 0.165 1.00 0.00 H new ATOM 0 HG1 THR A 38 18.784 8.571 0.638 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.853 8.447 2.043 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.273 8.719 1.270 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.179 7.224 0.940 1.00 0.00 H new ATOM 523 N ASP A 39 17.545 9.183 -3.278 1.00 0.00 N ATOM 524 CA ASP A 39 18.132 9.977 -4.351 1.00 0.00 C ATOM 525 C ASP A 39 17.283 9.896 -5.615 1.00 0.00 C ATOM 526 O ASP A 39 17.138 10.880 -6.341 1.00 0.00 O ATOM 527 CB ASP A 39 19.556 9.501 -4.646 1.00 0.00 C ATOM 528 CG ASP A 39 20.593 10.220 -3.806 1.00 0.00 C ATOM 529 OD1 ASP A 39 20.484 11.456 -3.658 1.00 0.00 O ATOM 530 OD2 ASP A 39 21.513 9.548 -3.296 1.00 0.00 O ATOM 0 H ASP A 39 17.842 8.207 -3.265 1.00 0.00 H new ATOM 0 HA ASP A 39 18.165 11.016 -4.024 1.00 0.00 H new ATOM 0 HB2 ASP A 39 19.623 8.429 -4.461 1.00 0.00 H new ATOM 0 HB3 ASP A 39 19.777 9.657 -5.702 1.00 0.00 H new ATOM 535 N GLN A 40 16.726 8.717 -5.873 1.00 0.00 N ATOM 536 CA GLN A 40 15.893 8.508 -7.051 1.00 0.00 C ATOM 537 C GLN A 40 14.414 8.509 -6.679 1.00 0.00 C ATOM 538 O GLN A 40 13.574 8.024 -7.436 1.00 0.00 O ATOM 539 CB GLN A 40 16.258 7.188 -7.732 1.00 0.00 C ATOM 540 CG GLN A 40 17.753 7.004 -7.939 1.00 0.00 C ATOM 541 CD GLN A 40 18.233 7.567 -9.262 1.00 0.00 C ATOM 542 OE1 GLN A 40 18.138 8.770 -9.508 1.00 0.00 O ATOM 543 NE2 GLN A 40 18.752 6.699 -10.122 1.00 0.00 N ATOM 0 H GLN A 40 16.836 7.893 -5.282 1.00 0.00 H new ATOM 0 HA GLN A 40 16.075 9.329 -7.744 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.878 6.362 -7.131 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.757 7.136 -8.698 1.00 0.00 H new ATOM 0 HG2 GLN A 40 18.291 7.490 -7.125 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.994 5.942 -7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 40 18.811 5.711 -9.876 1.00 0.00 H new ATOM 0 HE22 GLN A 40 19.092 7.020 -11.029 1.00 0.00 H new ATOM 552 N GLN A 41 14.103 9.058 -5.509 1.00 0.00 N ATOM 553 CA GLN A 41 12.725 9.122 -5.037 1.00 0.00 C ATOM 554 C GLN A 41 11.760 9.323 -6.201 1.00 0.00 C ATOM 555 O GLN A 41 11.788 10.354 -6.873 1.00 0.00 O ATOM 556 CB GLN A 41 12.563 10.255 -4.023 1.00 0.00 C ATOM 557 CG GLN A 41 13.264 9.993 -2.700 1.00 0.00 C ATOM 558 CD GLN A 41 12.908 11.014 -1.638 1.00 0.00 C ATOM 559 OE1 GLN A 41 13.783 11.667 -1.069 1.00 0.00 O ATOM 560 NE2 GLN A 41 11.616 11.158 -1.365 1.00 0.00 N ATOM 0 H GLN A 41 14.787 9.465 -4.871 1.00 0.00 H new ATOM 0 HA GLN A 41 12.489 8.175 -4.553 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.953 11.176 -4.455 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.501 10.415 -3.836 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.000 8.997 -2.344 1.00 0.00 H new ATOM 0 HG3 GLN A 41 14.343 9.999 -2.857 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.924 10.596 -1.861 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.316 11.831 -0.660 1.00 0.00 H new ATOM 569 N TYR A 42 10.907 8.331 -6.434 1.00 0.00 N ATOM 570 CA TYR A 42 9.935 8.397 -7.518 1.00 0.00 C ATOM 571 C TYR A 42 9.194 9.731 -7.504 1.00 0.00 C ATOM 572 O TYR A 42 8.833 10.265 -8.553 1.00 0.00 O ATOM 573 CB TYR A 42 8.936 7.245 -7.407 1.00 0.00 C ATOM 574 CG TYR A 42 8.096 7.049 -8.649 1.00 0.00 C ATOM 575 CD1 TYR A 42 8.675 6.657 -9.849 1.00 0.00 C ATOM 576 CD2 TYR A 42 6.722 7.256 -8.621 1.00 0.00 C ATOM 577 CE1 TYR A 42 7.911 6.479 -10.986 1.00 0.00 C ATOM 578 CE2 TYR A 42 5.950 7.079 -9.753 1.00 0.00 C ATOM 579 CZ TYR A 42 6.549 6.690 -10.933 1.00 0.00 C ATOM 580 OH TYR A 42 5.785 6.512 -12.064 1.00 0.00 O ATOM 0 H TYR A 42 10.870 7.472 -5.886 1.00 0.00 H new ATOM 0 HA TYR A 42 10.474 8.311 -8.461 1.00 0.00 H new ATOM 0 HB2 TYR A 42 9.479 6.324 -7.197 1.00 0.00 H new ATOM 0 HB3 TYR A 42 8.277 7.427 -6.558 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.741 6.488 -9.894 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.250 7.560 -7.699 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.378 6.176 -11.912 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.883 7.244 -9.714 1.00 0.00 H new ATOM 0 HH TYR A 42 4.846 6.700 -11.857 1.00 0.00 H new ATOM 590 N VAL A 43 8.971 10.264 -6.307 1.00 0.00 N ATOM 591 CA VAL A 43 8.275 11.536 -6.155 1.00 0.00 C ATOM 592 C VAL A 43 8.753 12.279 -4.912 1.00 0.00 C ATOM 593 O VAL A 43 9.315 11.679 -3.996 1.00 0.00 O ATOM 594 CB VAL A 43 6.750 11.334 -6.064 1.00 0.00 C ATOM 595 CG1 VAL A 43 6.018 12.598 -6.488 1.00 0.00 C ATOM 596 CG2 VAL A 43 6.319 10.148 -6.913 1.00 0.00 C ATOM 0 H VAL A 43 9.262 9.835 -5.429 1.00 0.00 H new ATOM 0 HA VAL A 43 8.504 12.130 -7.040 1.00 0.00 H new ATOM 0 HB VAL A 43 6.490 11.123 -5.027 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.942 12.437 -6.417 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.305 13.421 -5.834 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.281 12.843 -7.517 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.239 10.020 -6.837 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.591 10.327 -7.953 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.817 9.246 -6.558 1.00 0.00 H new ATOM 606 N SER A 44 8.526 13.588 -4.888 1.00 0.00 N ATOM 607 CA SER A 44 8.936 14.414 -3.759 1.00 0.00 C ATOM 608 C SER A 44 8.407 13.843 -2.447 1.00 0.00 C ATOM 609 O SER A 44 9.070 13.917 -1.413 1.00 0.00 O ATOM 610 CB SER A 44 8.437 15.849 -3.941 1.00 0.00 C ATOM 611 OG SER A 44 9.282 16.575 -4.818 1.00 0.00 O ATOM 0 H SER A 44 8.060 14.099 -5.638 1.00 0.00 H new ATOM 0 HA SER A 44 10.025 14.418 -3.721 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.421 15.837 -4.336 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.396 16.349 -2.973 1.00 0.00 H new ATOM 0 HG SER A 44 8.941 17.488 -4.919 1.00 0.00 H new ATOM 617 N ASN A 45 7.208 13.272 -2.498 1.00 0.00 N ATOM 618 CA ASN A 45 6.588 12.688 -1.314 1.00 0.00 C ATOM 619 C ASN A 45 6.674 11.165 -1.350 1.00 0.00 C ATOM 620 O ASN A 45 6.147 10.482 -0.472 1.00 0.00 O ATOM 621 CB ASN A 45 5.126 13.125 -1.210 1.00 0.00 C ATOM 622 CG ASN A 45 4.968 14.633 -1.263 1.00 0.00 C ATOM 623 OD1 ASN A 45 5.279 15.335 -0.301 1.00 0.00 O ATOM 624 ND2 ASN A 45 4.482 15.137 -2.391 1.00 0.00 N ATOM 0 H ASN A 45 6.646 13.201 -3.346 1.00 0.00 H new ATOM 0 HA ASN A 45 7.130 13.044 -0.438 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.556 12.674 -2.022 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.703 12.751 -0.278 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.353 16.144 -2.486 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.238 14.517 -3.163 1.00 0.00 H new ATOM 631 N ASP A 46 7.342 10.640 -2.371 1.00 0.00 N ATOM 632 CA ASP A 46 7.499 9.198 -2.522 1.00 0.00 C ATOM 633 C ASP A 46 8.971 8.803 -2.467 1.00 0.00 C ATOM 634 O ASP A 46 9.755 9.166 -3.344 1.00 0.00 O ATOM 635 CB ASP A 46 6.882 8.732 -3.842 1.00 0.00 C ATOM 636 CG ASP A 46 6.600 7.242 -3.854 1.00 0.00 C ATOM 637 OD1 ASP A 46 5.554 6.831 -3.310 1.00 0.00 O ATOM 638 OD2 ASP A 46 7.426 6.487 -4.409 1.00 0.00 O ATOM 0 H ASP A 46 7.784 11.191 -3.107 1.00 0.00 H new ATOM 0 HA ASP A 46 6.980 8.712 -1.696 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.954 9.276 -4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.557 8.978 -4.662 1.00 0.00 H new ATOM 643 N SER A 47 9.340 8.057 -1.430 1.00 0.00 N ATOM 644 CA SER A 47 10.719 7.617 -1.257 1.00 0.00 C ATOM 645 C SER A 47 10.801 6.094 -1.209 1.00 0.00 C ATOM 646 O SER A 47 11.819 5.504 -1.570 1.00 0.00 O ATOM 647 CB SER A 47 11.311 8.212 0.022 1.00 0.00 C ATOM 648 OG SER A 47 10.649 7.711 1.171 1.00 0.00 O ATOM 0 H SER A 47 8.703 7.745 -0.697 1.00 0.00 H new ATOM 0 HA SER A 47 11.296 7.968 -2.112 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.374 7.976 0.079 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.227 9.298 -0.006 1.00 0.00 H new ATOM 0 HG SER A 47 11.047 8.105 1.975 1.00 0.00 H new ATOM 654 N GLY A 48 9.721 5.464 -0.759 1.00 0.00 N ATOM 655 CA GLY A 48 9.690 4.015 -0.671 1.00 0.00 C ATOM 656 C GLY A 48 9.907 3.348 -2.014 1.00 0.00 C ATOM 657 O GLY A 48 10.191 4.017 -3.008 1.00 0.00 O ATOM 0 H GLY A 48 8.867 5.930 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.458 3.680 0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.730 3.699 -0.263 1.00 0.00 H new ATOM 661 N ILE A 49 9.774 2.026 -2.045 1.00 0.00 N ATOM 662 CA ILE A 49 9.958 1.269 -3.276 1.00 0.00 C ATOM 663 C ILE A 49 8.617 0.869 -3.882 1.00 0.00 C ATOM 664 O ILE A 49 7.829 0.158 -3.257 1.00 0.00 O ATOM 665 CB ILE A 49 10.799 0.001 -3.037 1.00 0.00 C ATOM 666 CG1 ILE A 49 11.984 0.313 -2.121 1.00 0.00 C ATOM 667 CG2 ILE A 49 11.282 -0.572 -4.361 1.00 0.00 C ATOM 668 CD1 ILE A 49 12.754 1.549 -2.531 1.00 0.00 C ATOM 0 H ILE A 49 9.539 1.458 -1.231 1.00 0.00 H new ATOM 0 HA ILE A 49 10.488 1.921 -3.971 1.00 0.00 H new ATOM 0 HB ILE A 49 10.173 -0.745 -2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 49 11.621 0.442 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 49 12.661 -0.541 -2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.875 -1.468 -4.175 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.423 -0.828 -4.982 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.894 0.168 -4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 49 13.580 1.710 -1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 49 13.147 1.415 -3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 49 12.091 2.414 -2.512 1.00 0.00 H new ATOM 680 N TYR A 50 8.364 1.328 -5.102 1.00 0.00 N ATOM 681 CA TYR A 50 7.118 1.020 -5.793 1.00 0.00 C ATOM 682 C TYR A 50 7.389 0.309 -7.115 1.00 0.00 C ATOM 683 O TYR A 50 8.538 0.035 -7.462 1.00 0.00 O ATOM 684 CB TYR A 50 6.318 2.299 -6.043 1.00 0.00 C ATOM 685 CG TYR A 50 5.944 3.037 -4.777 1.00 0.00 C ATOM 686 CD1 TYR A 50 6.876 3.814 -4.101 1.00 0.00 C ATOM 687 CD2 TYR A 50 4.658 2.957 -4.258 1.00 0.00 C ATOM 688 CE1 TYR A 50 6.539 4.489 -2.944 1.00 0.00 C ATOM 689 CE2 TYR A 50 4.311 3.629 -3.102 1.00 0.00 C ATOM 690 CZ TYR A 50 5.255 4.394 -2.448 1.00 0.00 C ATOM 691 OH TYR A 50 4.915 5.065 -1.296 1.00 0.00 O ATOM 0 H TYR A 50 9.006 1.916 -5.634 1.00 0.00 H new ATOM 0 HA TYR A 50 6.535 0.354 -5.156 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.901 2.963 -6.682 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.409 2.048 -6.589 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.882 3.892 -4.487 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.917 2.359 -4.767 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.277 5.088 -2.430 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.306 3.556 -2.712 1.00 0.00 H new ATOM 0 HH TYR A 50 4.993 6.031 -1.445 1.00 0.00 H new ATOM 701 N VAL A 51 6.322 0.015 -7.851 1.00 0.00 N ATOM 702 CA VAL A 51 6.443 -0.662 -9.137 1.00 0.00 C ATOM 703 C VAL A 51 6.050 0.263 -10.284 1.00 0.00 C ATOM 704 O VAL A 51 4.912 0.726 -10.358 1.00 0.00 O ATOM 705 CB VAL A 51 5.568 -1.928 -9.190 1.00 0.00 C ATOM 706 CG1 VAL A 51 5.722 -2.629 -10.531 1.00 0.00 C ATOM 707 CG2 VAL A 51 5.920 -2.866 -8.045 1.00 0.00 C ATOM 0 H VAL A 51 5.364 0.235 -7.579 1.00 0.00 H new ATOM 0 HA VAL A 51 7.489 -0.948 -9.247 1.00 0.00 H new ATOM 0 HB VAL A 51 4.525 -1.632 -9.080 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.096 -3.521 -10.549 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.416 -1.955 -11.331 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.764 -2.914 -10.675 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.292 -3.756 -8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.968 -3.156 -8.121 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.752 -2.359 -7.095 1.00 0.00 H new ATOM 717 N SER A 52 6.999 0.527 -11.176 1.00 0.00 N ATOM 718 CA SER A 52 6.753 1.399 -12.318 1.00 0.00 C ATOM 719 C SER A 52 6.200 0.605 -13.499 1.00 0.00 C ATOM 720 O SER A 52 5.224 1.010 -14.130 1.00 0.00 O ATOM 721 CB SER A 52 8.042 2.113 -12.729 1.00 0.00 C ATOM 722 OG SER A 52 7.979 2.544 -14.077 1.00 0.00 O ATOM 0 H SER A 52 7.945 0.149 -11.130 1.00 0.00 H new ATOM 0 HA SER A 52 6.012 2.142 -12.023 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.210 2.970 -12.077 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.891 1.442 -12.598 1.00 0.00 H new ATOM 0 HG SER A 52 8.814 2.999 -14.314 1.00 0.00 H new ATOM 728 N ARG A 53 6.832 -0.527 -13.790 1.00 0.00 N ATOM 729 CA ARG A 53 6.405 -1.377 -14.895 1.00 0.00 C ATOM 730 C ARG A 53 6.606 -2.851 -14.555 1.00 0.00 C ATOM 731 O ARG A 53 7.550 -3.213 -13.852 1.00 0.00 O ATOM 732 CB ARG A 53 7.179 -1.025 -16.166 1.00 0.00 C ATOM 733 CG ARG A 53 6.396 -1.274 -17.445 1.00 0.00 C ATOM 734 CD ARG A 53 6.619 -2.684 -17.969 1.00 0.00 C ATOM 735 NE ARG A 53 5.773 -2.979 -19.123 1.00 0.00 N ATOM 736 CZ ARG A 53 6.006 -3.976 -19.968 1.00 0.00 C ATOM 737 NH1 ARG A 53 7.052 -4.771 -19.790 1.00 0.00 N ATOM 738 NH2 ARG A 53 5.190 -4.181 -20.995 1.00 0.00 N ATOM 0 H ARG A 53 7.641 -0.877 -13.276 1.00 0.00 H new ATOM 0 HA ARG A 53 5.343 -1.203 -15.066 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.468 0.025 -16.126 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.099 -1.608 -16.194 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.333 -1.118 -17.259 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.696 -0.551 -18.203 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.666 -2.806 -18.246 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.413 -3.402 -17.176 1.00 0.00 H new ATOM 0 HE ARG A 53 4.959 -2.387 -19.288 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.681 -4.618 -19.002 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.228 -5.536 -20.441 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.384 -3.572 -21.135 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.369 -4.947 -21.644 1.00 0.00 H new ATOM 752 N ILE A 54 5.713 -3.696 -15.059 1.00 0.00 N ATOM 753 CA ILE A 54 5.793 -5.130 -14.809 1.00 0.00 C ATOM 754 C ILE A 54 5.883 -5.911 -16.116 1.00 0.00 C ATOM 755 O ILE A 54 4.959 -5.892 -16.929 1.00 0.00 O ATOM 756 CB ILE A 54 4.578 -5.631 -14.008 1.00 0.00 C ATOM 757 CG1 ILE A 54 4.536 -4.963 -12.632 1.00 0.00 C ATOM 758 CG2 ILE A 54 4.624 -7.145 -13.866 1.00 0.00 C ATOM 759 CD1 ILE A 54 3.382 -5.425 -11.770 1.00 0.00 C ATOM 0 H ILE A 54 4.926 -3.413 -15.643 1.00 0.00 H new ATOM 0 HA ILE A 54 6.697 -5.298 -14.224 1.00 0.00 H new ATOM 0 HB ILE A 54 3.670 -5.364 -14.549 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.472 -5.165 -12.111 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.471 -3.883 -12.763 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.758 -7.484 -13.297 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.611 -7.604 -14.855 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.536 -7.434 -13.344 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.416 -4.910 -10.810 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.441 -5.198 -12.270 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.457 -6.500 -11.607 1.00 0.00 H new ATOM 771 N LYS A 55 7.003 -6.600 -16.311 1.00 0.00 N ATOM 772 CA LYS A 55 7.214 -7.391 -17.517 1.00 0.00 C ATOM 773 C LYS A 55 6.048 -8.345 -17.753 1.00 0.00 C ATOM 774 O LYS A 55 5.311 -8.679 -16.827 1.00 0.00 O ATOM 775 CB LYS A 55 8.520 -8.182 -17.411 1.00 0.00 C ATOM 776 CG LYS A 55 9.737 -7.414 -17.898 1.00 0.00 C ATOM 777 CD LYS A 55 10.874 -8.350 -18.273 1.00 0.00 C ATOM 778 CE LYS A 55 11.697 -8.743 -17.056 1.00 0.00 C ATOM 779 NZ LYS A 55 12.440 -7.584 -16.491 1.00 0.00 N ATOM 0 H LYS A 55 7.778 -6.626 -15.649 1.00 0.00 H new ATOM 0 HA LYS A 55 7.278 -6.707 -18.363 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.676 -8.473 -16.372 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.426 -9.102 -17.988 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.464 -6.808 -18.762 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.071 -6.728 -17.120 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.469 -9.246 -18.744 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.517 -7.866 -19.008 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.040 -9.160 -16.293 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.402 -9.527 -17.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.256 -7.927 -15.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.772 -6.974 -17.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.811 -7.040 -15.867 1.00 0.00 H new ATOM 793 N GLU A 56 5.889 -8.781 -18.999 1.00 0.00 N ATOM 794 CA GLU A 56 4.812 -9.698 -19.355 1.00 0.00 C ATOM 795 C GLU A 56 5.277 -11.148 -19.256 1.00 0.00 C ATOM 796 O GLU A 56 4.476 -12.054 -19.030 1.00 0.00 O ATOM 797 CB GLU A 56 4.311 -9.407 -20.771 1.00 0.00 C ATOM 798 CG GLU A 56 3.020 -10.128 -21.121 1.00 0.00 C ATOM 799 CD GLU A 56 1.787 -9.334 -20.738 1.00 0.00 C ATOM 800 OE1 GLU A 56 1.627 -8.204 -21.246 1.00 0.00 O ATOM 801 OE2 GLU A 56 0.981 -9.841 -19.929 1.00 0.00 O ATOM 0 H GLU A 56 6.491 -8.514 -19.778 1.00 0.00 H new ATOM 0 HA GLU A 56 3.994 -9.548 -18.650 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.158 -8.333 -20.880 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.082 -9.693 -21.486 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.000 -10.330 -22.192 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.998 -11.093 -20.614 1.00 0.00 H new ATOM 808 N ASN A 57 6.578 -11.359 -19.429 1.00 0.00 N ATOM 809 CA ASN A 57 7.150 -12.699 -19.361 1.00 0.00 C ATOM 810 C ASN A 57 7.994 -12.866 -18.101 1.00 0.00 C ATOM 811 O ASN A 57 9.088 -13.427 -18.143 1.00 0.00 O ATOM 812 CB ASN A 57 8.004 -12.975 -20.600 1.00 0.00 C ATOM 813 CG ASN A 57 8.653 -11.718 -21.147 1.00 0.00 C ATOM 814 OD1 ASN A 57 9.855 -11.505 -20.984 1.00 0.00 O ATOM 815 ND2 ASN A 57 7.859 -10.878 -21.799 1.00 0.00 N ATOM 0 H ASN A 57 7.255 -10.620 -19.617 1.00 0.00 H new ATOM 0 HA ASN A 57 6.330 -13.416 -19.326 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.778 -13.701 -20.350 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.382 -13.426 -21.374 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.239 -10.015 -22.189 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.869 -11.095 -21.910 1.00 0.00 H new ATOM 822 N GLY A 58 7.476 -12.375 -16.979 1.00 0.00 N ATOM 823 CA GLY A 58 8.194 -12.481 -15.722 1.00 0.00 C ATOM 824 C GLY A 58 7.407 -13.231 -14.666 1.00 0.00 C ATOM 825 O GLY A 58 6.233 -13.543 -14.862 1.00 0.00 O ATOM 0 H GLY A 58 6.572 -11.906 -16.918 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.144 -12.988 -15.891 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.427 -11.481 -15.355 1.00 0.00 H new ATOM 829 N ALA A 59 8.056 -13.523 -13.543 1.00 0.00 N ATOM 830 CA ALA A 59 7.409 -14.241 -12.452 1.00 0.00 C ATOM 831 C ALA A 59 6.184 -13.485 -11.947 1.00 0.00 C ATOM 832 O ALA A 59 5.163 -14.087 -11.617 1.00 0.00 O ATOM 833 CB ALA A 59 8.394 -14.473 -11.315 1.00 0.00 C ATOM 0 H ALA A 59 9.029 -13.273 -13.365 1.00 0.00 H new ATOM 0 HA ALA A 59 7.076 -15.207 -12.833 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.897 -15.010 -10.507 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.236 -15.062 -11.678 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.755 -13.513 -10.945 1.00 0.00 H new ATOM 839 N ALA A 60 6.294 -12.161 -11.888 1.00 0.00 N ATOM 840 CA ALA A 60 5.196 -11.323 -11.424 1.00 0.00 C ATOM 841 C ALA A 60 3.985 -11.448 -12.343 1.00 0.00 C ATOM 842 O ALA A 60 2.848 -11.535 -11.879 1.00 0.00 O ATOM 843 CB ALA A 60 5.642 -9.872 -11.330 1.00 0.00 C ATOM 0 H ALA A 60 7.133 -11.647 -12.156 1.00 0.00 H new ATOM 0 HA ALA A 60 4.904 -11.666 -10.432 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.811 -9.258 -10.982 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.472 -9.791 -10.628 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.963 -9.526 -12.312 1.00 0.00 H new ATOM 849 N ALA A 61 4.236 -11.454 -13.648 1.00 0.00 N ATOM 850 CA ALA A 61 3.167 -11.569 -14.631 1.00 0.00 C ATOM 851 C ALA A 61 2.530 -12.955 -14.591 1.00 0.00 C ATOM 852 O ALA A 61 1.361 -13.102 -14.232 1.00 0.00 O ATOM 853 CB ALA A 61 3.697 -11.270 -16.026 1.00 0.00 C ATOM 0 H ALA A 61 5.171 -11.380 -14.049 1.00 0.00 H new ATOM 0 HA ALA A 61 2.399 -10.837 -14.382 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.887 -11.360 -16.750 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.098 -10.257 -16.054 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.486 -11.979 -16.275 1.00 0.00 H new ATOM 859 N LEU A 62 3.306 -13.967 -14.962 1.00 0.00 N ATOM 860 CA LEU A 62 2.817 -15.342 -14.969 1.00 0.00 C ATOM 861 C LEU A 62 1.922 -15.608 -13.764 1.00 0.00 C ATOM 862 O LEU A 62 0.838 -16.176 -13.896 1.00 0.00 O ATOM 863 CB LEU A 62 3.992 -16.321 -14.972 1.00 0.00 C ATOM 864 CG LEU A 62 4.915 -16.259 -16.190 1.00 0.00 C ATOM 865 CD1 LEU A 62 6.186 -17.056 -15.938 1.00 0.00 C ATOM 866 CD2 LEU A 62 4.197 -16.773 -17.430 1.00 0.00 C ATOM 0 H LEU A 62 4.275 -13.862 -15.262 1.00 0.00 H new ATOM 0 HA LEU A 62 2.228 -15.488 -15.874 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.590 -16.142 -14.079 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.596 -17.333 -14.893 1.00 0.00 H new ATOM 0 HG LEU A 62 5.191 -15.218 -16.360 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.830 -17.000 -16.815 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.710 -16.643 -15.076 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.930 -18.097 -15.742 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.869 -16.722 -18.287 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.891 -17.807 -17.271 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.317 -16.159 -17.622 1.00 0.00 H new ATOM 878 N ASP A 63 2.381 -15.191 -12.589 1.00 0.00 N ATOM 879 CA ASP A 63 1.621 -15.381 -11.359 1.00 0.00 C ATOM 880 C ASP A 63 0.523 -14.329 -11.231 1.00 0.00 C ATOM 881 O ASP A 63 -0.544 -14.595 -10.681 1.00 0.00 O ATOM 882 CB ASP A 63 2.549 -15.319 -10.145 1.00 0.00 C ATOM 883 CG ASP A 63 2.055 -16.174 -8.995 1.00 0.00 C ATOM 884 OD1 ASP A 63 0.824 -16.337 -8.862 1.00 0.00 O ATOM 885 OD2 ASP A 63 2.900 -16.680 -8.226 1.00 0.00 O ATOM 0 H ASP A 63 3.276 -14.719 -12.462 1.00 0.00 H new ATOM 0 HA ASP A 63 1.154 -16.365 -11.398 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.546 -15.648 -10.436 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.639 -14.285 -9.813 1.00 0.00 H new ATOM 890 N GLY A 64 0.795 -13.132 -11.742 1.00 0.00 N ATOM 891 CA GLY A 64 -0.178 -12.058 -11.674 1.00 0.00 C ATOM 892 C GLY A 64 -0.402 -11.568 -10.257 1.00 0.00 C ATOM 893 O GLY A 64 -1.383 -10.879 -9.979 1.00 0.00 O ATOM 0 H GLY A 64 1.672 -12.887 -12.202 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.159 -11.227 -12.294 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.125 -12.403 -12.090 1.00 0.00 H new ATOM 897 N ARG A 65 0.510 -11.926 -9.358 1.00 0.00 N ATOM 898 CA ARG A 65 0.405 -11.521 -7.961 1.00 0.00 C ATOM 899 C ARG A 65 0.675 -10.027 -7.807 1.00 0.00 C ATOM 900 O ARG A 65 -0.234 -9.247 -7.521 1.00 0.00 O ATOM 901 CB ARG A 65 1.387 -12.319 -7.102 1.00 0.00 C ATOM 902 CG ARG A 65 1.094 -13.810 -7.068 1.00 0.00 C ATOM 903 CD ARG A 65 -0.286 -14.095 -6.496 1.00 0.00 C ATOM 904 NE ARG A 65 -0.438 -13.562 -5.145 1.00 0.00 N ATOM 905 CZ ARG A 65 -1.340 -14.008 -4.277 1.00 0.00 C ATOM 906 NH1 ARG A 65 -2.165 -14.988 -4.618 1.00 0.00 N ATOM 907 NH2 ARG A 65 -1.418 -13.473 -3.066 1.00 0.00 N ATOM 0 H ARG A 65 1.329 -12.495 -9.572 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.611 -11.726 -7.624 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.397 -12.164 -7.481 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.366 -11.930 -6.084 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.162 -14.218 -8.076 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.849 -14.317 -6.467 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.045 -13.659 -7.145 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.458 -15.171 -6.483 1.00 0.00 H new ATOM 0 HE ARG A 65 0.182 -12.807 -4.852 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.108 -15.402 -5.549 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.856 -15.328 -3.950 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.785 -12.718 -2.800 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.111 -13.816 -2.401 1.00 0.00 H new ATOM 921 N LEU A 66 1.930 -9.635 -7.997 1.00 0.00 N ATOM 922 CA LEU A 66 2.321 -8.235 -7.878 1.00 0.00 C ATOM 923 C LEU A 66 1.887 -7.443 -9.107 1.00 0.00 C ATOM 924 O LEU A 66 2.030 -7.906 -10.238 1.00 0.00 O ATOM 925 CB LEU A 66 3.836 -8.122 -7.693 1.00 0.00 C ATOM 926 CG LEU A 66 4.405 -6.703 -7.670 1.00 0.00 C ATOM 927 CD1 LEU A 66 4.353 -6.130 -6.262 1.00 0.00 C ATOM 928 CD2 LEU A 66 5.831 -6.691 -8.201 1.00 0.00 C ATOM 0 H LEU A 66 2.694 -10.267 -8.234 1.00 0.00 H new ATOM 0 HA LEU A 66 1.822 -7.817 -7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.106 -8.615 -6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.322 -8.674 -8.497 1.00 0.00 H new ATOM 0 HG LEU A 66 3.793 -6.076 -8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.762 -5.120 -6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.319 -6.102 -5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.941 -6.757 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.220 -5.673 -8.177 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.456 -7.333 -7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.840 -7.059 -9.227 1.00 0.00 H new ATOM 940 N GLN A 67 1.359 -6.245 -8.877 1.00 0.00 N ATOM 941 CA GLN A 67 0.905 -5.388 -9.966 1.00 0.00 C ATOM 942 C GLN A 67 1.649 -4.056 -9.956 1.00 0.00 C ATOM 943 O GLN A 67 2.450 -3.789 -9.061 1.00 0.00 O ATOM 944 CB GLN A 67 -0.601 -5.146 -9.859 1.00 0.00 C ATOM 945 CG GLN A 67 -1.429 -6.418 -9.938 1.00 0.00 C ATOM 946 CD GLN A 67 -1.826 -6.768 -11.359 1.00 0.00 C ATOM 947 OE1 GLN A 67 -2.571 -6.031 -12.007 1.00 0.00 O ATOM 948 NE2 GLN A 67 -1.330 -7.896 -11.852 1.00 0.00 N ATOM 0 H GLN A 67 1.235 -5.846 -7.947 1.00 0.00 H new ATOM 0 HA GLN A 67 1.118 -5.895 -10.907 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.813 -4.642 -8.916 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.910 -4.471 -10.657 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.861 -7.244 -9.509 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.327 -6.301 -9.332 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.717 -8.476 -11.280 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.562 -8.183 -12.803 1.00 0.00 H new ATOM 957 N GLU A 68 1.377 -3.225 -10.957 1.00 0.00 N ATOM 958 CA GLU A 68 2.022 -1.921 -11.063 1.00 0.00 C ATOM 959 C GLU A 68 1.441 -0.943 -10.046 1.00 0.00 C ATOM 960 O GLU A 68 0.259 -1.007 -9.712 1.00 0.00 O ATOM 961 CB GLU A 68 1.859 -1.361 -12.477 1.00 0.00 C ATOM 962 CG GLU A 68 2.690 -2.090 -13.520 1.00 0.00 C ATOM 963 CD GLU A 68 2.214 -1.825 -14.935 1.00 0.00 C ATOM 964 OE1 GLU A 68 0.988 -1.689 -15.132 1.00 0.00 O ATOM 965 OE2 GLU A 68 3.066 -1.753 -15.845 1.00 0.00 O ATOM 0 H GLU A 68 0.715 -3.431 -11.705 1.00 0.00 H new ATOM 0 HA GLU A 68 3.083 -2.050 -10.851 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.808 -1.414 -12.761 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.136 -0.307 -12.475 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.732 -1.784 -13.428 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.654 -3.162 -13.323 1.00 0.00 H new ATOM 972 N GLY A 69 2.282 -0.037 -9.558 1.00 0.00 N ATOM 973 CA GLY A 69 1.835 0.942 -8.584 1.00 0.00 C ATOM 974 C GLY A 69 1.777 0.377 -7.179 1.00 0.00 C ATOM 975 O GLY A 69 1.220 0.999 -6.274 1.00 0.00 O ATOM 0 H GLY A 69 3.265 0.037 -9.820 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.508 1.799 -8.600 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.847 1.307 -8.867 1.00 0.00 H new ATOM 979 N ASP A 70 2.353 -0.806 -6.994 1.00 0.00 N ATOM 980 CA ASP A 70 2.364 -1.456 -5.689 1.00 0.00 C ATOM 981 C ASP A 70 3.506 -0.925 -4.827 1.00 0.00 C ATOM 982 O ASP A 70 4.601 -0.659 -5.323 1.00 0.00 O ATOM 983 CB ASP A 70 2.493 -2.972 -5.851 1.00 0.00 C ATOM 984 CG ASP A 70 1.179 -3.627 -6.230 1.00 0.00 C ATOM 985 OD1 ASP A 70 0.335 -2.947 -6.849 1.00 0.00 O ATOM 986 OD2 ASP A 70 0.996 -4.820 -5.908 1.00 0.00 O ATOM 0 H ASP A 70 2.819 -1.334 -7.732 1.00 0.00 H new ATOM 0 HA ASP A 70 1.421 -1.231 -5.191 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.239 -3.191 -6.615 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.856 -3.405 -4.919 1.00 0.00 H new ATOM 991 N LYS A 71 3.243 -0.773 -3.534 1.00 0.00 N ATOM 992 CA LYS A 71 4.247 -0.275 -2.602 1.00 0.00 C ATOM 993 C LYS A 71 4.757 -1.395 -1.701 1.00 0.00 C ATOM 994 O LYS A 71 4.155 -1.698 -0.670 1.00 0.00 O ATOM 995 CB LYS A 71 3.665 0.854 -1.748 1.00 0.00 C ATOM 996 CG LYS A 71 4.717 1.660 -1.005 1.00 0.00 C ATOM 997 CD LYS A 71 5.185 0.942 0.249 1.00 0.00 C ATOM 998 CE LYS A 71 6.061 1.839 1.111 1.00 0.00 C ATOM 999 NZ LYS A 71 7.002 1.051 1.953 1.00 0.00 N ATOM 0 H LYS A 71 2.342 -0.988 -3.107 1.00 0.00 H new ATOM 0 HA LYS A 71 5.085 0.111 -3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.092 1.524 -2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.968 0.429 -1.026 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.568 1.841 -1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.308 2.634 -0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.320 0.613 0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.741 0.047 -0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.626 2.517 0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.430 2.456 1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.788 1.660 2.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.500 0.689 2.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.376 0.253 1.401 1.00 0.00 H new ATOM 1013 N ILE A 72 5.870 -2.005 -2.096 1.00 0.00 N ATOM 1014 CA ILE A 72 6.462 -3.089 -1.322 1.00 0.00 C ATOM 1015 C ILE A 72 6.921 -2.601 0.047 1.00 0.00 C ATOM 1016 O ILE A 72 8.057 -2.154 0.210 1.00 0.00 O ATOM 1017 CB ILE A 72 7.659 -3.718 -2.059 1.00 0.00 C ATOM 1018 CG1 ILE A 72 7.220 -4.264 -3.419 1.00 0.00 C ATOM 1019 CG2 ILE A 72 8.281 -4.820 -1.215 1.00 0.00 C ATOM 1020 CD1 ILE A 72 8.345 -4.354 -4.426 1.00 0.00 C ATOM 0 H ILE A 72 6.379 -1.767 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 72 5.687 -3.845 -1.194 1.00 0.00 H new ATOM 0 HB ILE A 72 8.411 -2.946 -2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.787 -5.255 -3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.434 -3.625 -3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.126 -5.255 -1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.626 -4.403 -0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.538 -5.593 -1.021 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.961 -4.749 -5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.764 -3.362 -4.593 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.122 -5.016 -4.045 1.00 0.00 H new ATOM 1032 N LEU A 73 6.032 -2.690 1.030 1.00 0.00 N ATOM 1033 CA LEU A 73 6.346 -2.259 2.388 1.00 0.00 C ATOM 1034 C LEU A 73 7.568 -2.997 2.925 1.00 0.00 C ATOM 1035 O LEU A 73 8.494 -2.383 3.455 1.00 0.00 O ATOM 1036 CB LEU A 73 5.148 -2.496 3.309 1.00 0.00 C ATOM 1037 CG LEU A 73 3.795 -2.011 2.788 1.00 0.00 C ATOM 1038 CD1 LEU A 73 2.677 -2.914 3.286 1.00 0.00 C ATOM 1039 CD2 LEU A 73 3.546 -0.570 3.208 1.00 0.00 C ATOM 0 H LEU A 73 5.088 -3.057 0.912 1.00 0.00 H new ATOM 0 HA LEU A 73 6.571 -1.193 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.076 -3.565 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.345 -2.005 4.262 1.00 0.00 H new ATOM 0 HG LEU A 73 3.811 -2.053 1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.721 -2.554 2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.847 -3.932 2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.660 -2.905 4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.578 -0.242 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.551 -0.502 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.330 0.068 2.801 1.00 0.00 H new ATOM 1051 N SER A 74 7.565 -4.319 2.781 1.00 0.00 N ATOM 1052 CA SER A 74 8.673 -5.141 3.253 1.00 0.00 C ATOM 1053 C SER A 74 8.877 -6.350 2.345 1.00 0.00 C ATOM 1054 O SER A 74 7.967 -6.761 1.624 1.00 0.00 O ATOM 1055 CB SER A 74 8.416 -5.605 4.688 1.00 0.00 C ATOM 1056 OG SER A 74 8.187 -4.502 5.547 1.00 0.00 O ATOM 0 H SER A 74 6.808 -4.843 2.342 1.00 0.00 H new ATOM 0 HA SER A 74 9.578 -4.534 3.231 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.554 -6.272 4.709 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.271 -6.178 5.047 1.00 0.00 H new ATOM 0 HG SER A 74 8.024 -4.825 6.458 1.00 0.00 H new ATOM 1062 N VAL A 75 10.079 -6.916 2.385 1.00 0.00 N ATOM 1063 CA VAL A 75 10.405 -8.079 1.568 1.00 0.00 C ATOM 1064 C VAL A 75 11.046 -9.178 2.406 1.00 0.00 C ATOM 1065 O VAL A 75 12.057 -8.956 3.071 1.00 0.00 O ATOM 1066 CB VAL A 75 11.356 -7.706 0.415 1.00 0.00 C ATOM 1067 CG1 VAL A 75 12.465 -6.792 0.913 1.00 0.00 C ATOM 1068 CG2 VAL A 75 11.934 -8.959 -0.225 1.00 0.00 C ATOM 0 H VAL A 75 10.844 -6.588 2.975 1.00 0.00 H new ATOM 0 HA VAL A 75 9.467 -8.446 1.151 1.00 0.00 H new ATOM 0 HB VAL A 75 10.787 -7.168 -0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.127 -6.539 0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.029 -5.880 1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.035 -7.301 1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.604 -8.677 -1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.489 -9.526 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.124 -9.573 -0.619 1.00 0.00 H new ATOM 1078 N ASN A 76 10.451 -10.366 2.369 1.00 0.00 N ATOM 1079 CA ASN A 76 10.965 -11.502 3.127 1.00 0.00 C ATOM 1080 C ASN A 76 11.228 -11.114 4.578 1.00 0.00 C ATOM 1081 O ASN A 76 12.135 -11.644 5.219 1.00 0.00 O ATOM 1082 CB ASN A 76 12.251 -12.029 2.486 1.00 0.00 C ATOM 1083 CG ASN A 76 13.366 -11.001 2.498 1.00 0.00 C ATOM 1084 OD1 ASN A 76 13.828 -10.582 3.559 1.00 0.00 O ATOM 1085 ND2 ASN A 76 13.802 -10.589 1.313 1.00 0.00 N ATOM 0 H ASN A 76 9.613 -10.567 1.823 1.00 0.00 H new ATOM 0 HA ASN A 76 10.211 -12.289 3.112 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.579 -12.923 3.017 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.046 -12.327 1.458 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.550 -9.897 1.257 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.389 -10.964 0.459 1.00 0.00 H new ATOM 1092 N GLY A 77 10.428 -10.185 5.091 1.00 0.00 N ATOM 1093 CA GLY A 77 10.590 -9.741 6.464 1.00 0.00 C ATOM 1094 C GLY A 77 11.404 -8.467 6.569 1.00 0.00 C ATOM 1095 O GLY A 77 11.301 -7.737 7.554 1.00 0.00 O ATOM 0 H GLY A 77 9.670 -9.731 4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.608 -9.579 6.908 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.075 -10.527 7.042 1.00 0.00 H new ATOM 1099 N GLN A 78 12.218 -8.201 5.552 1.00 0.00 N ATOM 1100 CA GLN A 78 13.055 -7.007 5.536 1.00 0.00 C ATOM 1101 C GLN A 78 12.213 -5.754 5.324 1.00 0.00 C ATOM 1102 O GLN A 78 11.343 -5.719 4.453 1.00 0.00 O ATOM 1103 CB GLN A 78 14.115 -7.116 4.439 1.00 0.00 C ATOM 1104 CG GLN A 78 15.306 -7.977 4.826 1.00 0.00 C ATOM 1105 CD GLN A 78 16.167 -7.334 5.896 1.00 0.00 C ATOM 1106 OE1 GLN A 78 16.497 -7.961 6.903 1.00 0.00 O ATOM 1107 NE2 GLN A 78 16.537 -6.077 5.682 1.00 0.00 N ATOM 0 H GLN A 78 12.315 -8.796 4.729 1.00 0.00 H new ATOM 0 HA GLN A 78 13.551 -6.929 6.504 1.00 0.00 H new ATOM 0 HB2 GLN A 78 13.655 -7.529 3.541 1.00 0.00 H new ATOM 0 HB3 GLN A 78 14.467 -6.116 4.185 1.00 0.00 H new ATOM 0 HG2 GLN A 78 14.950 -8.943 5.183 1.00 0.00 H new ATOM 0 HG3 GLN A 78 15.914 -8.168 3.942 1.00 0.00 H new ATOM 0 HE21 GLN A 78 16.240 -5.596 4.833 1.00 0.00 H new ATOM 0 HE22 GLN A 78 17.118 -5.593 6.366 1.00 0.00 H new ATOM 1116 N ASP A 79 12.476 -4.728 6.125 1.00 0.00 N ATOM 1117 CA ASP A 79 11.742 -3.471 6.024 1.00 0.00 C ATOM 1118 C ASP A 79 12.428 -2.518 5.051 1.00 0.00 C ATOM 1119 O ASP A 79 13.627 -2.258 5.161 1.00 0.00 O ATOM 1120 CB ASP A 79 11.620 -2.815 7.400 1.00 0.00 C ATOM 1121 CG ASP A 79 12.827 -3.083 8.278 1.00 0.00 C ATOM 1122 OD1 ASP A 79 12.851 -4.138 8.946 1.00 0.00 O ATOM 1123 OD2 ASP A 79 13.746 -2.238 8.298 1.00 0.00 O ATOM 0 H ASP A 79 13.192 -4.741 6.852 1.00 0.00 H new ATOM 0 HA ASP A 79 10.744 -3.691 5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.496 -1.739 7.277 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.723 -3.185 7.897 1.00 0.00 H new ATOM 1128 N LEU A 80 11.661 -2.000 4.098 1.00 0.00 N ATOM 1129 CA LEU A 80 12.195 -1.075 3.104 1.00 0.00 C ATOM 1130 C LEU A 80 11.841 0.366 3.455 1.00 0.00 C ATOM 1131 O LEU A 80 10.705 0.801 3.268 1.00 0.00 O ATOM 1132 CB LEU A 80 11.656 -1.421 1.715 1.00 0.00 C ATOM 1133 CG LEU A 80 11.995 -2.818 1.192 1.00 0.00 C ATOM 1134 CD1 LEU A 80 10.937 -3.290 0.207 1.00 0.00 C ATOM 1135 CD2 LEU A 80 13.371 -2.824 0.543 1.00 0.00 C ATOM 0 H LEU A 80 10.667 -2.205 3.992 1.00 0.00 H new ATOM 0 HA LEU A 80 13.281 -1.172 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.571 -1.314 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 80 12.038 -0.687 1.006 1.00 0.00 H new ATOM 0 HG LEU A 80 12.010 -3.508 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.195 -4.285 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.967 -3.324 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.890 -2.599 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 80 13.596 -3.826 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 80 13.383 -2.121 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 80 14.121 -2.529 1.277 1.00 0.00 H new ATOM 1147 N LYS A 81 12.822 1.104 3.964 1.00 0.00 N ATOM 1148 CA LYS A 81 12.616 2.498 4.338 1.00 0.00 C ATOM 1149 C LYS A 81 13.947 3.187 4.622 1.00 0.00 C ATOM 1150 O LYS A 81 14.800 2.645 5.323 1.00 0.00 O ATOM 1151 CB LYS A 81 11.711 2.589 5.569 1.00 0.00 C ATOM 1152 CG LYS A 81 12.364 2.084 6.844 1.00 0.00 C ATOM 1153 CD LYS A 81 11.489 2.341 8.059 1.00 0.00 C ATOM 1154 CE LYS A 81 10.436 1.256 8.227 1.00 0.00 C ATOM 1155 NZ LYS A 81 10.939 0.119 9.047 1.00 0.00 N ATOM 0 H LYS A 81 13.768 0.759 4.127 1.00 0.00 H new ATOM 0 HA LYS A 81 12.135 3.005 3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.410 3.627 5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.802 2.016 5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.559 1.015 6.755 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.328 2.574 6.979 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.111 2.388 8.953 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.001 3.311 7.959 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.549 1.680 8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.131 0.890 7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.288 -0.687 8.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.883 -0.160 8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.997 0.409 10.044 1.00 0.00 H new ATOM 1169 N ASN A 82 14.117 4.386 4.073 1.00 0.00 N ATOM 1170 CA ASN A 82 15.344 5.149 4.268 1.00 0.00 C ATOM 1171 C ASN A 82 16.527 4.459 3.596 1.00 0.00 C ATOM 1172 O ASN A 82 17.602 4.333 4.183 1.00 0.00 O ATOM 1173 CB ASN A 82 15.625 5.330 5.761 1.00 0.00 C ATOM 1174 CG ASN A 82 14.372 5.655 6.550 1.00 0.00 C ATOM 1175 OD1 ASN A 82 13.329 5.026 6.369 1.00 0.00 O ATOM 1176 ND2 ASN A 82 14.468 6.644 7.432 1.00 0.00 N ATOM 0 H ASN A 82 13.420 4.850 3.490 1.00 0.00 H new ATOM 0 HA ASN A 82 15.210 6.129 3.809 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.074 4.419 6.156 1.00 0.00 H new ATOM 0 HB3 ASN A 82 16.354 6.129 5.896 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.657 6.909 7.992 1.00 0.00 H new ATOM 0 HD22 ASN A 82 15.352 7.139 7.549 1.00 0.00 H new ATOM 1183 N LEU A 83 16.321 4.014 2.361 1.00 0.00 N ATOM 1184 CA LEU A 83 17.371 3.337 1.607 1.00 0.00 C ATOM 1185 C LEU A 83 17.484 3.908 0.198 1.00 0.00 C ATOM 1186 O LEU A 83 16.534 4.491 -0.326 1.00 0.00 O ATOM 1187 CB LEU A 83 17.089 1.834 1.540 1.00 0.00 C ATOM 1188 CG LEU A 83 15.631 1.434 1.311 1.00 0.00 C ATOM 1189 CD1 LEU A 83 15.213 1.740 -0.119 1.00 0.00 C ATOM 1190 CD2 LEU A 83 15.427 -0.041 1.624 1.00 0.00 C ATOM 0 H LEU A 83 15.437 4.110 1.861 1.00 0.00 H new ATOM 0 HA LEU A 83 18.318 3.501 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.692 1.407 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.428 1.379 2.471 1.00 0.00 H new ATOM 0 HG LEU A 83 15.004 2.018 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.173 1.449 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.321 2.808 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 83 15.845 1.183 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 83 14.384 -0.308 1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 83 16.065 -0.642 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.686 -0.231 2.665 1.00 0.00 H new ATOM 1202 N LEU A 84 18.651 3.734 -0.413 1.00 0.00 N ATOM 1203 CA LEU A 84 18.888 4.230 -1.765 1.00 0.00 C ATOM 1204 C LEU A 84 18.318 3.271 -2.805 1.00 0.00 C ATOM 1205 O LEU A 84 17.953 2.139 -2.486 1.00 0.00 O ATOM 1206 CB LEU A 84 20.386 4.426 -2.001 1.00 0.00 C ATOM 1207 CG LEU A 84 21.165 5.086 -0.862 1.00 0.00 C ATOM 1208 CD1 LEU A 84 22.609 4.608 -0.856 1.00 0.00 C ATOM 1209 CD2 LEU A 84 21.104 6.601 -0.982 1.00 0.00 C ATOM 0 H LEU A 84 19.447 3.254 0.006 1.00 0.00 H new ATOM 0 HA LEU A 84 18.382 5.190 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 84 20.832 3.452 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.516 5.028 -2.900 1.00 0.00 H new ATOM 0 HG LEU A 84 20.704 4.797 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 84 23.148 5.088 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.634 3.527 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 84 23.082 4.866 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 84 21.664 7.054 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.539 6.908 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 84 20.065 6.928 -0.936 1.00 0.00 H new ATOM 1221 N HIS A 85 18.248 3.730 -4.050 1.00 0.00 N ATOM 1222 CA HIS A 85 17.726 2.912 -5.139 1.00 0.00 C ATOM 1223 C HIS A 85 18.513 1.611 -5.266 1.00 0.00 C ATOM 1224 O HIS A 85 17.934 0.541 -5.450 1.00 0.00 O ATOM 1225 CB HIS A 85 17.778 3.684 -6.457 1.00 0.00 C ATOM 1226 CG HIS A 85 17.196 2.934 -7.615 1.00 0.00 C ATOM 1227 ND1 HIS A 85 15.862 2.592 -7.695 1.00 0.00 N ATOM 1228 CD2 HIS A 85 17.773 2.461 -8.744 1.00 0.00 C ATOM 1229 CE1 HIS A 85 15.645 1.940 -8.823 1.00 0.00 C ATOM 1230 NE2 HIS A 85 16.788 1.847 -9.478 1.00 0.00 N ATOM 0 H HIS A 85 18.546 4.664 -4.330 1.00 0.00 H new ATOM 0 HA HIS A 85 16.688 2.668 -4.911 1.00 0.00 H new ATOM 0 HB2 HIS A 85 17.242 4.625 -6.338 1.00 0.00 H new ATOM 0 HB3 HIS A 85 18.815 3.934 -6.681 1.00 0.00 H new ATOM 0 HD1 HIS A 85 15.154 2.809 -6.993 1.00 0.00 H new ATOM 0 HD2 HIS A 85 18.814 2.550 -9.017 1.00 0.00 H new ATOM 0 HE1 HIS A 85 14.694 1.549 -9.154 1.00 0.00 H new ATOM 1238 N GLN A 86 19.834 1.712 -5.167 1.00 0.00 N ATOM 1239 CA GLN A 86 20.700 0.544 -5.273 1.00 0.00 C ATOM 1240 C GLN A 86 20.495 -0.394 -4.088 1.00 0.00 C ATOM 1241 O GLN A 86 20.586 -1.614 -4.227 1.00 0.00 O ATOM 1242 CB GLN A 86 22.166 0.974 -5.352 1.00 0.00 C ATOM 1243 CG GLN A 86 23.142 -0.191 -5.358 1.00 0.00 C ATOM 1244 CD GLN A 86 23.376 -0.749 -6.748 1.00 0.00 C ATOM 1245 OE1 GLN A 86 24.155 -0.198 -7.527 1.00 0.00 O ATOM 1246 NE2 GLN A 86 22.703 -1.848 -7.067 1.00 0.00 N ATOM 0 H GLN A 86 20.328 2.591 -5.013 1.00 0.00 H new ATOM 0 HA GLN A 86 20.437 0.010 -6.186 1.00 0.00 H new ATOM 0 HB2 GLN A 86 22.314 1.566 -6.255 1.00 0.00 H new ATOM 0 HB3 GLN A 86 22.392 1.622 -4.505 1.00 0.00 H new ATOM 0 HG2 GLN A 86 24.093 0.135 -4.936 1.00 0.00 H new ATOM 0 HG3 GLN A 86 22.761 -0.982 -4.712 1.00 0.00 H new ATOM 0 HE21 GLN A 86 22.068 -2.271 -6.391 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.821 -2.269 -7.989 1.00 0.00 H new ATOM 1255 N ASP A 87 20.220 0.183 -2.924 1.00 0.00 N ATOM 1256 CA ASP A 87 20.002 -0.601 -1.714 1.00 0.00 C ATOM 1257 C ASP A 87 18.767 -1.485 -1.855 1.00 0.00 C ATOM 1258 O ASP A 87 18.761 -2.635 -1.416 1.00 0.00 O ATOM 1259 CB ASP A 87 19.849 0.321 -0.503 1.00 0.00 C ATOM 1260 CG ASP A 87 21.181 0.665 0.134 1.00 0.00 C ATOM 1261 OD1 ASP A 87 22.140 0.954 -0.613 1.00 0.00 O ATOM 1262 OD2 ASP A 87 21.265 0.645 1.380 1.00 0.00 O ATOM 0 H ASP A 87 20.143 1.192 -2.792 1.00 0.00 H new ATOM 0 HA ASP A 87 20.871 -1.242 -1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 87 19.348 1.239 -0.810 1.00 0.00 H new ATOM 0 HB3 ASP A 87 19.209 -0.159 0.237 1.00 0.00 H new ATOM 1267 N ALA A 88 17.722 -0.940 -2.469 1.00 0.00 N ATOM 1268 CA ALA A 88 16.482 -1.679 -2.668 1.00 0.00 C ATOM 1269 C ALA A 88 16.687 -2.849 -3.624 1.00 0.00 C ATOM 1270 O ALA A 88 16.312 -3.982 -3.324 1.00 0.00 O ATOM 1271 CB ALA A 88 15.393 -0.753 -3.190 1.00 0.00 C ATOM 0 H ALA A 88 17.710 0.011 -2.837 1.00 0.00 H new ATOM 0 HA ALA A 88 16.170 -2.082 -1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.473 -1.319 -3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 88 15.219 0.046 -2.470 1.00 0.00 H new ATOM 0 HB3 ALA A 88 15.707 -0.322 -4.141 1.00 0.00 H new ATOM 1277 N VAL A 89 17.285 -2.567 -4.777 1.00 0.00 N ATOM 1278 CA VAL A 89 17.541 -3.596 -5.778 1.00 0.00 C ATOM 1279 C VAL A 89 18.318 -4.763 -5.179 1.00 0.00 C ATOM 1280 O VAL A 89 17.969 -5.925 -5.385 1.00 0.00 O ATOM 1281 CB VAL A 89 18.327 -3.031 -6.976 1.00 0.00 C ATOM 1282 CG1 VAL A 89 18.729 -4.149 -7.926 1.00 0.00 C ATOM 1283 CG2 VAL A 89 17.506 -1.974 -7.700 1.00 0.00 C ATOM 0 H VAL A 89 17.601 -1.634 -5.041 1.00 0.00 H new ATOM 0 HA VAL A 89 16.570 -3.949 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 89 19.236 -2.560 -6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 89 19.283 -3.731 -8.766 1.00 0.00 H new ATOM 0 HG12 VAL A 89 19.357 -4.867 -7.398 1.00 0.00 H new ATOM 0 HG13 VAL A 89 17.835 -4.652 -8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 89 18.076 -1.585 -8.544 1.00 0.00 H new ATOM 0 HG22 VAL A 89 16.579 -2.418 -8.062 1.00 0.00 H new ATOM 0 HG23 VAL A 89 17.274 -1.160 -7.013 1.00 0.00 H new ATOM 1293 N ASP A 90 19.374 -4.445 -4.438 1.00 0.00 N ATOM 1294 CA ASP A 90 20.201 -5.467 -3.808 1.00 0.00 C ATOM 1295 C ASP A 90 19.344 -6.442 -3.007 1.00 0.00 C ATOM 1296 O ASP A 90 19.367 -7.650 -3.249 1.00 0.00 O ATOM 1297 CB ASP A 90 21.244 -4.819 -2.896 1.00 0.00 C ATOM 1298 CG ASP A 90 22.527 -5.623 -2.821 1.00 0.00 C ATOM 1299 OD1 ASP A 90 22.530 -6.672 -2.144 1.00 0.00 O ATOM 1300 OD2 ASP A 90 23.529 -5.203 -3.439 1.00 0.00 O ATOM 0 H ASP A 90 19.677 -3.488 -4.259 1.00 0.00 H new ATOM 0 HA ASP A 90 20.712 -6.022 -4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 90 21.468 -3.816 -3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 90 20.828 -4.709 -1.894 1.00 0.00 H new ATOM 1305 N LEU A 91 18.588 -5.911 -2.052 1.00 0.00 N ATOM 1306 CA LEU A 91 17.723 -6.734 -1.214 1.00 0.00 C ATOM 1307 C LEU A 91 16.952 -7.746 -2.056 1.00 0.00 C ATOM 1308 O LEU A 91 16.843 -8.917 -1.693 1.00 0.00 O ATOM 1309 CB LEU A 91 16.747 -5.853 -0.434 1.00 0.00 C ATOM 1310 CG LEU A 91 15.811 -6.580 0.533 1.00 0.00 C ATOM 1311 CD1 LEU A 91 16.560 -7.670 1.283 1.00 0.00 C ATOM 1312 CD2 LEU A 91 15.181 -5.595 1.507 1.00 0.00 C ATOM 0 H LEU A 91 18.557 -4.914 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 91 18.352 -7.279 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 91 17.323 -5.120 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 91 16.139 -5.298 -1.149 1.00 0.00 H new ATOM 0 HG LEU A 91 15.014 -7.048 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 91 15.878 -8.176 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 91 16.962 -8.391 0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 91 17.378 -7.225 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.518 -6.130 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.964 -5.098 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.609 -4.851 0.953 1.00 0.00 H new ATOM 1324 N PHE A 92 16.420 -7.286 -3.183 1.00 0.00 N ATOM 1325 CA PHE A 92 15.659 -8.150 -4.078 1.00 0.00 C ATOM 1326 C PHE A 92 16.557 -9.220 -4.694 1.00 0.00 C ATOM 1327 O PHE A 92 16.095 -10.305 -5.046 1.00 0.00 O ATOM 1328 CB PHE A 92 15.001 -7.323 -5.184 1.00 0.00 C ATOM 1329 CG PHE A 92 13.804 -6.544 -4.718 1.00 0.00 C ATOM 1330 CD1 PHE A 92 13.876 -5.749 -3.586 1.00 0.00 C ATOM 1331 CD2 PHE A 92 12.606 -6.608 -5.412 1.00 0.00 C ATOM 1332 CE1 PHE A 92 12.777 -5.031 -3.155 1.00 0.00 C ATOM 1333 CE2 PHE A 92 11.504 -5.892 -4.986 1.00 0.00 C ATOM 1334 CZ PHE A 92 11.589 -5.103 -3.856 1.00 0.00 C ATOM 0 H PHE A 92 16.502 -6.319 -3.499 1.00 0.00 H new ATOM 0 HA PHE A 92 14.883 -8.643 -3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 92 15.736 -6.632 -5.596 1.00 0.00 H new ATOM 0 HB3 PHE A 92 14.699 -7.988 -5.993 1.00 0.00 H new ATOM 0 HD1 PHE A 92 14.802 -5.690 -3.034 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.533 -7.225 -6.296 1.00 0.00 H new ATOM 0 HE1 PHE A 92 12.847 -4.414 -2.271 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.577 -5.949 -5.536 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.728 -4.543 -3.521 1.00 0.00 H new ATOM 1344 N ARG A 93 17.842 -8.905 -4.820 1.00 0.00 N ATOM 1345 CA ARG A 93 18.804 -9.837 -5.394 1.00 0.00 C ATOM 1346 C ARG A 93 19.347 -10.784 -4.328 1.00 0.00 C ATOM 1347 O ARG A 93 19.707 -11.923 -4.620 1.00 0.00 O ATOM 1348 CB ARG A 93 19.957 -9.074 -6.049 1.00 0.00 C ATOM 1349 CG ARG A 93 19.545 -8.293 -7.286 1.00 0.00 C ATOM 1350 CD ARG A 93 20.685 -7.431 -7.806 1.00 0.00 C ATOM 1351 NE ARG A 93 21.737 -8.232 -8.427 1.00 0.00 N ATOM 1352 CZ ARG A 93 21.690 -8.659 -9.684 1.00 0.00 C ATOM 1353 NH1 ARG A 93 20.648 -8.363 -10.450 1.00 0.00 N ATOM 1354 NH2 ARG A 93 22.686 -9.383 -10.178 1.00 0.00 N ATOM 0 H ARG A 93 18.241 -8.011 -4.532 1.00 0.00 H new ATOM 0 HA ARG A 93 18.291 -10.428 -6.153 1.00 0.00 H new ATOM 0 HB2 ARG A 93 20.386 -8.385 -5.321 1.00 0.00 H new ATOM 0 HB3 ARG A 93 20.741 -9.780 -6.320 1.00 0.00 H new ATOM 0 HG2 ARG A 93 19.226 -8.985 -8.065 1.00 0.00 H new ATOM 0 HG3 ARG A 93 18.688 -7.662 -7.050 1.00 0.00 H new ATOM 0 HD2 ARG A 93 20.297 -6.716 -8.532 1.00 0.00 H new ATOM 0 HD3 ARG A 93 21.107 -6.853 -6.984 1.00 0.00 H new ATOM 0 HE ARG A 93 22.552 -8.477 -7.865 1.00 0.00 H new ATOM 0 HH11 ARG A 93 19.880 -7.806 -10.074 1.00 0.00 H new ATOM 0 HH12 ARG A 93 20.614 -8.692 -11.415 1.00 0.00 H new ATOM 0 HH21 ARG A 93 23.489 -9.612 -9.592 1.00 0.00 H new ATOM 0 HH22 ARG A 93 22.649 -9.710 -11.143 1.00 0.00 H new ATOM 1368 N ASN A 94 19.404 -10.302 -3.090 1.00 0.00 N ATOM 1369 CA ASN A 94 19.904 -11.105 -1.980 1.00 0.00 C ATOM 1370 C ASN A 94 18.847 -12.096 -1.505 1.00 0.00 C ATOM 1371 O ASN A 94 19.157 -13.242 -1.181 1.00 0.00 O ATOM 1372 CB ASN A 94 20.329 -10.201 -0.821 1.00 0.00 C ATOM 1373 CG ASN A 94 20.980 -10.976 0.308 1.00 0.00 C ATOM 1374 OD1 ASN A 94 22.127 -11.410 0.197 1.00 0.00 O ATOM 1375 ND2 ASN A 94 20.250 -11.153 1.403 1.00 0.00 N ATOM 0 H ASN A 94 19.110 -9.360 -2.831 1.00 0.00 H new ATOM 0 HA ASN A 94 20.770 -11.666 -2.332 1.00 0.00 H new ATOM 0 HB2 ASN A 94 21.025 -9.447 -1.188 1.00 0.00 H new ATOM 0 HB3 ASN A 94 19.457 -9.671 -0.438 1.00 0.00 H new ATOM 0 HD21 ASN A 94 20.636 -11.666 2.196 1.00 0.00 H new ATOM 0 HD22 ASN A 94 19.304 -10.776 1.451 1.00 0.00 H new ATOM 1382 N ALA A 95 17.596 -11.647 -1.468 1.00 0.00 N ATOM 1383 CA ALA A 95 16.492 -12.495 -1.036 1.00 0.00 C ATOM 1384 C ALA A 95 16.707 -13.940 -1.472 1.00 0.00 C ATOM 1385 O ALA A 95 16.810 -14.841 -0.641 1.00 0.00 O ATOM 1386 CB ALA A 95 15.175 -11.966 -1.584 1.00 0.00 C ATOM 0 H ALA A 95 17.322 -10.701 -1.732 1.00 0.00 H new ATOM 0 HA ALA A 95 16.454 -12.474 0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 95 14.359 -12.609 -1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 95 15.010 -10.953 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 95 15.212 -11.957 -2.673 1.00 0.00 H new ATOM 1392 N GLY A 96 16.774 -14.155 -2.783 1.00 0.00 N ATOM 1393 CA GLY A 96 16.975 -15.493 -3.306 1.00 0.00 C ATOM 1394 C GLY A 96 15.684 -16.129 -3.783 1.00 0.00 C ATOM 1395 O GLY A 96 14.661 -15.456 -3.909 1.00 0.00 O ATOM 0 H GLY A 96 16.693 -13.426 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.684 -15.454 -4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.421 -16.119 -2.533 1.00 0.00 H new ATOM 1399 N TYR A 97 15.731 -17.430 -4.051 1.00 0.00 N ATOM 1400 CA TYR A 97 14.558 -18.156 -4.521 1.00 0.00 C ATOM 1401 C TYR A 97 13.293 -17.653 -3.832 1.00 0.00 C ATOM 1402 O TYR A 97 12.383 -17.137 -4.480 1.00 0.00 O ATOM 1403 CB TYR A 97 14.726 -19.656 -4.271 1.00 0.00 C ATOM 1404 CG TYR A 97 13.533 -20.479 -4.701 1.00 0.00 C ATOM 1405 CD1 TYR A 97 12.430 -20.625 -3.869 1.00 0.00 C ATOM 1406 CD2 TYR A 97 13.509 -21.110 -5.939 1.00 0.00 C ATOM 1407 CE1 TYR A 97 11.338 -21.377 -4.258 1.00 0.00 C ATOM 1408 CE2 TYR A 97 12.421 -21.862 -6.336 1.00 0.00 C ATOM 1409 CZ TYR A 97 11.338 -21.994 -5.491 1.00 0.00 C ATOM 1410 OH TYR A 97 10.251 -22.742 -5.882 1.00 0.00 O ATOM 0 H TYR A 97 16.569 -18.003 -3.951 1.00 0.00 H new ATOM 0 HA TYR A 97 14.460 -17.982 -5.592 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.610 -20.008 -4.803 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.907 -19.821 -3.209 1.00 0.00 H new ATOM 0 HD1 TYR A 97 12.426 -20.143 -2.903 1.00 0.00 H new ATOM 0 HD2 TYR A 97 14.356 -21.011 -6.602 1.00 0.00 H new ATOM 0 HE1 TYR A 97 10.488 -21.481 -3.599 1.00 0.00 H new ATOM 0 HE2 TYR A 97 12.418 -22.344 -7.302 1.00 0.00 H new ATOM 0 HH TYR A 97 10.410 -23.108 -6.777 1.00 0.00 H new ATOM 1420 N ALA A 98 13.245 -17.806 -2.513 1.00 0.00 N ATOM 1421 CA ALA A 98 12.095 -17.366 -1.734 1.00 0.00 C ATOM 1422 C ALA A 98 12.079 -15.848 -1.589 1.00 0.00 C ATOM 1423 O ALA A 98 12.954 -15.266 -0.947 1.00 0.00 O ATOM 1424 CB ALA A 98 12.100 -18.029 -0.364 1.00 0.00 C ATOM 0 H ALA A 98 13.990 -18.232 -1.961 1.00 0.00 H new ATOM 0 HA ALA A 98 11.192 -17.664 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.235 -17.691 0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.055 -19.112 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.013 -17.760 0.167 1.00 0.00 H new ATOM 1430 N VAL A 99 11.079 -15.211 -2.190 1.00 0.00 N ATOM 1431 CA VAL A 99 10.949 -13.760 -2.127 1.00 0.00 C ATOM 1432 C VAL A 99 9.512 -13.350 -1.825 1.00 0.00 C ATOM 1433 O VAL A 99 8.635 -13.445 -2.683 1.00 0.00 O ATOM 1434 CB VAL A 99 11.393 -13.099 -3.445 1.00 0.00 C ATOM 1435 CG1 VAL A 99 11.334 -11.584 -3.330 1.00 0.00 C ATOM 1436 CG2 VAL A 99 12.793 -13.559 -3.825 1.00 0.00 C ATOM 0 H VAL A 99 10.347 -15.677 -2.726 1.00 0.00 H new ATOM 0 HA VAL A 99 11.599 -13.419 -1.321 1.00 0.00 H new ATOM 0 HB VAL A 99 10.707 -13.406 -4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.651 -11.135 -4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 99 10.313 -11.276 -3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 99 11.996 -11.254 -2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 99 13.092 -13.083 -4.759 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.493 -13.283 -3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.798 -14.642 -3.952 1.00 0.00 H new ATOM 1446 N SER A 100 9.279 -12.892 -0.599 1.00 0.00 N ATOM 1447 CA SER A 100 7.947 -12.470 -0.181 1.00 0.00 C ATOM 1448 C SER A 100 7.816 -10.951 -0.236 1.00 0.00 C ATOM 1449 O SER A 100 8.318 -10.241 0.636 1.00 0.00 O ATOM 1450 CB SER A 100 7.651 -12.967 1.235 1.00 0.00 C ATOM 1451 OG SER A 100 7.379 -14.358 1.241 1.00 0.00 O ATOM 0 H SER A 100 9.995 -12.804 0.122 1.00 0.00 H new ATOM 0 HA SER A 100 7.223 -12.906 -0.870 1.00 0.00 H new ATOM 0 HB2 SER A 100 8.502 -12.757 1.883 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.798 -12.425 1.643 1.00 0.00 H new ATOM 0 HG SER A 100 6.461 -14.513 0.934 1.00 0.00 H new ATOM 1457 N LEU A 101 7.139 -10.459 -1.268 1.00 0.00 N ATOM 1458 CA LEU A 101 6.942 -9.023 -1.439 1.00 0.00 C ATOM 1459 C LEU A 101 5.637 -8.572 -0.790 1.00 0.00 C ATOM 1460 O LEU A 101 4.551 -8.955 -1.225 1.00 0.00 O ATOM 1461 CB LEU A 101 6.937 -8.663 -2.925 1.00 0.00 C ATOM 1462 CG LEU A 101 8.062 -9.266 -3.766 1.00 0.00 C ATOM 1463 CD1 LEU A 101 7.721 -9.191 -5.246 1.00 0.00 C ATOM 1464 CD2 LEU A 101 9.379 -8.557 -3.483 1.00 0.00 C ATOM 0 H LEU A 101 6.717 -11.033 -1.999 1.00 0.00 H new ATOM 0 HA LEU A 101 7.767 -8.506 -0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.984 -8.977 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.985 -7.578 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 101 8.172 -10.315 -3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.533 -9.625 -5.829 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.802 -9.745 -5.436 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.583 -8.149 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.168 -9.000 -4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.283 -7.499 -3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.630 -8.664 -2.428 1.00 0.00 H new ATOM 1476 N ARG A 102 5.752 -7.755 0.252 1.00 0.00 N ATOM 1477 CA ARG A 102 4.582 -7.250 0.960 1.00 0.00 C ATOM 1478 C ARG A 102 4.203 -5.859 0.461 1.00 0.00 C ATOM 1479 O ARG A 102 4.862 -4.871 0.783 1.00 0.00 O ATOM 1480 CB ARG A 102 4.850 -7.208 2.466 1.00 0.00 C ATOM 1481 CG ARG A 102 3.585 -7.206 3.309 1.00 0.00 C ATOM 1482 CD ARG A 102 3.867 -6.757 4.734 1.00 0.00 C ATOM 1483 NE ARG A 102 4.637 -7.749 5.479 1.00 0.00 N ATOM 1484 CZ ARG A 102 5.084 -7.556 6.715 1.00 0.00 C ATOM 1485 NH1 ARG A 102 4.840 -6.414 7.341 1.00 0.00 N ATOM 1486 NH2 ARG A 102 5.778 -8.508 7.326 1.00 0.00 N ATOM 0 H ARG A 102 6.644 -7.429 0.625 1.00 0.00 H new ATOM 0 HA ARG A 102 3.750 -7.926 0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.459 -8.068 2.742 1.00 0.00 H new ATOM 0 HB3 ARG A 102 5.433 -6.317 2.698 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.846 -6.544 2.857 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.152 -8.206 3.320 1.00 0.00 H new ATOM 0 HD2 ARG A 102 4.413 -5.814 4.715 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.924 -6.569 5.248 1.00 0.00 H new ATOM 0 HE ARG A 102 4.843 -8.639 5.025 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.308 -5.680 6.874 1.00 0.00 H new ATOM 0 HH12 ARG A 102 5.185 -6.269 8.290 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.968 -9.388 6.847 1.00 0.00 H new ATOM 0 HH22 ARG A 102 6.121 -8.360 8.275 1.00 0.00 H new ATOM 1500 N VAL A 103 3.135 -5.790 -0.328 1.00 0.00 N ATOM 1501 CA VAL A 103 2.667 -4.520 -0.871 1.00 0.00 C ATOM 1502 C VAL A 103 1.404 -4.050 -0.159 1.00 0.00 C ATOM 1503 O VAL A 103 0.774 -4.811 0.575 1.00 0.00 O ATOM 1504 CB VAL A 103 2.382 -4.627 -2.381 1.00 0.00 C ATOM 1505 CG1 VAL A 103 3.670 -4.873 -3.152 1.00 0.00 C ATOM 1506 CG2 VAL A 103 1.369 -5.728 -2.655 1.00 0.00 C ATOM 0 H VAL A 103 2.578 -6.598 -0.605 1.00 0.00 H new ATOM 0 HA VAL A 103 3.463 -3.794 -0.709 1.00 0.00 H new ATOM 0 HB VAL A 103 1.958 -3.682 -2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.448 -4.946 -4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.360 -4.047 -2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.126 -5.803 -2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.179 -5.790 -3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.762 -6.681 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.438 -5.504 -2.134 1.00 0.00 H new ATOM 1516 N GLN A 104 1.040 -2.791 -0.381 1.00 0.00 N ATOM 1517 CA GLN A 104 -0.149 -2.219 0.241 1.00 0.00 C ATOM 1518 C GLN A 104 -1.111 -1.684 -0.815 1.00 0.00 C ATOM 1519 O GLN A 104 -0.825 -0.690 -1.483 1.00 0.00 O ATOM 1520 CB GLN A 104 0.244 -1.099 1.206 1.00 0.00 C ATOM 1521 CG GLN A 104 -0.810 -0.810 2.263 1.00 0.00 C ATOM 1522 CD GLN A 104 -0.233 -0.135 3.492 1.00 0.00 C ATOM 1523 OE1 GLN A 104 -0.155 -0.735 4.564 1.00 0.00 O ATOM 1524 NE2 GLN A 104 0.174 1.120 3.342 1.00 0.00 N ATOM 0 H GLN A 104 1.551 -2.148 -0.986 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.653 -3.008 0.798 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.178 -1.367 1.700 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.434 -0.190 0.636 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.585 -0.175 1.834 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -1.290 -1.743 2.557 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.090 1.578 2.435 1.00 0.00 H new ATOM 0 HE22 GLN A 104 0.570 1.626 4.134 1.00 0.00 H new ATOM 1533 N HIS A 105 -2.253 -2.349 -0.959 1.00 0.00 N ATOM 1534 CA HIS A 105 -3.258 -1.939 -1.934 1.00 0.00 C ATOM 1535 C HIS A 105 -4.129 -0.818 -1.377 1.00 0.00 C ATOM 1536 O HIS A 105 -5.043 -1.061 -0.588 1.00 0.00 O ATOM 1537 CB HIS A 105 -4.131 -3.131 -2.329 1.00 0.00 C ATOM 1538 CG HIS A 105 -3.346 -4.332 -2.759 1.00 0.00 C ATOM 1539 ND1 HIS A 105 -2.605 -4.370 -3.921 1.00 0.00 N ATOM 1540 CD2 HIS A 105 -3.189 -5.542 -2.174 1.00 0.00 C ATOM 1541 CE1 HIS A 105 -2.027 -5.552 -4.034 1.00 0.00 C ATOM 1542 NE2 HIS A 105 -2.364 -6.282 -2.986 1.00 0.00 N ATOM 0 H HIS A 105 -2.506 -3.173 -0.414 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.741 -1.568 -2.819 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.763 -3.404 -1.484 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.795 -2.832 -3.140 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -2.517 -3.604 -4.589 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -3.630 -5.866 -1.243 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -1.388 -5.868 -4.845 1.00 0.00 H new ATOM 1550 N ARG A 106 -3.840 0.411 -1.791 1.00 0.00 N ATOM 1551 CA ARG A 106 -4.595 1.571 -1.332 1.00 0.00 C ATOM 1552 C ARG A 106 -5.224 2.311 -2.509 1.00 0.00 C ATOM 1553 O ARG A 106 -4.594 3.176 -3.120 1.00 0.00 O ATOM 1554 CB ARG A 106 -3.688 2.518 -0.545 1.00 0.00 C ATOM 1555 CG ARG A 106 -2.309 2.692 -1.160 1.00 0.00 C ATOM 1556 CD ARG A 106 -1.604 3.921 -0.608 1.00 0.00 C ATOM 1557 NE ARG A 106 -2.043 5.147 -1.269 1.00 0.00 N ATOM 1558 CZ ARG A 106 -1.512 6.341 -1.030 1.00 0.00 C ATOM 1559 NH1 ARG A 106 -0.527 6.469 -0.151 1.00 0.00 N ATOM 1560 NH2 ARG A 106 -1.965 7.411 -1.672 1.00 0.00 N ATOM 0 H ARG A 106 -3.088 0.630 -2.444 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.393 1.218 -0.679 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.170 3.493 -0.473 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.578 2.141 0.472 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.706 1.806 -0.961 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.401 2.779 -2.243 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.795 3.998 0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.527 3.808 -0.733 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.798 5.083 -1.951 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.175 5.649 0.344 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.121 7.387 0.030 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.722 7.317 -2.350 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.557 8.327 -1.488 1.00 0.00 H new