USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 396 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 ASN : amide:sc= -1.76 K(o=-1.8,f=0.14) USER MOD Single : A 21 ASN : amide:sc= -0.0506 X(o=-0.051,f=-0.3) USER MOD Single : A 24 GLN : amide:sc= -6.21! C(o=-6.2!,f=-8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -2.05! C(o=-2!,f=-16!) USER MOD Single : A 35 SER OG : rot -94:sc= 0.308 USER MOD Single : A 36 LYS NZ :NH3+ -132:sc= -0.0216 (180deg=-0.385) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 96:sc= -5.06! USER MOD Single : A 55 GLN : amide:sc= -5.49! C(o=-5.5!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 201 N ASP A 13 -2.727 -3.705 -6.139 1.00 0.00 N ATOM 202 CA ASP A 13 -2.857 -2.231 -6.315 1.00 0.00 C ATOM 203 C ASP A 13 -1.476 -1.597 -6.454 1.00 0.00 C ATOM 204 O ASP A 13 -0.526 -2.008 -5.817 1.00 0.00 O ATOM 205 CB ASP A 13 -3.549 -1.740 -5.043 1.00 0.00 C ATOM 206 CG ASP A 13 -5.023 -2.155 -5.073 1.00 0.00 C ATOM 207 OD1 ASP A 13 -5.535 -2.370 -6.159 1.00 0.00 O ATOM 208 OD2 ASP A 13 -5.612 -2.252 -4.009 1.00 0.00 O ATOM 0 HA ASP A 13 -3.420 -1.968 -7.211 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.059 -2.160 -4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.467 -0.656 -4.966 1.00 0.00 H new ATOM 213 N ARG A 14 -1.353 -0.608 -7.289 1.00 0.00 N ATOM 214 CA ARG A 14 -0.030 0.042 -7.478 1.00 0.00 C ATOM 215 C ARG A 14 0.514 0.541 -6.138 1.00 0.00 C ATOM 216 O ARG A 14 1.706 0.682 -5.954 1.00 0.00 O ATOM 217 CB ARG A 14 -0.296 1.217 -8.421 1.00 0.00 C ATOM 218 CG ARG A 14 -1.051 0.722 -9.661 1.00 0.00 C ATOM 219 CD ARG A 14 -0.476 -0.624 -10.111 1.00 0.00 C ATOM 220 NE ARG A 14 -1.281 -1.006 -11.304 1.00 0.00 N ATOM 221 CZ ARG A 14 -1.191 -0.308 -12.403 1.00 0.00 C ATOM 222 NH1 ARG A 14 -0.224 0.558 -12.550 1.00 0.00 N ATOM 223 NH2 ARG A 14 -2.066 -0.475 -13.356 1.00 0.00 N ATOM 0 H ARG A 14 -2.112 -0.221 -7.850 1.00 0.00 H new ATOM 0 HA ARG A 14 0.712 -0.646 -7.883 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.880 1.982 -7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.646 1.679 -8.717 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.112 0.618 -9.435 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.966 1.452 -10.466 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.582 -0.538 -10.359 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.559 -1.372 -9.323 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.903 -1.813 -11.262 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.461 0.689 -11.806 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.154 1.103 -13.409 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.821 -1.151 -13.242 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.995 0.071 -14.215 1.00 0.00 H new ATOM 237 N ILE A 15 -0.351 0.803 -5.197 1.00 0.00 N ATOM 238 CA ILE A 15 0.118 1.288 -3.868 1.00 0.00 C ATOM 239 C ILE A 15 0.727 0.135 -3.068 1.00 0.00 C ATOM 240 O ILE A 15 1.677 0.311 -2.331 1.00 0.00 O ATOM 241 CB ILE A 15 -1.136 1.816 -3.173 1.00 0.00 C ATOM 242 CG1 ILE A 15 -1.928 2.696 -4.143 1.00 0.00 C ATOM 243 CG2 ILE A 15 -0.727 2.645 -1.957 1.00 0.00 C ATOM 244 CD1 ILE A 15 -0.979 3.673 -4.840 1.00 0.00 C ATOM 0 H ILE A 15 -1.362 0.702 -5.291 1.00 0.00 H new ATOM 0 HA ILE A 15 0.888 2.054 -3.958 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.756 0.978 -2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.435 2.075 -4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.700 3.245 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.619 3.024 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.161 2.021 -1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.108 3.483 -2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.544 4.299 -5.530 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.493 4.302 -4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.223 3.115 -5.392 1.00 0.00 H new ATOM 256 N ASP A 16 0.188 -1.043 -3.207 1.00 0.00 N ATOM 257 CA ASP A 16 0.733 -2.207 -2.450 1.00 0.00 C ATOM 258 C ASP A 16 2.055 -2.678 -3.065 1.00 0.00 C ATOM 259 O ASP A 16 3.069 -2.746 -2.399 1.00 0.00 O ATOM 260 CB ASP A 16 -0.334 -3.292 -2.581 1.00 0.00 C ATOM 261 CG ASP A 16 -1.575 -2.884 -1.786 1.00 0.00 C ATOM 262 OD1 ASP A 16 -1.760 -1.696 -1.582 1.00 0.00 O ATOM 263 OD2 ASP A 16 -2.319 -3.766 -1.395 1.00 0.00 O ATOM 0 H ASP A 16 -0.606 -1.252 -3.812 1.00 0.00 H new ATOM 0 HA ASP A 16 0.943 -1.959 -1.410 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.593 -3.438 -3.630 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.051 -4.243 -2.212 1.00 0.00 H new ATOM 268 N ARG A 17 2.052 -3.010 -4.328 1.00 0.00 N ATOM 269 CA ARG A 17 3.310 -3.481 -4.974 1.00 0.00 C ATOM 270 C ARG A 17 4.415 -2.448 -4.795 1.00 0.00 C ATOM 271 O ARG A 17 5.529 -2.771 -4.436 1.00 0.00 O ATOM 272 CB ARG A 17 2.963 -3.652 -6.453 1.00 0.00 C ATOM 273 CG ARG A 17 2.611 -2.295 -7.061 1.00 0.00 C ATOM 274 CD ARG A 17 2.047 -2.498 -8.467 1.00 0.00 C ATOM 275 NE ARG A 17 2.652 -1.409 -9.284 1.00 0.00 N ATOM 276 CZ ARG A 17 3.447 -1.702 -10.277 1.00 0.00 C ATOM 277 NH1 ARG A 17 4.707 -1.955 -10.051 1.00 0.00 N ATOM 278 NH2 ARG A 17 2.982 -1.740 -11.495 1.00 0.00 N ATOM 0 H ARG A 17 1.235 -2.976 -4.938 1.00 0.00 H new ATOM 0 HA ARG A 17 3.674 -4.410 -4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.806 -4.092 -6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.124 -4.339 -6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.881 -1.782 -6.435 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.497 -1.661 -7.101 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.310 -3.480 -8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.959 -2.435 -8.469 1.00 0.00 H new ATOM 0 HE ARG A 17 2.445 -0.434 -9.067 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.071 -1.924 -9.099 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.328 -2.184 -10.827 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.997 -1.541 -11.671 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.603 -1.969 -12.271 1.00 0.00 H new ATOM 292 N ASN A 18 4.111 -1.208 -5.011 1.00 0.00 N ATOM 293 CA ASN A 18 5.141 -0.154 -4.821 1.00 0.00 C ATOM 294 C ASN A 18 5.533 -0.100 -3.351 1.00 0.00 C ATOM 295 O ASN A 18 6.674 0.133 -3.007 1.00 0.00 O ATOM 296 CB ASN A 18 4.468 1.150 -5.251 1.00 0.00 C ATOM 297 CG ASN A 18 4.498 1.260 -6.776 1.00 0.00 C ATOM 298 OD1 ASN A 18 3.473 1.431 -7.406 1.00 0.00 O ATOM 299 ND2 ASN A 18 5.640 1.168 -7.403 1.00 0.00 N ATOM 0 H ASN A 18 3.195 -0.874 -5.311 1.00 0.00 H new ATOM 0 HA ASN A 18 6.048 -0.339 -5.397 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.438 1.175 -4.894 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.981 2.001 -4.804 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.671 1.240 -8.420 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.501 1.024 -6.876 1.00 0.00 H new ATOM 306 N ILE A 19 4.597 -0.350 -2.480 1.00 0.00 N ATOM 307 CA ILE A 19 4.914 -0.354 -1.032 1.00 0.00 C ATOM 308 C ILE A 19 5.887 -1.493 -0.732 1.00 0.00 C ATOM 309 O ILE A 19 6.865 -1.321 -0.031 1.00 0.00 O ATOM 310 CB ILE A 19 3.568 -0.583 -0.335 1.00 0.00 C ATOM 311 CG1 ILE A 19 2.876 0.764 -0.112 1.00 0.00 C ATOM 312 CG2 ILE A 19 3.789 -1.268 1.016 1.00 0.00 C ATOM 313 CD1 ILE A 19 1.400 0.532 0.218 1.00 0.00 C ATOM 0 H ILE A 19 3.625 -0.552 -2.712 1.00 0.00 H new ATOM 0 HA ILE A 19 5.385 0.569 -0.695 1.00 0.00 H new ATOM 0 HB ILE A 19 2.944 -1.220 -0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.361 1.304 0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.967 1.384 -1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.828 -1.427 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.281 -2.228 0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.416 -0.637 1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.908 1.491 0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.920 0.010 -0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.320 -0.071 1.122 1.00 0.00 H new ATOM 325 N LEU A 20 5.640 -2.655 -1.282 1.00 0.00 N ATOM 326 CA LEU A 20 6.568 -3.793 -1.051 1.00 0.00 C ATOM 327 C LEU A 20 7.937 -3.454 -1.638 1.00 0.00 C ATOM 328 O LEU A 20 8.963 -3.708 -1.039 1.00 0.00 O ATOM 329 CB LEU A 20 5.943 -4.976 -1.790 1.00 0.00 C ATOM 330 CG LEU A 20 4.537 -5.232 -1.249 1.00 0.00 C ATOM 331 CD1 LEU A 20 3.698 -5.932 -2.319 1.00 0.00 C ATOM 332 CD2 LEU A 20 4.625 -6.123 -0.007 1.00 0.00 C ATOM 0 H LEU A 20 4.838 -2.860 -1.878 1.00 0.00 H new ATOM 0 HA LEU A 20 6.710 -4.014 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.900 -4.769 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.560 -5.865 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 20 4.070 -4.283 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.695 -6.115 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.636 -5.299 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.164 -6.882 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.623 -6.307 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.091 -7.072 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.224 -5.625 0.756 1.00 0.00 H new ATOM 344 N ASN A 21 7.960 -2.852 -2.799 1.00 0.00 N ATOM 345 CA ASN A 21 9.260 -2.466 -3.409 1.00 0.00 C ATOM 346 C ASN A 21 9.957 -1.451 -2.508 1.00 0.00 C ATOM 347 O ASN A 21 11.169 -1.401 -2.428 1.00 0.00 O ATOM 348 CB ASN A 21 8.894 -1.834 -4.755 1.00 0.00 C ATOM 349 CG ASN A 21 10.032 -0.922 -5.220 1.00 0.00 C ATOM 350 OD1 ASN A 21 10.052 0.253 -4.909 1.00 0.00 O ATOM 351 ND2 ASN A 21 10.988 -1.416 -5.959 1.00 0.00 N ATOM 0 H ASN A 21 7.134 -2.613 -3.348 1.00 0.00 H new ATOM 0 HA ASN A 21 9.937 -3.311 -3.535 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.712 -2.612 -5.496 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.971 -1.262 -4.661 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.750 -0.816 -6.275 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.973 -2.402 -6.221 1.00 0.00 H new ATOM 358 N GLU A 22 9.195 -0.649 -1.815 1.00 0.00 N ATOM 359 CA GLU A 22 9.805 0.353 -0.902 1.00 0.00 C ATOM 360 C GLU A 22 10.269 -0.330 0.380 1.00 0.00 C ATOM 361 O GLU A 22 11.354 -0.085 0.868 1.00 0.00 O ATOM 362 CB GLU A 22 8.687 1.352 -0.606 1.00 0.00 C ATOM 363 CG GLU A 22 8.857 2.585 -1.493 1.00 0.00 C ATOM 364 CD GLU A 22 7.481 3.130 -1.879 1.00 0.00 C ATOM 365 OE1 GLU A 22 6.741 2.410 -2.529 1.00 0.00 O ATOM 366 OE2 GLU A 22 7.190 4.259 -1.516 1.00 0.00 O ATOM 0 H GLU A 22 8.175 -0.646 -1.843 1.00 0.00 H new ATOM 0 HA GLU A 22 10.677 0.840 -1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.716 0.891 -0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.712 1.641 0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.428 3.349 -0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.422 2.327 -2.389 1.00 0.00 H new ATOM 373 N LEU A 23 9.468 -1.207 0.920 1.00 0.00 N ATOM 374 CA LEU A 23 9.886 -1.922 2.154 1.00 0.00 C ATOM 375 C LEU A 23 11.138 -2.748 1.862 1.00 0.00 C ATOM 376 O LEU A 23 12.024 -2.867 2.685 1.00 0.00 O ATOM 377 CB LEU A 23 8.712 -2.831 2.506 1.00 0.00 C ATOM 378 CG LEU A 23 7.820 -2.144 3.543 1.00 0.00 C ATOM 379 CD1 LEU A 23 8.675 -1.676 4.722 1.00 0.00 C ATOM 380 CD2 LEU A 23 7.131 -0.937 2.902 1.00 0.00 C ATOM 0 H LEU A 23 8.547 -1.457 0.561 1.00 0.00 H new ATOM 0 HA LEU A 23 10.126 -1.244 2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.135 -3.059 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.079 -3.779 2.899 1.00 0.00 H new ATOM 0 HG LEU A 23 7.067 -2.847 3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.040 -1.187 5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.167 -2.535 5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.428 -0.972 4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.495 -0.447 3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.885 -0.234 2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.522 -1.270 2.062 1.00 0.00 H new ATOM 392 N GLN A 24 11.222 -3.306 0.684 1.00 0.00 N ATOM 393 CA GLN A 24 12.423 -4.108 0.322 1.00 0.00 C ATOM 394 C GLN A 24 13.637 -3.188 0.187 1.00 0.00 C ATOM 395 O GLN A 24 14.707 -3.480 0.686 1.00 0.00 O ATOM 396 CB GLN A 24 12.081 -4.750 -1.024 1.00 0.00 C ATOM 397 CG GLN A 24 13.357 -5.295 -1.669 1.00 0.00 C ATOM 398 CD GLN A 24 14.080 -4.167 -2.409 1.00 0.00 C ATOM 399 OE1 GLN A 24 15.041 -3.615 -1.910 1.00 0.00 O ATOM 400 NE2 GLN A 24 13.656 -3.800 -3.587 1.00 0.00 N ATOM 0 H GLN A 24 10.509 -3.240 -0.043 1.00 0.00 H new ATOM 0 HA GLN A 24 12.669 -4.857 1.075 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.360 -5.555 -0.882 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.614 -4.016 -1.681 1.00 0.00 H new ATOM 0 HG2 GLN A 24 14.009 -5.720 -0.906 1.00 0.00 H new ATOM 0 HG3 GLN A 24 13.111 -6.099 -2.362 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.850 -4.263 -4.006 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.131 -3.050 -4.089 1.00 0.00 H new ATOM 409 N LYS A 25 13.479 -2.072 -0.473 1.00 0.00 N ATOM 410 CA LYS A 25 14.627 -1.130 -0.622 1.00 0.00 C ATOM 411 C LYS A 25 14.920 -0.453 0.712 1.00 0.00 C ATOM 412 O LYS A 25 16.058 -0.230 1.071 1.00 0.00 O ATOM 413 CB LYS A 25 14.173 -0.107 -1.675 1.00 0.00 C ATOM 414 CG LYS A 25 13.590 1.134 -0.986 1.00 0.00 C ATOM 415 CD LYS A 25 13.113 2.129 -2.047 1.00 0.00 C ATOM 416 CE LYS A 25 12.913 3.505 -1.406 1.00 0.00 C ATOM 417 NZ LYS A 25 13.653 4.450 -2.289 1.00 0.00 N ATOM 0 H LYS A 25 12.609 -1.772 -0.914 1.00 0.00 H new ATOM 0 HA LYS A 25 15.545 -1.633 -0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.017 0.179 -2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.425 -0.554 -2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.760 0.848 -0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.344 1.598 -0.350 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.844 2.195 -2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.179 1.784 -2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.856 3.764 -1.348 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.303 3.527 -0.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.563 5.416 -1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.657 4.182 -2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.255 4.412 -3.249 1.00 0.00 H new ATOM 431 N ASP A 26 13.903 -0.139 1.455 1.00 0.00 N ATOM 432 CA ASP A 26 14.124 0.509 2.771 1.00 0.00 C ATOM 433 C ASP A 26 13.222 -0.133 3.832 1.00 0.00 C ATOM 434 O ASP A 26 12.090 0.266 4.020 1.00 0.00 O ATOM 435 CB ASP A 26 13.743 1.974 2.559 1.00 0.00 C ATOM 436 CG ASP A 26 14.968 2.861 2.793 1.00 0.00 C ATOM 437 OD1 ASP A 26 15.206 3.218 3.936 1.00 0.00 O ATOM 438 OD2 ASP A 26 15.646 3.168 1.828 1.00 0.00 O ATOM 0 H ASP A 26 12.927 -0.303 1.208 1.00 0.00 H new ATOM 0 HA ASP A 26 15.151 0.402 3.119 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.364 2.119 1.547 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.942 2.255 3.243 1.00 0.00 H new ATOM 443 N GLY A 27 13.712 -1.130 4.518 1.00 0.00 N ATOM 444 CA GLY A 27 12.877 -1.801 5.556 1.00 0.00 C ATOM 445 C GLY A 27 12.833 -0.938 6.819 1.00 0.00 C ATOM 446 O GLY A 27 12.072 -1.195 7.730 1.00 0.00 O ATOM 0 H GLY A 27 14.652 -1.508 4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.867 -1.960 5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.289 -2.783 5.789 1.00 0.00 H new ATOM 450 N ARG A 28 13.645 0.082 6.883 1.00 0.00 N ATOM 451 CA ARG A 28 13.648 0.958 8.091 1.00 0.00 C ATOM 452 C ARG A 28 12.578 2.046 7.966 1.00 0.00 C ATOM 453 O ARG A 28 12.693 3.110 8.540 1.00 0.00 O ATOM 454 CB ARG A 28 15.042 1.582 8.118 1.00 0.00 C ATOM 455 CG ARG A 28 16.076 0.503 8.436 1.00 0.00 C ATOM 456 CD ARG A 28 16.242 -0.419 7.225 1.00 0.00 C ATOM 457 NE ARG A 28 17.622 -0.964 7.345 1.00 0.00 N ATOM 458 CZ ARG A 28 17.883 -1.891 8.227 1.00 0.00 C ATOM 459 NH1 ARG A 28 17.282 -3.047 8.156 1.00 0.00 N ATOM 460 NH2 ARG A 28 18.744 -1.660 9.181 1.00 0.00 N ATOM 0 H ARG A 28 14.306 0.347 6.153 1.00 0.00 H new ATOM 0 HA ARG A 28 13.427 0.403 9.003 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.265 2.042 7.155 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.084 2.373 8.867 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.031 0.963 8.690 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.760 -0.074 9.305 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.500 -1.217 7.232 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.113 0.128 6.291 1.00 0.00 H new ATOM 0 HE ARG A 28 18.363 -0.614 6.739 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.608 -3.227 7.412 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.486 -3.771 8.845 1.00 0.00 H new ATOM 0 HH21 ARG A 28 19.212 -0.756 9.237 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.948 -2.384 9.870 1.00 0.00 H new ATOM 474 N ILE A 29 11.536 1.788 7.222 1.00 0.00 N ATOM 475 CA ILE A 29 10.462 2.811 7.065 1.00 0.00 C ATOM 476 C ILE A 29 9.182 2.347 7.757 1.00 0.00 C ATOM 477 O ILE A 29 8.957 1.168 7.943 1.00 0.00 O ATOM 478 CB ILE A 29 10.248 2.931 5.555 1.00 0.00 C ATOM 479 CG1 ILE A 29 9.475 4.215 5.250 1.00 0.00 C ATOM 480 CG2 ILE A 29 9.450 1.726 5.052 1.00 0.00 C ATOM 481 CD1 ILE A 29 9.042 4.215 3.784 1.00 0.00 C ATOM 0 H ILE A 29 11.382 0.915 6.717 1.00 0.00 H new ATOM 0 HA ILE A 29 10.732 3.766 7.515 1.00 0.00 H new ATOM 0 HB ILE A 29 11.216 2.960 5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.602 4.289 5.898 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.099 5.085 5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.299 1.813 3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.000 0.810 5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.483 1.695 5.553 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.491 5.130 3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 29 9.923 4.162 3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.403 3.353 3.593 1.00 0.00 H new ATOM 493 N SER A 30 8.345 3.267 8.148 1.00 0.00 N ATOM 494 CA SER A 30 7.084 2.876 8.835 1.00 0.00 C ATOM 495 C SER A 30 5.880 3.101 7.912 1.00 0.00 C ATOM 496 O SER A 30 5.542 2.259 7.105 1.00 0.00 O ATOM 497 CB SER A 30 7.001 3.790 10.058 1.00 0.00 C ATOM 498 OG SER A 30 8.079 3.498 10.938 1.00 0.00 O ATOM 0 H SER A 30 8.480 4.270 8.022 1.00 0.00 H new ATOM 0 HA SER A 30 7.076 1.822 9.111 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.042 4.834 9.749 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.050 3.646 10.570 1.00 0.00 H new ATOM 0 HG SER A 30 8.029 4.084 11.722 1.00 0.00 H new ATOM 504 N ASN A 31 5.231 4.230 8.026 1.00 0.00 N ATOM 505 CA ASN A 31 4.049 4.502 7.155 1.00 0.00 C ATOM 506 C ASN A 31 4.097 5.936 6.628 1.00 0.00 C ATOM 507 O ASN A 31 3.984 6.168 5.444 1.00 0.00 O ATOM 508 CB ASN A 31 2.833 4.301 8.062 1.00 0.00 C ATOM 509 CG ASN A 31 3.030 5.081 9.365 1.00 0.00 C ATOM 510 OD1 ASN A 31 4.067 5.675 9.580 1.00 0.00 O ATOM 511 ND2 ASN A 31 2.069 5.105 10.248 1.00 0.00 N ATOM 0 H ASN A 31 5.467 4.974 8.683 1.00 0.00 H new ATOM 0 HA ASN A 31 4.019 3.847 6.284 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.929 4.641 7.556 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.699 3.241 8.278 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.189 5.623 11.119 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.198 4.606 10.067 1.00 0.00 H new ATOM 518 N VAL A 32 4.275 6.903 7.488 1.00 0.00 N ATOM 519 CA VAL A 32 4.342 8.310 7.004 1.00 0.00 C ATOM 520 C VAL A 32 5.205 8.369 5.748 1.00 0.00 C ATOM 521 O VAL A 32 4.749 8.745 4.687 1.00 0.00 O ATOM 522 CB VAL A 32 4.990 9.097 8.142 1.00 0.00 C ATOM 523 CG1 VAL A 32 5.236 10.537 7.690 1.00 0.00 C ATOM 524 CG2 VAL A 32 4.060 9.096 9.358 1.00 0.00 C ATOM 0 H VAL A 32 4.376 6.780 8.496 1.00 0.00 H new ATOM 0 HA VAL A 32 3.363 8.715 6.749 1.00 0.00 H new ATOM 0 HB VAL A 32 5.939 8.633 8.410 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.698 11.099 8.501 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.898 10.538 6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.287 11.001 7.422 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.522 9.657 10.170 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.111 9.560 9.090 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.884 8.070 9.681 1.00 0.00 H new ATOM 534 N GLU A 33 6.437 7.953 5.847 1.00 0.00 N ATOM 535 CA GLU A 33 7.306 7.935 4.645 1.00 0.00 C ATOM 536 C GLU A 33 6.750 6.920 3.649 1.00 0.00 C ATOM 537 O GLU A 33 6.911 7.050 2.453 1.00 0.00 O ATOM 538 CB GLU A 33 8.682 7.499 5.151 1.00 0.00 C ATOM 539 CG GLU A 33 9.747 8.467 4.635 1.00 0.00 C ATOM 540 CD GLU A 33 9.932 9.607 5.639 1.00 0.00 C ATOM 541 OE1 GLU A 33 9.065 9.775 6.481 1.00 0.00 O ATOM 542 OE2 GLU A 33 10.938 10.293 5.548 1.00 0.00 O ATOM 0 H GLU A 33 6.876 7.626 6.708 1.00 0.00 H new ATOM 0 HA GLU A 33 7.358 8.900 4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.691 7.480 6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.901 6.486 4.812 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.690 7.941 4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.451 8.867 3.665 1.00 0.00 H new ATOM 549 N LEU A 34 6.068 5.921 4.142 1.00 0.00 N ATOM 550 CA LEU A 34 5.465 4.904 3.239 1.00 0.00 C ATOM 551 C LEU A 34 4.221 5.485 2.569 1.00 0.00 C ATOM 552 O LEU A 34 3.710 4.945 1.611 1.00 0.00 O ATOM 553 CB LEU A 34 5.088 3.736 4.149 1.00 0.00 C ATOM 554 CG LEU A 34 5.663 2.438 3.580 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.133 1.248 4.379 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.245 2.294 2.113 1.00 0.00 C ATOM 0 H LEU A 34 5.903 5.767 5.137 1.00 0.00 H new ATOM 0 HA LEU A 34 6.145 4.593 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.473 3.906 5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.004 3.660 4.231 1.00 0.00 H new ATOM 0 HG LEU A 34 6.751 2.464 3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.544 0.324 3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.431 1.349 5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.045 1.221 4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.655 1.369 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.157 2.270 2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.625 3.141 1.542 1.00 0.00 H new ATOM 568 N SER A 35 3.717 6.572 3.084 1.00 0.00 N ATOM 569 CA SER A 35 2.496 7.186 2.495 1.00 0.00 C ATOM 570 C SER A 35 2.860 8.170 1.374 1.00 0.00 C ATOM 571 O SER A 35 2.290 8.144 0.303 1.00 0.00 O ATOM 572 CB SER A 35 1.837 7.924 3.650 1.00 0.00 C ATOM 573 OG SER A 35 2.490 9.172 3.846 1.00 0.00 O ATOM 0 H SER A 35 4.101 7.063 3.891 1.00 0.00 H new ATOM 0 HA SER A 35 1.841 6.437 2.049 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.780 8.083 3.438 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.893 7.325 4.559 1.00 0.00 H new ATOM 0 HG SER A 35 3.181 9.075 4.534 1.00 0.00 H new ATOM 579 N LYS A 36 3.785 9.058 1.624 1.00 0.00 N ATOM 580 CA LYS A 36 4.153 10.067 0.581 1.00 0.00 C ATOM 581 C LYS A 36 5.152 9.484 -0.426 1.00 0.00 C ATOM 582 O LYS A 36 5.279 9.968 -1.533 1.00 0.00 O ATOM 583 CB LYS A 36 4.794 11.215 1.359 1.00 0.00 C ATOM 584 CG LYS A 36 3.716 11.961 2.148 1.00 0.00 C ATOM 585 CD LYS A 36 4.124 12.041 3.619 1.00 0.00 C ATOM 586 CE LYS A 36 5.066 13.230 3.823 1.00 0.00 C ATOM 587 NZ LYS A 36 4.176 14.424 3.844 1.00 0.00 N ATOM 0 H LYS A 36 4.301 9.131 2.501 1.00 0.00 H new ATOM 0 HA LYS A 36 3.285 10.385 0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.555 10.829 2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.296 11.898 0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.581 12.964 1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.759 11.447 2.052 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.240 12.152 4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.617 11.117 3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.624 13.137 4.755 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.798 13.297 3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.563 15.156 3.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.226 14.154 3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.117 14.796 4.813 1.00 0.00 H new ATOM 601 N ARG A 37 5.871 8.463 -0.054 1.00 0.00 N ATOM 602 CA ARG A 37 6.866 7.873 -0.998 1.00 0.00 C ATOM 603 C ARG A 37 6.160 7.105 -2.108 1.00 0.00 C ATOM 604 O ARG A 37 6.738 6.800 -3.133 1.00 0.00 O ATOM 605 CB ARG A 37 7.712 6.930 -0.149 1.00 0.00 C ATOM 606 CG ARG A 37 8.693 7.747 0.689 1.00 0.00 C ATOM 607 CD ARG A 37 9.646 6.803 1.423 1.00 0.00 C ATOM 608 NE ARG A 37 10.836 6.695 0.534 1.00 0.00 N ATOM 609 CZ ARG A 37 12.034 6.671 1.048 1.00 0.00 C ATOM 610 NH1 ARG A 37 12.291 5.900 2.067 1.00 0.00 N ATOM 611 NH2 ARG A 37 12.976 7.419 0.540 1.00 0.00 N ATOM 0 H ARG A 37 5.815 8.011 0.859 1.00 0.00 H new ATOM 0 HA ARG A 37 7.472 8.639 -1.483 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.071 6.333 0.500 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.255 6.234 -0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.257 8.425 0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.150 8.363 1.406 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.918 7.198 2.402 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.187 5.828 1.589 1.00 0.00 H new ATOM 0 HE ARG A 37 10.714 6.640 -0.477 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.555 5.315 2.463 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.228 5.881 2.469 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.774 8.021 -0.258 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.914 7.401 0.941 1.00 0.00 H new ATOM 625 N VAL A 38 4.917 6.798 -1.920 1.00 0.00 N ATOM 626 CA VAL A 38 4.166 6.055 -2.975 1.00 0.00 C ATOM 627 C VAL A 38 3.131 6.972 -3.626 1.00 0.00 C ATOM 628 O VAL A 38 2.546 6.647 -4.641 1.00 0.00 O ATOM 629 CB VAL A 38 3.485 4.884 -2.254 1.00 0.00 C ATOM 630 CG1 VAL A 38 4.450 3.701 -2.189 1.00 0.00 C ATOM 631 CG2 VAL A 38 3.100 5.303 -0.837 1.00 0.00 C ATOM 0 H VAL A 38 4.380 7.026 -1.083 1.00 0.00 H new ATOM 0 HA VAL A 38 4.821 5.700 -3.771 1.00 0.00 H new ATOM 0 HB VAL A 38 2.587 4.597 -2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.969 2.867 -1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.723 3.398 -3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.347 3.993 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.617 4.468 -0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.996 5.593 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.412 6.148 -0.881 1.00 0.00 H new ATOM 641 N GLY A 39 2.927 8.130 -3.068 1.00 0.00 N ATOM 642 CA GLY A 39 1.962 9.090 -3.671 1.00 0.00 C ATOM 643 C GLY A 39 0.576 8.928 -3.031 1.00 0.00 C ATOM 644 O GLY A 39 -0.433 8.977 -3.705 1.00 0.00 O ATOM 0 H GLY A 39 3.388 8.455 -2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.318 10.111 -3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.895 8.922 -4.746 1.00 0.00 H new ATOM 648 N LEU A 40 0.516 8.754 -1.739 1.00 0.00 N ATOM 649 CA LEU A 40 -0.817 8.615 -1.070 1.00 0.00 C ATOM 650 C LEU A 40 -0.739 9.065 0.381 1.00 0.00 C ATOM 651 O LEU A 40 0.325 9.176 0.954 1.00 0.00 O ATOM 652 CB LEU A 40 -1.153 7.124 -1.121 1.00 0.00 C ATOM 653 CG LEU A 40 0.102 6.303 -0.854 1.00 0.00 C ATOM 654 CD1 LEU A 40 -0.173 5.287 0.261 1.00 0.00 C ATOM 655 CD2 LEU A 40 0.506 5.562 -2.127 1.00 0.00 C ATOM 0 H LEU A 40 1.324 8.702 -1.118 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.571 9.227 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.917 6.888 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.565 6.868 -2.097 1.00 0.00 H new ATOM 0 HG LEU A 40 0.909 6.968 -0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.727 4.701 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.460 5.814 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.981 4.622 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.404 4.974 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.303 4.899 -2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.706 6.283 -2.920 1.00 0.00 H new ATOM 667 N SER A 41 -1.865 9.275 0.997 1.00 0.00 N ATOM 668 CA SER A 41 -1.861 9.656 2.428 1.00 0.00 C ATOM 669 C SER A 41 -1.477 8.451 3.253 1.00 0.00 C ATOM 670 O SER A 41 -1.563 7.331 2.790 1.00 0.00 O ATOM 671 CB SER A 41 -3.290 10.082 2.742 1.00 0.00 C ATOM 672 OG SER A 41 -3.444 11.467 2.462 1.00 0.00 O ATOM 0 H SER A 41 -2.788 9.199 0.569 1.00 0.00 H new ATOM 0 HA SER A 41 -1.154 10.456 2.648 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.993 9.499 2.147 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.518 9.884 3.789 1.00 0.00 H new ATOM 0 HG SER A 41 -4.363 11.741 2.662 1.00 0.00 H new ATOM 678 N PRO A 42 -1.041 8.706 4.435 1.00 0.00 N ATOM 679 CA PRO A 42 -0.612 7.617 5.308 1.00 0.00 C ATOM 680 C PRO A 42 -1.817 6.840 5.829 1.00 0.00 C ATOM 681 O PRO A 42 -1.876 5.633 5.716 1.00 0.00 O ATOM 682 CB PRO A 42 0.126 8.323 6.432 1.00 0.00 C ATOM 683 CG PRO A 42 -0.447 9.708 6.465 1.00 0.00 C ATOM 684 CD PRO A 42 -0.911 10.022 5.064 1.00 0.00 C ATOM 0 HA PRO A 42 0.014 6.882 4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.023 7.812 7.383 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.200 8.345 6.246 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.277 9.766 7.169 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.302 10.428 6.795 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.860 10.559 5.068 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.192 10.649 4.536 1.00 0.00 H new ATOM 692 N THR A 43 -2.789 7.516 6.382 1.00 0.00 N ATOM 693 CA THR A 43 -3.995 6.797 6.888 1.00 0.00 C ATOM 694 C THR A 43 -4.341 5.638 5.943 1.00 0.00 C ATOM 695 O THR A 43 -4.412 4.499 6.360 1.00 0.00 O ATOM 696 CB THR A 43 -5.109 7.854 6.902 1.00 0.00 C ATOM 697 OG1 THR A 43 -5.154 8.472 8.181 1.00 0.00 O ATOM 698 CG2 THR A 43 -6.459 7.193 6.609 1.00 0.00 C ATOM 0 H THR A 43 -2.801 8.529 6.505 1.00 0.00 H new ATOM 0 HA THR A 43 -3.846 6.363 7.877 1.00 0.00 H new ATOM 0 HB THR A 43 -4.904 8.603 6.137 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.863 9.148 8.193 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.244 7.949 6.621 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.427 6.718 5.628 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.668 6.441 7.369 1.00 0.00 H new ATOM 706 N PRO A 44 -4.512 5.970 4.689 1.00 0.00 N ATOM 707 CA PRO A 44 -4.814 4.943 3.673 1.00 0.00 C ATOM 708 C PRO A 44 -3.549 4.158 3.329 1.00 0.00 C ATOM 709 O PRO A 44 -3.584 2.952 3.184 1.00 0.00 O ATOM 710 CB PRO A 44 -5.291 5.748 2.473 1.00 0.00 C ATOM 711 CG PRO A 44 -4.666 7.103 2.637 1.00 0.00 C ATOM 712 CD PRO A 44 -4.452 7.318 4.120 1.00 0.00 C ATOM 0 HA PRO A 44 -5.552 4.213 4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.982 5.282 1.538 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.379 5.816 2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.719 7.158 2.099 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.312 7.878 2.225 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.491 7.792 4.319 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.221 7.964 4.544 1.00 0.00 H new ATOM 720 N CYS A 45 -2.421 4.823 3.216 1.00 0.00 N ATOM 721 CA CYS A 45 -1.160 4.086 2.910 1.00 0.00 C ATOM 722 C CYS A 45 -1.158 2.783 3.683 1.00 0.00 C ATOM 723 O CYS A 45 -0.957 1.719 3.133 1.00 0.00 O ATOM 724 CB CYS A 45 -0.030 4.991 3.392 1.00 0.00 C ATOM 725 SG CYS A 45 1.558 4.166 3.120 1.00 0.00 S ATOM 0 H CYS A 45 -2.323 5.833 3.322 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.054 3.853 1.851 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.056 5.940 2.857 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.158 5.219 4.450 1.00 0.00 H new ATOM 0 HG CYS A 45 2.071 4.571 1.996 1.00 0.00 H new ATOM 731 N LEU A 46 -1.448 2.851 4.948 1.00 0.00 N ATOM 732 CA LEU A 46 -1.538 1.614 5.744 1.00 0.00 C ATOM 733 C LEU A 46 -2.594 0.724 5.120 1.00 0.00 C ATOM 734 O LEU A 46 -2.345 -0.412 4.784 1.00 0.00 O ATOM 735 CB LEU A 46 -1.964 2.070 7.133 1.00 0.00 C ATOM 736 CG LEU A 46 -0.897 3.001 7.700 1.00 0.00 C ATOM 737 CD1 LEU A 46 -1.476 4.405 7.873 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.430 2.471 9.054 1.00 0.00 C ATOM 0 H LEU A 46 -1.626 3.714 5.461 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.605 1.052 5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.924 2.584 7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.098 1.209 7.787 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.052 3.044 7.013 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.711 5.067 8.278 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.808 4.783 6.906 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.323 4.367 8.558 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.333 3.135 9.461 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.277 2.427 9.739 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.012 1.472 8.929 1.00 0.00 H new ATOM 750 N GLU A 47 -3.768 1.253 4.908 1.00 0.00 N ATOM 751 CA GLU A 47 -4.829 0.451 4.249 1.00 0.00 C ATOM 752 C GLU A 47 -4.216 -0.320 3.079 1.00 0.00 C ATOM 753 O GLU A 47 -4.533 -1.469 2.838 1.00 0.00 O ATOM 754 CB GLU A 47 -5.850 1.471 3.745 1.00 0.00 C ATOM 755 CG GLU A 47 -7.167 1.292 4.503 1.00 0.00 C ATOM 756 CD GLU A 47 -8.233 0.749 3.549 1.00 0.00 C ATOM 757 OE1 GLU A 47 -8.149 1.044 2.368 1.00 0.00 O ATOM 758 OE2 GLU A 47 -9.115 0.048 4.016 1.00 0.00 O ATOM 0 H GLU A 47 -4.035 2.204 5.163 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.290 -0.274 4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.470 2.483 3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.013 1.340 2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.028 0.606 5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.490 2.245 4.923 1.00 0.00 H new ATOM 765 N ARG A 48 -3.306 0.302 2.373 1.00 0.00 N ATOM 766 CA ARG A 48 -2.632 -0.391 1.240 1.00 0.00 C ATOM 767 C ARG A 48 -1.679 -1.454 1.794 1.00 0.00 C ATOM 768 O ARG A 48 -1.788 -2.629 1.490 1.00 0.00 O ATOM 769 CB ARG A 48 -1.850 0.707 0.508 1.00 0.00 C ATOM 770 CG ARG A 48 -2.773 1.898 0.227 1.00 0.00 C ATOM 771 CD ARG A 48 -3.527 1.664 -1.084 1.00 0.00 C ATOM 772 NE ARG A 48 -4.952 1.505 -0.681 1.00 0.00 N ATOM 773 CZ ARG A 48 -5.811 2.453 -0.936 1.00 0.00 C ATOM 774 NH1 ARG A 48 -5.904 3.480 -0.134 1.00 0.00 N ATOM 775 NH2 ARG A 48 -6.576 2.376 -1.990 1.00 0.00 N ATOM 0 H ARG A 48 -3.002 1.262 2.535 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.333 -0.894 0.574 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.001 1.027 1.112 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.447 0.318 -0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.480 2.025 1.047 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.189 2.816 0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.401 2.503 -1.768 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.160 0.776 -1.598 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.256 0.655 -0.206 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.306 3.540 0.690 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.575 4.222 -0.332 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.503 1.574 -2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.247 3.118 -2.188 1.00 0.00 H new ATOM 789 N VAL A 49 -0.765 -1.052 2.635 1.00 0.00 N ATOM 790 CA VAL A 49 0.173 -2.033 3.242 1.00 0.00 C ATOM 791 C VAL A 49 -0.625 -3.132 3.948 1.00 0.00 C ATOM 792 O VAL A 49 -0.291 -4.297 3.886 1.00 0.00 O ATOM 793 CB VAL A 49 0.994 -1.216 4.250 1.00 0.00 C ATOM 794 CG1 VAL A 49 1.220 -2.038 5.525 1.00 0.00 C ATOM 795 CG2 VAL A 49 2.345 -0.859 3.633 1.00 0.00 C ATOM 0 H VAL A 49 -0.629 -0.084 2.927 1.00 0.00 H new ATOM 0 HA VAL A 49 0.812 -2.523 2.508 1.00 0.00 H new ATOM 0 HB VAL A 49 0.451 -0.305 4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.803 -1.453 6.236 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.258 -2.294 5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.760 -2.952 5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.929 -0.279 4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.883 -1.773 3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.188 -0.270 2.729 1.00 0.00 H new ATOM 805 N ARG A 50 -1.683 -2.766 4.613 1.00 0.00 N ATOM 806 CA ARG A 50 -2.509 -3.784 5.312 1.00 0.00 C ATOM 807 C ARG A 50 -2.894 -4.888 4.339 1.00 0.00 C ATOM 808 O ARG A 50 -2.722 -6.058 4.611 1.00 0.00 O ATOM 809 CB ARG A 50 -3.744 -3.026 5.792 1.00 0.00 C ATOM 810 CG ARG A 50 -3.311 -1.901 6.734 1.00 0.00 C ATOM 811 CD ARG A 50 -3.193 -2.446 8.154 1.00 0.00 C ATOM 812 NE ARG A 50 -3.526 -1.294 9.034 1.00 0.00 N ATOM 813 CZ ARG A 50 -4.775 -0.987 9.262 1.00 0.00 C ATOM 814 NH1 ARG A 50 -5.613 -1.911 9.646 1.00 0.00 N ATOM 815 NH2 ARG A 50 -5.185 0.240 9.103 1.00 0.00 N ATOM 0 H ARG A 50 -2.011 -1.804 4.702 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.982 -4.258 6.140 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.286 -2.615 4.941 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.425 -3.705 6.306 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.355 -1.489 6.410 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.036 -1.087 6.704 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.878 -3.278 8.316 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.188 -2.817 8.353 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.780 -0.744 9.459 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.292 -2.872 9.768 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.589 -1.672 9.824 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.530 0.961 8.800 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.160 0.479 9.281 1.00 0.00 H new ATOM 829 N ARG A 51 -3.381 -4.526 3.192 1.00 0.00 N ATOM 830 CA ARG A 51 -3.739 -5.562 2.187 1.00 0.00 C ATOM 831 C ARG A 51 -2.534 -6.474 1.963 1.00 0.00 C ATOM 832 O ARG A 51 -2.669 -7.671 1.799 1.00 0.00 O ATOM 833 CB ARG A 51 -4.081 -4.786 0.911 1.00 0.00 C ATOM 834 CG ARG A 51 -3.699 -5.619 -0.320 1.00 0.00 C ATOM 835 CD ARG A 51 -4.260 -7.039 -0.182 1.00 0.00 C ATOM 836 NE ARG A 51 -5.452 -7.068 -1.074 1.00 0.00 N ATOM 837 CZ ARG A 51 -5.648 -8.087 -1.866 1.00 0.00 C ATOM 838 NH1 ARG A 51 -6.067 -9.223 -1.378 1.00 0.00 N ATOM 839 NH2 ARG A 51 -5.424 -7.970 -3.146 1.00 0.00 N ATOM 0 H ARG A 51 -3.547 -3.562 2.905 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.573 -6.189 2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.146 -4.555 0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.548 -3.835 0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.090 -5.150 -1.223 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.615 -5.655 -0.423 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.524 -7.785 -0.481 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.534 -7.257 0.850 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.115 -6.293 -1.066 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.241 -9.315 -0.377 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.220 -10.019 -1.997 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.096 -7.083 -3.527 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.577 -8.766 -3.765 1.00 0.00 H new ATOM 853 N LEU A 52 -1.353 -5.917 1.975 1.00 0.00 N ATOM 854 CA LEU A 52 -0.138 -6.754 1.786 1.00 0.00 C ATOM 855 C LEU A 52 0.052 -7.675 2.992 1.00 0.00 C ATOM 856 O LEU A 52 0.683 -8.710 2.905 1.00 0.00 O ATOM 857 CB LEU A 52 1.019 -5.762 1.679 1.00 0.00 C ATOM 858 CG LEU A 52 0.895 -4.976 0.376 1.00 0.00 C ATOM 859 CD1 LEU A 52 1.952 -3.873 0.343 1.00 0.00 C ATOM 860 CD2 LEU A 52 1.107 -5.922 -0.808 1.00 0.00 C ATOM 0 H LEU A 52 -1.179 -4.921 2.107 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.206 -7.390 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.008 -5.081 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.971 -6.292 1.707 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.097 -4.529 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.863 -3.312 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.803 -3.201 1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.945 -4.319 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.019 -5.364 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.100 -6.368 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.354 -6.709 -0.784 1.00 0.00 H new ATOM 872 N GLU A 53 -0.501 -7.310 4.119 1.00 0.00 N ATOM 873 CA GLU A 53 -0.365 -8.170 5.330 1.00 0.00 C ATOM 874 C GLU A 53 -1.326 -9.357 5.236 1.00 0.00 C ATOM 875 O GLU A 53 -0.936 -10.498 5.396 1.00 0.00 O ATOM 876 CB GLU A 53 -0.748 -7.266 6.505 1.00 0.00 C ATOM 877 CG GLU A 53 0.472 -6.456 6.948 1.00 0.00 C ATOM 878 CD GLU A 53 0.066 -5.492 8.063 1.00 0.00 C ATOM 879 OE1 GLU A 53 -0.999 -4.907 7.953 1.00 0.00 O ATOM 880 OE2 GLU A 53 0.825 -5.355 9.006 1.00 0.00 O ATOM 0 H GLU A 53 -1.040 -6.454 4.252 1.00 0.00 H new ATOM 0 HA GLU A 53 0.641 -8.576 5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.556 -6.595 6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.118 -7.868 7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.258 -7.125 7.299 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.880 -5.901 6.103 1.00 0.00 H new ATOM 887 N ARG A 54 -2.580 -9.099 4.972 1.00 0.00 N ATOM 888 CA ARG A 54 -3.563 -10.215 4.862 1.00 0.00 C ATOM 889 C ARG A 54 -3.010 -11.312 3.952 1.00 0.00 C ATOM 890 O ARG A 54 -3.168 -12.488 4.213 1.00 0.00 O ATOM 891 CB ARG A 54 -4.810 -9.586 4.239 1.00 0.00 C ATOM 892 CG ARG A 54 -5.390 -8.542 5.195 1.00 0.00 C ATOM 893 CD ARG A 54 -5.833 -9.225 6.490 1.00 0.00 C ATOM 894 NE ARG A 54 -7.222 -8.741 6.723 1.00 0.00 N ATOM 895 CZ ARG A 54 -8.044 -9.440 7.458 1.00 0.00 C ATOM 896 NH1 ARG A 54 -7.732 -9.725 8.693 1.00 0.00 N ATOM 897 NH2 ARG A 54 -9.177 -9.854 6.959 1.00 0.00 N ATOM 0 H ARG A 54 -2.965 -8.165 4.828 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.777 -10.674 5.827 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.558 -9.121 3.286 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.553 -10.356 4.031 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.644 -7.778 5.412 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.237 -8.038 4.729 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.804 -10.310 6.394 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.178 -8.961 7.320 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.532 -7.862 6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.847 -9.402 9.083 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.374 -10.271 9.268 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.421 -9.631 5.994 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.818 -10.400 7.534 1.00 0.00 H new ATOM 911 N GLN A 55 -2.359 -10.936 2.885 1.00 0.00 N ATOM 912 CA GLN A 55 -1.792 -11.956 1.959 1.00 0.00 C ATOM 913 C GLN A 55 -0.399 -12.384 2.429 1.00 0.00 C ATOM 914 O GLN A 55 0.432 -12.797 1.645 1.00 0.00 O ATOM 915 CB GLN A 55 -1.710 -11.254 0.603 1.00 0.00 C ATOM 916 CG GLN A 55 -0.691 -10.115 0.678 1.00 0.00 C ATOM 917 CD GLN A 55 -0.703 -9.331 -0.635 1.00 0.00 C ATOM 918 OE1 GLN A 55 0.334 -8.942 -1.133 1.00 0.00 O ATOM 919 NE2 GLN A 55 -1.841 -9.081 -1.222 1.00 0.00 N ATOM 0 H GLN A 55 -2.195 -9.966 2.615 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.401 -12.859 1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.419 -11.966 -0.170 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.689 -10.863 0.324 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.930 -9.454 1.511 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.305 -10.516 0.865 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.713 -9.407 -0.805 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.859 -8.559 -2.098 1.00 0.00 H new ATOM 928 N GLY A 56 -0.139 -12.291 3.706 1.00 0.00 N ATOM 929 CA GLY A 56 1.196 -12.695 4.227 1.00 0.00 C ATOM 930 C GLY A 56 2.294 -12.111 3.336 1.00 0.00 C ATOM 931 O GLY A 56 2.891 -12.804 2.537 1.00 0.00 O ATOM 0 H GLY A 56 -0.795 -11.952 4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.319 -12.343 5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.274 -13.782 4.252 1.00 0.00 H new ATOM 935 N PHE A 57 2.565 -10.841 3.466 1.00 0.00 N ATOM 936 CA PHE A 57 3.627 -10.216 2.625 1.00 0.00 C ATOM 937 C PHE A 57 4.264 -9.031 3.358 1.00 0.00 C ATOM 938 O PHE A 57 4.976 -8.240 2.774 1.00 0.00 O ATOM 939 CB PHE A 57 2.901 -9.735 1.366 1.00 0.00 C ATOM 940 CG PHE A 57 3.910 -9.441 0.275 1.00 0.00 C ATOM 941 CD1 PHE A 57 5.283 -9.553 0.533 1.00 0.00 C ATOM 942 CD2 PHE A 57 3.469 -9.058 -0.998 1.00 0.00 C ATOM 943 CE1 PHE A 57 6.211 -9.282 -0.479 1.00 0.00 C ATOM 944 CE2 PHE A 57 4.397 -8.788 -2.010 1.00 0.00 C ATOM 945 CZ PHE A 57 5.768 -8.901 -1.751 1.00 0.00 C ATOM 0 H PHE A 57 2.098 -10.209 4.117 1.00 0.00 H new ATOM 0 HA PHE A 57 4.432 -10.915 2.395 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.197 -10.495 1.028 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.321 -8.840 1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.625 -9.849 1.514 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.411 -8.971 -1.199 1.00 0.00 H new ATOM 0 HE1 PHE A 57 7.269 -9.367 -0.279 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.055 -8.492 -2.991 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.484 -8.694 -2.533 1.00 0.00 H new ATOM 955 N ILE A 58 4.016 -8.905 4.633 1.00 0.00 N ATOM 956 CA ILE A 58 4.611 -7.771 5.397 1.00 0.00 C ATOM 957 C ILE A 58 5.114 -8.251 6.758 1.00 0.00 C ATOM 958 O ILE A 58 5.244 -7.483 7.689 1.00 0.00 O ATOM 959 CB ILE A 58 3.475 -6.768 5.564 1.00 0.00 C ATOM 960 CG1 ILE A 58 2.766 -6.576 4.222 1.00 0.00 C ATOM 961 CG2 ILE A 58 4.047 -5.429 6.026 1.00 0.00 C ATOM 962 CD1 ILE A 58 3.710 -5.871 3.246 1.00 0.00 C ATOM 0 H ILE A 58 3.429 -9.536 5.178 1.00 0.00 H new ATOM 0 HA ILE A 58 5.468 -7.333 4.884 1.00 0.00 H new ATOM 0 HB ILE A 58 2.766 -7.140 6.304 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.461 -7.541 3.818 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.859 -5.987 4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.237 -4.709 6.146 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.559 -5.562 6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.753 -5.059 5.283 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.207 -5.733 2.289 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.993 -4.899 3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.604 -6.478 3.102 1.00 0.00 H new