USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=7 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 Set 1.1: A 30 SER OG : rot -105:sc= -0.219 USER MOD Set 1.2: A 31 ASN : amide:sc= -5.98! C(o=-6.2!,f=-11!) USER MOD Set 2.1: A 21 ASN : amide:sc= -0.918 K(o=-1.2,f=-2.6!) USER MOD Set 2.2: A 24 GLN : amide:sc= -0.322 K(o=-1.2,f=-2.1!) USER MOD Single : A 18 ASN : amide:sc= -0.159 K(o=-0.16,f=-1.9!) USER MOD Single : A 25 LYS NZ :NH3+ 133:sc= -0.19 (180deg=-2.66!) USER MOD Single : A 35 SER OG : rot -95:sc= 0.767 USER MOD Single : A 36 LYS NZ :NH3+ -147:sc= -0.32 (180deg=-2.59!) 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 -120:sc= -4.15! USER MOD Single : A 55 GLN : amide:sc= -0.378 K(o=-0.38,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 201 N ASP A 13 -2.250 -4.249 -5.834 1.00 0.00 N ATOM 202 CA ASP A 13 -2.728 -2.839 -5.805 1.00 0.00 C ATOM 203 C ASP A 13 -1.563 -1.890 -6.059 1.00 0.00 C ATOM 204 O ASP A 13 -0.508 -2.012 -5.469 1.00 0.00 O ATOM 205 CB ASP A 13 -3.292 -2.639 -4.399 1.00 0.00 C ATOM 206 CG ASP A 13 -4.013 -1.293 -4.324 1.00 0.00 C ATOM 207 OD1 ASP A 13 -3.345 -0.277 -4.435 1.00 0.00 O ATOM 208 OD2 ASP A 13 -5.223 -1.299 -4.158 1.00 0.00 O ATOM 0 HA ASP A 13 -3.476 -2.637 -6.572 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.982 -3.447 -4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.487 -2.674 -3.665 1.00 0.00 H new ATOM 213 N ARG A 14 -1.739 -0.953 -6.946 1.00 0.00 N ATOM 214 CA ARG A 14 -0.638 -0.004 -7.257 1.00 0.00 C ATOM 215 C ARG A 14 0.087 0.417 -5.976 1.00 0.00 C ATOM 216 O ARG A 14 1.301 0.454 -5.920 1.00 0.00 O ATOM 217 CB ARG A 14 -1.329 1.198 -7.898 1.00 0.00 C ATOM 218 CG ARG A 14 -0.749 1.431 -9.293 1.00 0.00 C ATOM 219 CD ARG A 14 -1.029 0.210 -10.172 1.00 0.00 C ATOM 220 NE ARG A 14 -0.215 0.429 -11.399 1.00 0.00 N ATOM 221 CZ ARG A 14 -0.695 0.099 -12.567 1.00 0.00 C ATOM 222 NH1 ARG A 14 -1.089 -1.126 -12.788 1.00 0.00 N ATOM 223 NH2 ARG A 14 -0.779 0.993 -13.514 1.00 0.00 N ATOM 0 H ARG A 14 -2.601 -0.804 -7.470 1.00 0.00 H new ATOM 0 HA ARG A 14 0.113 -0.446 -7.911 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -2.403 1.022 -7.963 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.188 2.085 -7.280 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.191 2.322 -9.738 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.325 1.607 -9.227 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.744 -0.714 -9.668 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.090 0.129 -10.410 1.00 0.00 H new ATOM 0 HE ARG A 14 0.717 0.837 -11.327 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.022 -1.825 -12.048 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.464 -1.384 -13.701 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.470 1.949 -13.341 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.154 0.735 -14.427 1.00 0.00 H new ATOM 237 N ILE A 15 -0.646 0.748 -4.952 1.00 0.00 N ATOM 238 CA ILE A 15 -0.002 1.181 -3.678 1.00 0.00 C ATOM 239 C ILE A 15 0.687 0.002 -2.989 1.00 0.00 C ATOM 240 O ILE A 15 1.627 0.176 -2.241 1.00 0.00 O ATOM 241 CB ILE A 15 -1.147 1.706 -2.820 1.00 0.00 C ATOM 242 CG1 ILE A 15 -1.986 2.702 -3.634 1.00 0.00 C ATOM 243 CG2 ILE A 15 -0.579 2.405 -1.587 1.00 0.00 C ATOM 244 CD1 ILE A 15 -1.063 3.575 -4.491 1.00 0.00 C ATOM 0 H ILE A 15 -1.666 0.738 -4.940 1.00 0.00 H new ATOM 0 HA ILE A 15 0.768 1.934 -3.846 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.778 0.873 -2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.689 2.165 -4.271 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.576 3.328 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.397 2.781 -0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.014 1.697 -1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.052 3.237 -1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.661 4.281 -5.067 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.378 4.123 -3.845 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.493 2.943 -5.171 1.00 0.00 H new ATOM 256 N ASP A 16 0.231 -1.193 -3.227 1.00 0.00 N ATOM 257 CA ASP A 16 0.871 -2.368 -2.572 1.00 0.00 C ATOM 258 C ASP A 16 2.240 -2.643 -3.196 1.00 0.00 C ATOM 259 O ASP A 16 3.252 -2.622 -2.523 1.00 0.00 O ATOM 260 CB ASP A 16 -0.083 -3.534 -2.831 1.00 0.00 C ATOM 261 CG ASP A 16 -1.101 -3.621 -1.693 1.00 0.00 C ATOM 262 OD1 ASP A 16 -0.942 -2.897 -0.724 1.00 0.00 O ATOM 263 OD2 ASP A 16 -2.026 -4.409 -1.809 1.00 0.00 O ATOM 0 H ASP A 16 -0.553 -1.409 -3.843 1.00 0.00 H new ATOM 0 HA ASP A 16 1.037 -2.207 -1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.596 -3.394 -3.782 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.477 -4.466 -2.905 1.00 0.00 H new ATOM 268 N ARG A 17 2.285 -2.898 -4.474 1.00 0.00 N ATOM 269 CA ARG A 17 3.600 -3.169 -5.123 1.00 0.00 C ATOM 270 C ARG A 17 4.550 -2.000 -4.884 1.00 0.00 C ATOM 271 O ARG A 17 5.734 -2.182 -4.682 1.00 0.00 O ATOM 272 CB ARG A 17 3.298 -3.329 -6.616 1.00 0.00 C ATOM 273 CG ARG A 17 2.278 -2.276 -7.058 1.00 0.00 C ATOM 274 CD ARG A 17 2.775 -1.592 -8.334 1.00 0.00 C ATOM 275 NE ARG A 17 2.038 -2.264 -9.440 1.00 0.00 N ATOM 276 CZ ARG A 17 2.523 -3.345 -9.986 1.00 0.00 C ATOM 277 NH1 ARG A 17 2.375 -4.498 -9.394 1.00 0.00 N ATOM 278 NH2 ARG A 17 3.155 -3.274 -11.126 1.00 0.00 N ATOM 0 H ARG A 17 1.476 -2.931 -5.094 1.00 0.00 H new ATOM 0 HA ARG A 17 4.081 -4.060 -4.719 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.216 -3.224 -7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.910 -4.328 -6.812 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.310 -2.744 -7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.135 -1.538 -6.269 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.569 -0.522 -8.315 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.853 -1.707 -8.450 1.00 0.00 H new ATOM 0 HE ARG A 17 1.153 -1.879 -9.771 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.880 -4.554 -8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.754 -5.343 -9.821 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.270 -2.373 -11.590 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.534 -4.119 -11.553 1.00 0.00 H new ATOM 292 N ASN A 18 4.037 -0.809 -4.873 1.00 0.00 N ATOM 293 CA ASN A 18 4.908 0.368 -4.607 1.00 0.00 C ATOM 294 C ASN A 18 5.316 0.364 -3.142 1.00 0.00 C ATOM 295 O ASN A 18 6.463 0.580 -2.804 1.00 0.00 O ATOM 296 CB ASN A 18 4.047 1.593 -4.923 1.00 0.00 C ATOM 297 CG ASN A 18 4.866 2.594 -5.741 1.00 0.00 C ATOM 298 OD1 ASN A 18 6.081 2.554 -5.731 1.00 0.00 O ATOM 299 ND2 ASN A 18 4.249 3.496 -6.453 1.00 0.00 N ATOM 0 H ASN A 18 3.053 -0.595 -5.036 1.00 0.00 H new ATOM 0 HA ASN A 18 5.819 0.361 -5.206 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.159 1.293 -5.479 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.703 2.057 -3.999 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.786 4.168 -7.001 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.230 3.530 -6.461 1.00 0.00 H new ATOM 306 N ILE A 19 4.392 0.081 -2.269 1.00 0.00 N ATOM 307 CA ILE A 19 4.732 0.019 -0.829 1.00 0.00 C ATOM 308 C ILE A 19 5.677 -1.156 -0.586 1.00 0.00 C ATOM 309 O ILE A 19 6.568 -1.089 0.237 1.00 0.00 O ATOM 310 CB ILE A 19 3.399 -0.203 -0.112 1.00 0.00 C ATOM 311 CG1 ILE A 19 2.658 1.129 0.016 1.00 0.00 C ATOM 312 CG2 ILE A 19 3.659 -0.771 1.280 1.00 0.00 C ATOM 313 CD1 ILE A 19 1.323 0.903 0.728 1.00 0.00 C ATOM 0 H ILE A 19 3.416 -0.110 -2.494 1.00 0.00 H new ATOM 0 HA ILE A 19 5.230 0.921 -0.473 1.00 0.00 H new ATOM 0 HB ILE A 19 2.792 -0.904 -0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.264 1.842 0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.488 1.559 -0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.710 -0.929 1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.187 -1.721 1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.266 -0.069 1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.794 1.852 0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.717 0.204 0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.505 0.492 1.721 1.00 0.00 H new ATOM 325 N LEU A 20 5.504 -2.227 -1.318 1.00 0.00 N ATOM 326 CA LEU A 20 6.410 -3.393 -1.147 1.00 0.00 C ATOM 327 C LEU A 20 7.784 -3.059 -1.728 1.00 0.00 C ATOM 328 O LEU A 20 8.806 -3.386 -1.158 1.00 0.00 O ATOM 329 CB LEU A 20 5.752 -4.526 -1.936 1.00 0.00 C ATOM 330 CG LEU A 20 4.515 -5.019 -1.184 1.00 0.00 C ATOM 331 CD1 LEU A 20 3.864 -6.161 -1.967 1.00 0.00 C ATOM 332 CD2 LEU A 20 4.926 -5.520 0.202 1.00 0.00 C ATOM 0 H LEU A 20 4.776 -2.341 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 20 6.556 -3.664 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.471 -4.176 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.458 -5.345 -2.074 1.00 0.00 H new ATOM 0 HG LEU A 20 3.804 -4.200 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.982 -6.513 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.571 -5.804 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.575 -6.980 -2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.044 -5.871 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.637 -6.339 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.390 -4.707 0.760 1.00 0.00 H new ATOM 344 N ASN A 21 7.816 -2.381 -2.849 1.00 0.00 N ATOM 345 CA ASN A 21 9.124 -1.997 -3.444 1.00 0.00 C ATOM 346 C ASN A 21 9.817 -0.991 -2.530 1.00 0.00 C ATOM 347 O ASN A 21 11.019 -1.022 -2.349 1.00 0.00 O ATOM 348 CB ASN A 21 8.778 -1.355 -4.789 1.00 0.00 C ATOM 349 CG ASN A 21 9.970 -0.531 -5.285 1.00 0.00 C ATOM 350 OD1 ASN A 21 11.096 -0.784 -4.906 1.00 0.00 O ATOM 351 ND2 ASN A 21 9.768 0.451 -6.121 1.00 0.00 N ATOM 0 H ASN A 21 6.994 -2.080 -3.373 1.00 0.00 H new ATOM 0 HA ASN A 21 9.797 -2.845 -3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.527 -2.126 -5.518 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.900 -0.717 -4.684 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.556 1.006 -6.456 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.823 0.663 -6.439 1.00 0.00 H new ATOM 358 N GLU A 22 9.060 -0.113 -1.930 1.00 0.00 N ATOM 359 CA GLU A 22 9.664 0.877 -1.002 1.00 0.00 C ATOM 360 C GLU A 22 10.051 0.182 0.303 1.00 0.00 C ATOM 361 O GLU A 22 11.037 0.516 0.927 1.00 0.00 O ATOM 362 CB GLU A 22 8.566 1.933 -0.779 1.00 0.00 C ATOM 363 CG GLU A 22 8.023 1.840 0.652 1.00 0.00 C ATOM 364 CD GLU A 22 9.040 2.442 1.624 1.00 0.00 C ATOM 365 OE1 GLU A 22 9.440 3.573 1.407 1.00 0.00 O ATOM 366 OE2 GLU A 22 9.400 1.761 2.570 1.00 0.00 O ATOM 0 H GLU A 22 8.049 -0.041 -2.044 1.00 0.00 H new ATOM 0 HA GLU A 22 10.573 1.334 -1.394 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.968 2.930 -0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.756 1.783 -1.493 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.074 2.371 0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.828 0.799 0.911 1.00 0.00 H new ATOM 373 N LEU A 23 9.298 -0.807 0.702 1.00 0.00 N ATOM 374 CA LEU A 23 9.645 -1.546 1.943 1.00 0.00 C ATOM 375 C LEU A 23 10.877 -2.408 1.687 1.00 0.00 C ATOM 376 O LEU A 23 11.626 -2.729 2.588 1.00 0.00 O ATOM 377 CB LEU A 23 8.428 -2.420 2.239 1.00 0.00 C ATOM 378 CG LEU A 23 7.400 -1.610 3.030 1.00 0.00 C ATOM 379 CD1 LEU A 23 6.109 -2.420 3.165 1.00 0.00 C ATOM 380 CD2 LEU A 23 7.957 -1.301 4.421 1.00 0.00 C ATOM 0 H LEU A 23 8.459 -1.133 0.221 1.00 0.00 H new ATOM 0 HA LEU A 23 9.875 -0.885 2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.988 -2.776 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.728 -3.300 2.807 1.00 0.00 H new ATOM 0 HG LEU A 23 7.190 -0.677 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.375 -1.844 3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.713 -2.641 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.318 -3.353 3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.225 -0.724 4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.166 -2.234 4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.877 -0.725 4.325 1.00 0.00 H new ATOM 392 N GLN A 24 11.102 -2.767 0.451 1.00 0.00 N ATOM 393 CA GLN A 24 12.295 -3.588 0.118 1.00 0.00 C ATOM 394 C GLN A 24 13.553 -2.724 0.192 1.00 0.00 C ATOM 395 O GLN A 24 14.554 -3.115 0.756 1.00 0.00 O ATOM 396 CB GLN A 24 12.055 -4.070 -1.314 1.00 0.00 C ATOM 397 CG GLN A 24 13.378 -4.531 -1.928 1.00 0.00 C ATOM 398 CD GLN A 24 13.873 -3.481 -2.924 1.00 0.00 C ATOM 399 OE1 GLN A 24 13.090 -2.905 -3.655 1.00 0.00 O ATOM 400 NE2 GLN A 24 15.146 -3.205 -2.984 1.00 0.00 N ATOM 0 H GLN A 24 10.508 -2.525 -0.342 1.00 0.00 H new ATOM 0 HA GLN A 24 12.436 -4.421 0.806 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.336 -4.889 -1.317 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.625 -3.266 -1.912 1.00 0.00 H new ATOM 0 HG2 GLN A 24 14.121 -4.683 -1.145 1.00 0.00 H new ATOM 0 HG3 GLN A 24 13.244 -5.489 -2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 24 15.802 -3.688 -2.371 1.00 0.00 H new ATOM 0 HE22 GLN A 24 15.486 -2.506 -3.644 1.00 0.00 H new ATOM 409 N LYS A 25 13.503 -1.538 -0.357 1.00 0.00 N ATOM 410 CA LYS A 25 14.691 -0.643 -0.296 1.00 0.00 C ATOM 411 C LYS A 25 14.892 -0.157 1.134 1.00 0.00 C ATOM 412 O LYS A 25 16.003 0.052 1.581 1.00 0.00 O ATOM 413 CB LYS A 25 14.360 0.524 -1.240 1.00 0.00 C ATOM 414 CG LYS A 25 14.053 1.787 -0.428 1.00 0.00 C ATOM 415 CD LYS A 25 13.723 2.937 -1.379 1.00 0.00 C ATOM 416 CE LYS A 25 12.342 3.501 -1.037 1.00 0.00 C ATOM 417 NZ LYS A 25 12.489 4.978 -1.167 1.00 0.00 N ATOM 0 H LYS A 25 12.693 -1.154 -0.843 1.00 0.00 H new ATOM 0 HA LYS A 25 15.613 -1.142 -0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.199 0.709 -1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.504 0.266 -1.864 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.215 1.605 0.244 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.909 2.049 0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.478 3.719 -1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.739 2.586 -2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.580 3.118 -1.716 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.040 3.221 -0.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.693 5.359 -1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.494 5.411 -0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.382 5.197 -1.653 1.00 0.00 H new ATOM 431 N ASP A 26 13.828 0.008 1.860 1.00 0.00 N ATOM 432 CA ASP A 26 13.956 0.463 3.265 1.00 0.00 C ATOM 433 C ASP A 26 13.145 -0.452 4.189 1.00 0.00 C ATOM 434 O ASP A 26 12.000 -0.183 4.494 1.00 0.00 O ATOM 435 CB ASP A 26 13.388 1.883 3.279 1.00 0.00 C ATOM 436 CG ASP A 26 14.535 2.893 3.219 1.00 0.00 C ATOM 437 OD1 ASP A 26 15.675 2.470 3.309 1.00 0.00 O ATOM 438 OD2 ASP A 26 14.253 4.073 3.085 1.00 0.00 O ATOM 0 H ASP A 26 12.873 -0.153 1.540 1.00 0.00 H new ATOM 0 HA ASP A 26 14.988 0.437 3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.719 2.026 2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.797 2.041 4.181 1.00 0.00 H new ATOM 443 N GLY A 27 13.727 -1.535 4.628 1.00 0.00 N ATOM 444 CA GLY A 27 12.988 -2.469 5.525 1.00 0.00 C ATOM 445 C GLY A 27 12.872 -1.858 6.923 1.00 0.00 C ATOM 446 O GLY A 27 12.313 -2.450 7.825 1.00 0.00 O ATOM 0 H GLY A 27 14.682 -1.813 4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.995 -2.668 5.121 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.508 -3.426 5.578 1.00 0.00 H new ATOM 450 N ARG A 28 13.391 -0.676 7.111 1.00 0.00 N ATOM 451 CA ARG A 28 13.302 -0.027 8.452 1.00 0.00 C ATOM 452 C ARG A 28 12.361 1.180 8.393 1.00 0.00 C ATOM 453 O ARG A 28 12.540 2.154 9.098 1.00 0.00 O ATOM 454 CB ARG A 28 14.733 0.421 8.790 1.00 0.00 C ATOM 455 CG ARG A 28 15.466 0.859 7.516 1.00 0.00 C ATOM 456 CD ARG A 28 14.664 1.958 6.810 1.00 0.00 C ATOM 457 NE ARG A 28 14.563 3.059 7.807 1.00 0.00 N ATOM 458 CZ ARG A 28 15.144 4.205 7.576 1.00 0.00 C ATOM 459 NH1 ARG A 28 14.963 4.811 6.435 1.00 0.00 N ATOM 460 NH2 ARG A 28 15.908 4.744 8.486 1.00 0.00 N ATOM 0 H ARG A 28 13.873 -0.131 6.396 1.00 0.00 H new ATOM 0 HA ARG A 28 12.906 -0.706 9.207 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.705 1.245 9.503 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.274 -0.396 9.267 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.462 1.226 7.766 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.598 0.007 6.850 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.166 2.292 5.902 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.678 1.600 6.515 1.00 0.00 H new ATOM 0 HE ARG A 28 14.040 2.918 8.671 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.367 4.389 5.723 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.417 5.706 6.255 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.051 4.270 9.378 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.362 5.639 8.306 1.00 0.00 H new ATOM 474 N ILE A 29 11.359 1.122 7.558 1.00 0.00 N ATOM 475 CA ILE A 29 10.408 2.264 7.454 1.00 0.00 C ATOM 476 C ILE A 29 9.012 1.834 7.899 1.00 0.00 C ATOM 477 O ILE A 29 8.600 0.711 7.686 1.00 0.00 O ATOM 478 CB ILE A 29 10.407 2.646 5.972 1.00 0.00 C ATOM 479 CG1 ILE A 29 9.622 3.945 5.781 1.00 0.00 C ATOM 480 CG2 ILE A 29 9.754 1.529 5.154 1.00 0.00 C ATOM 481 CD1 ILE A 29 9.682 4.367 4.313 1.00 0.00 C ATOM 0 H ILE A 29 11.158 0.333 6.944 1.00 0.00 H new ATOM 0 HA ILE A 29 10.698 3.101 8.090 1.00 0.00 H new ATOM 0 HB ILE A 29 11.433 2.788 5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.586 3.804 6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.038 4.730 6.413 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.754 1.803 4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.315 0.604 5.289 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.728 1.384 5.491 1.00 0.00 H new ATOM 0 HD11 ILE A 29 9.123 5.293 4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.721 4.525 4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 29 9.246 3.585 3.691 1.00 0.00 H new ATOM 493 N SER A 30 8.285 2.715 8.526 1.00 0.00 N ATOM 494 CA SER A 30 6.920 2.355 8.996 1.00 0.00 C ATOM 495 C SER A 30 5.886 2.619 7.891 1.00 0.00 C ATOM 496 O SER A 30 5.856 1.940 6.883 1.00 0.00 O ATOM 497 CB SER A 30 6.669 3.259 10.202 1.00 0.00 C ATOM 498 OG SER A 30 5.384 2.979 10.742 1.00 0.00 O ATOM 0 H SER A 30 8.578 3.670 8.733 1.00 0.00 H new ATOM 0 HA SER A 30 6.836 1.299 9.254 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.437 3.097 10.958 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.731 4.306 9.905 1.00 0.00 H new ATOM 0 HG SER A 30 4.763 3.696 10.497 1.00 0.00 H new ATOM 504 N ASN A 31 5.036 3.599 8.074 1.00 0.00 N ATOM 505 CA ASN A 31 4.009 3.897 7.033 1.00 0.00 C ATOM 506 C ASN A 31 4.099 5.358 6.601 1.00 0.00 C ATOM 507 O ASN A 31 4.160 5.658 5.431 1.00 0.00 O ATOM 508 CB ASN A 31 2.668 3.619 7.709 1.00 0.00 C ATOM 509 CG ASN A 31 2.660 4.251 9.102 1.00 0.00 C ATOM 510 OD1 ASN A 31 3.324 3.778 10.001 1.00 0.00 O ATOM 511 ND2 ASN A 31 1.929 5.310 9.319 1.00 0.00 N ATOM 0 H ASN A 31 5.010 4.202 8.896 1.00 0.00 H new ATOM 0 HA ASN A 31 4.146 3.294 6.135 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.854 4.026 7.108 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.502 2.544 7.784 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.916 5.740 10.244 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.371 5.708 8.564 1.00 0.00 H new ATOM 518 N VAL A 32 4.113 6.273 7.532 1.00 0.00 N ATOM 519 CA VAL A 32 4.209 7.712 7.148 1.00 0.00 C ATOM 520 C VAL A 32 5.213 7.869 6.009 1.00 0.00 C ATOM 521 O VAL A 32 4.856 8.209 4.898 1.00 0.00 O ATOM 522 CB VAL A 32 4.702 8.431 8.404 1.00 0.00 C ATOM 523 CG1 VAL A 32 4.992 9.895 8.073 1.00 0.00 C ATOM 524 CG2 VAL A 32 3.626 8.358 9.489 1.00 0.00 C ATOM 0 H VAL A 32 4.063 6.090 8.534 1.00 0.00 H new ATOM 0 HA VAL A 32 3.258 8.118 6.803 1.00 0.00 H new ATOM 0 HB VAL A 32 5.613 7.952 8.762 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.343 10.408 8.968 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.758 9.948 7.300 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.081 10.374 7.714 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.977 8.870 10.385 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.715 8.837 9.131 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.418 7.315 9.726 1.00 0.00 H new ATOM 534 N GLU A 33 6.460 7.582 6.260 1.00 0.00 N ATOM 535 CA GLU A 33 7.467 7.670 5.172 1.00 0.00 C ATOM 536 C GLU A 33 7.088 6.687 4.069 1.00 0.00 C ATOM 537 O GLU A 33 7.311 6.926 2.898 1.00 0.00 O ATOM 538 CB GLU A 33 8.793 7.272 5.821 1.00 0.00 C ATOM 539 CG GLU A 33 9.954 7.816 4.985 1.00 0.00 C ATOM 540 CD GLU A 33 10.222 9.272 5.371 1.00 0.00 C ATOM 541 OE1 GLU A 33 10.682 9.496 6.478 1.00 0.00 O ATOM 542 OE2 GLU A 33 9.964 10.138 4.552 1.00 0.00 O ATOM 0 H GLU A 33 6.822 7.292 7.168 1.00 0.00 H new ATOM 0 HA GLU A 33 7.528 8.662 4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.846 7.666 6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.862 6.187 5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.848 7.214 5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.715 7.748 3.924 1.00 0.00 H new ATOM 549 N LEU A 34 6.484 5.589 4.440 1.00 0.00 N ATOM 550 CA LEU A 34 6.053 4.593 3.426 1.00 0.00 C ATOM 551 C LEU A 34 4.925 5.179 2.579 1.00 0.00 C ATOM 552 O LEU A 34 4.691 4.767 1.461 1.00 0.00 O ATOM 553 CB LEU A 34 5.545 3.400 4.239 1.00 0.00 C ATOM 554 CG LEU A 34 5.916 2.099 3.525 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.529 0.908 4.404 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.164 2.015 2.194 1.00 0.00 C ATOM 0 H LEU A 34 6.272 5.342 5.406 1.00 0.00 H new ATOM 0 HA LEU A 34 6.857 4.310 2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.981 3.416 5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.464 3.464 4.362 1.00 0.00 H new ATOM 0 HG LEU A 34 6.990 2.080 3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.793 -0.020 3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.063 0.967 5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.455 0.927 4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.428 1.088 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.090 2.033 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.438 2.864 1.567 1.00 0.00 H new ATOM 568 N SER A 35 4.223 6.140 3.110 1.00 0.00 N ATOM 569 CA SER A 35 3.106 6.759 2.352 1.00 0.00 C ATOM 570 C SER A 35 3.649 7.753 1.325 1.00 0.00 C ATOM 571 O SER A 35 3.192 7.811 0.200 1.00 0.00 O ATOM 572 CB SER A 35 2.274 7.476 3.404 1.00 0.00 C ATOM 573 OG SER A 35 2.832 8.760 3.653 1.00 0.00 O ATOM 0 H SER A 35 4.378 6.524 4.042 1.00 0.00 H new ATOM 0 HA SER A 35 2.522 6.024 1.799 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.243 7.575 3.063 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.250 6.893 4.325 1.00 0.00 H new ATOM 0 HG SER A 35 3.425 8.714 4.432 1.00 0.00 H new ATOM 579 N LYS A 36 4.624 8.533 1.702 1.00 0.00 N ATOM 580 CA LYS A 36 5.200 9.520 0.746 1.00 0.00 C ATOM 581 C LYS A 36 5.924 8.793 -0.388 1.00 0.00 C ATOM 582 O LYS A 36 6.022 9.287 -1.493 1.00 0.00 O ATOM 583 CB LYS A 36 6.190 10.339 1.573 1.00 0.00 C ATOM 584 CG LYS A 36 5.421 11.270 2.513 1.00 0.00 C ATOM 585 CD LYS A 36 5.977 11.136 3.931 1.00 0.00 C ATOM 586 CE LYS A 36 5.801 12.462 4.675 1.00 0.00 C ATOM 587 NZ LYS A 36 6.531 13.467 3.849 1.00 0.00 N ATOM 0 H LYS A 36 5.047 8.530 2.630 1.00 0.00 H new ATOM 0 HA LYS A 36 4.435 10.146 0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.836 9.676 2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.836 10.921 0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.509 12.302 2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.360 11.020 2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.459 10.337 4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.032 10.864 3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.747 12.723 4.774 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.211 12.407 5.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.942 14.194 4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.291 12.995 3.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.870 13.914 3.182 1.00 0.00 H new ATOM 601 N ARG A 37 6.432 7.619 -0.123 1.00 0.00 N ATOM 602 CA ARG A 37 7.149 6.861 -1.188 1.00 0.00 C ATOM 603 C ARG A 37 6.150 6.313 -2.202 1.00 0.00 C ATOM 604 O ARG A 37 6.502 5.953 -3.308 1.00 0.00 O ATOM 605 CB ARG A 37 7.854 5.717 -0.458 1.00 0.00 C ATOM 606 CG ARG A 37 8.599 6.268 0.760 1.00 0.00 C ATOM 607 CD ARG A 37 10.084 6.415 0.427 1.00 0.00 C ATOM 608 NE ARG A 37 10.490 7.698 1.061 1.00 0.00 N ATOM 609 CZ ARG A 37 11.414 8.435 0.509 1.00 0.00 C ATOM 610 NH1 ARG A 37 11.300 8.797 -0.739 1.00 0.00 N ATOM 611 NH2 ARG A 37 12.449 8.815 1.206 1.00 0.00 N ATOM 0 H ARG A 37 6.381 7.153 0.783 1.00 0.00 H new ATOM 0 HA ARG A 37 7.853 7.486 -1.738 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.126 4.969 -0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.553 5.219 -1.130 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.183 7.233 1.048 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.471 5.599 1.611 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.662 5.579 0.820 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.248 6.437 -0.650 1.00 0.00 H new ATOM 0 HE ARG A 37 10.046 8.002 1.928 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.489 8.504 -1.283 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.022 9.373 -1.171 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.536 8.536 2.183 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.171 9.391 0.774 1.00 0.00 H new ATOM 625 N VAL A 38 4.906 6.255 -1.836 1.00 0.00 N ATOM 626 CA VAL A 38 3.874 5.739 -2.780 1.00 0.00 C ATOM 627 C VAL A 38 3.015 6.891 -3.291 1.00 0.00 C ATOM 628 O VAL A 38 1.980 6.687 -3.893 1.00 0.00 O ATOM 629 CB VAL A 38 3.023 4.766 -1.956 1.00 0.00 C ATOM 630 CG1 VAL A 38 2.210 3.882 -2.900 1.00 0.00 C ATOM 631 CG2 VAL A 38 3.930 3.888 -1.091 1.00 0.00 C ATOM 0 H VAL A 38 4.554 6.542 -0.923 1.00 0.00 H new ATOM 0 HA VAL A 38 4.317 5.253 -3.649 1.00 0.00 H new ATOM 0 HB VAL A 38 2.350 5.332 -1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.604 3.189 -2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.560 4.506 -3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.886 3.320 -3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.320 3.198 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.606 3.322 -1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.511 4.518 -0.417 1.00 0.00 H new ATOM 641 N GLY A 39 3.425 8.103 -3.040 1.00 0.00 N ATOM 642 CA GLY A 39 2.618 9.267 -3.496 1.00 0.00 C ATOM 643 C GLY A 39 1.208 9.146 -2.924 1.00 0.00 C ATOM 644 O GLY A 39 0.277 9.767 -3.396 1.00 0.00 O ATOM 0 H GLY A 39 4.283 8.337 -2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.080 10.198 -3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.582 9.297 -4.585 1.00 0.00 H new ATOM 648 N LEU A 40 1.046 8.340 -1.910 1.00 0.00 N ATOM 649 CA LEU A 40 -0.300 8.161 -1.299 1.00 0.00 C ATOM 650 C LEU A 40 -0.251 8.491 0.189 1.00 0.00 C ATOM 651 O LEU A 40 0.626 8.042 0.900 1.00 0.00 O ATOM 652 CB LEU A 40 -0.617 6.675 -1.489 1.00 0.00 C ATOM 653 CG LEU A 40 -1.727 6.263 -0.526 1.00 0.00 C ATOM 654 CD1 LEU A 40 -3.021 6.990 -0.893 1.00 0.00 C ATOM 655 CD2 LEU A 40 -1.945 4.752 -0.616 1.00 0.00 C ATOM 0 H LEU A 40 1.792 7.796 -1.477 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.048 8.811 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.925 6.487 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.276 6.076 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.441 6.528 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.812 6.694 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.865 8.067 -0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.309 6.728 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.738 4.457 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.230 4.485 -1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.023 4.235 -0.350 1.00 0.00 H new ATOM 667 N SER A 41 -1.203 9.231 0.681 1.00 0.00 N ATOM 668 CA SER A 41 -1.209 9.525 2.135 1.00 0.00 C ATOM 669 C SER A 41 -0.974 8.237 2.892 1.00 0.00 C ATOM 670 O SER A 41 -1.178 7.165 2.366 1.00 0.00 O ATOM 671 CB SER A 41 -2.599 10.072 2.436 1.00 0.00 C ATOM 672 OG SER A 41 -2.699 11.405 1.952 1.00 0.00 O ATOM 0 H SER A 41 -1.968 9.640 0.145 1.00 0.00 H new ATOM 0 HA SER A 41 -0.435 10.235 2.425 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.357 9.446 1.967 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.786 10.049 3.510 1.00 0.00 H new ATOM 0 HG SER A 41 -3.593 11.756 2.144 1.00 0.00 H new ATOM 678 N PRO A 42 -0.534 8.373 4.092 1.00 0.00 N ATOM 679 CA PRO A 42 -0.249 7.191 4.899 1.00 0.00 C ATOM 680 C PRO A 42 -1.549 6.534 5.358 1.00 0.00 C ATOM 681 O PRO A 42 -1.690 5.329 5.310 1.00 0.00 O ATOM 682 CB PRO A 42 0.543 7.739 6.076 1.00 0.00 C ATOM 683 CG PRO A 42 0.130 9.176 6.187 1.00 0.00 C ATOM 684 CD PRO A 42 -0.266 9.625 4.800 1.00 0.00 C ATOM 0 HA PRO A 42 0.298 6.420 4.356 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.318 7.192 6.992 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.616 7.649 5.906 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.703 9.286 6.881 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.948 9.785 6.571 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.146 10.268 4.823 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.531 10.193 4.320 1.00 0.00 H new ATOM 692 N THR A 43 -2.511 7.312 5.780 1.00 0.00 N ATOM 693 CA THR A 43 -3.807 6.713 6.212 1.00 0.00 C ATOM 694 C THR A 43 -4.172 5.561 5.270 1.00 0.00 C ATOM 695 O THR A 43 -4.361 4.441 5.702 1.00 0.00 O ATOM 696 CB THR A 43 -4.827 7.856 6.114 1.00 0.00 C ATOM 697 OG1 THR A 43 -4.910 8.521 7.367 1.00 0.00 O ATOM 698 CG2 THR A 43 -6.205 7.294 5.745 1.00 0.00 C ATOM 0 H THR A 43 -2.456 8.329 5.844 1.00 0.00 H new ATOM 0 HA THR A 43 -3.772 6.302 7.221 1.00 0.00 H new ATOM 0 HB THR A 43 -4.507 8.558 5.344 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.559 9.252 7.307 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.924 8.110 5.677 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.144 6.783 4.784 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.527 6.589 6.511 1.00 0.00 H new ATOM 706 N PRO A 44 -4.225 5.872 4.001 1.00 0.00 N ATOM 707 CA PRO A 44 -4.527 4.846 2.984 1.00 0.00 C ATOM 708 C PRO A 44 -3.317 3.938 2.778 1.00 0.00 C ATOM 709 O PRO A 44 -3.430 2.728 2.826 1.00 0.00 O ATOM 710 CB PRO A 44 -4.812 5.654 1.723 1.00 0.00 C ATOM 711 CG PRO A 44 -4.086 6.951 1.921 1.00 0.00 C ATOM 712 CD PRO A 44 -4.022 7.199 3.411 1.00 0.00 C ATOM 0 HA PRO A 44 -5.358 4.199 3.264 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.457 5.135 0.833 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.882 5.817 1.592 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.084 6.901 1.495 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.606 7.765 1.417 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.062 7.623 3.704 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.792 7.901 3.732 1.00 0.00 H new ATOM 720 N CYS A 45 -2.151 4.505 2.561 1.00 0.00 N ATOM 721 CA CYS A 45 -0.941 3.651 2.375 1.00 0.00 C ATOM 722 C CYS A 45 -1.024 2.471 3.321 1.00 0.00 C ATOM 723 O CYS A 45 -0.860 1.330 2.934 1.00 0.00 O ATOM 724 CB CYS A 45 0.247 4.541 2.730 1.00 0.00 C ATOM 725 SG CYS A 45 1.786 3.676 2.329 1.00 0.00 S ATOM 0 H CYS A 45 -1.990 5.511 2.506 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.851 3.262 1.361 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.190 5.480 2.179 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.224 4.792 3.790 1.00 0.00 H new ATOM 0 HG CYS A 45 2.499 3.536 3.407 1.00 0.00 H new ATOM 731 N LEU A 46 -1.348 2.730 4.552 1.00 0.00 N ATOM 732 CA LEU A 46 -1.523 1.626 5.512 1.00 0.00 C ATOM 733 C LEU A 46 -2.686 0.765 5.051 1.00 0.00 C ATOM 734 O LEU A 46 -2.555 -0.423 4.862 1.00 0.00 O ATOM 735 CB LEU A 46 -1.845 2.307 6.834 1.00 0.00 C ATOM 736 CG LEU A 46 -0.640 3.136 7.275 1.00 0.00 C ATOM 737 CD1 LEU A 46 -1.091 4.550 7.646 1.00 0.00 C ATOM 738 CD2 LEU A 46 0.017 2.476 8.487 1.00 0.00 C ATOM 0 H LEU A 46 -1.499 3.665 4.931 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.647 0.983 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.721 2.946 6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.087 1.562 7.592 1.00 0.00 H new ATOM 0 HG LEU A 46 0.077 3.191 6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.228 5.137 7.960 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.556 5.022 6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.811 4.500 8.462 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.877 3.067 8.802 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.702 2.418 9.304 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.346 1.471 8.221 1.00 0.00 H new ATOM 750 N GLU A 47 -3.818 1.369 4.815 1.00 0.00 N ATOM 751 CA GLU A 47 -4.974 0.587 4.310 1.00 0.00 C ATOM 752 C GLU A 47 -4.502 -0.319 3.174 1.00 0.00 C ATOM 753 O GLU A 47 -4.795 -1.499 3.138 1.00 0.00 O ATOM 754 CB GLU A 47 -5.968 1.627 3.796 1.00 0.00 C ATOM 755 CG GLU A 47 -7.252 1.560 4.628 1.00 0.00 C ATOM 756 CD GLU A 47 -8.232 2.629 4.143 1.00 0.00 C ATOM 757 OE1 GLU A 47 -7.784 3.575 3.516 1.00 0.00 O ATOM 758 OE2 GLU A 47 -9.414 2.483 4.406 1.00 0.00 O ATOM 0 H GLU A 47 -3.989 2.365 4.950 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.425 -0.047 5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.533 2.624 3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.193 1.443 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.703 0.572 4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.023 1.714 5.683 1.00 0.00 H new ATOM 765 N ARG A 48 -3.735 0.224 2.265 1.00 0.00 N ATOM 766 CA ARG A 48 -3.199 -0.599 1.148 1.00 0.00 C ATOM 767 C ARG A 48 -2.187 -1.604 1.700 1.00 0.00 C ATOM 768 O ARG A 48 -2.193 -2.772 1.352 1.00 0.00 O ATOM 769 CB ARG A 48 -2.515 0.404 0.212 1.00 0.00 C ATOM 770 CG ARG A 48 -3.469 1.569 -0.065 1.00 0.00 C ATOM 771 CD ARG A 48 -3.993 1.471 -1.497 1.00 0.00 C ATOM 772 NE ARG A 48 -5.457 1.248 -1.354 1.00 0.00 N ATOM 773 CZ ARG A 48 -6.270 1.624 -2.302 1.00 0.00 C ATOM 774 NH1 ARG A 48 -6.019 1.302 -3.542 1.00 0.00 N ATOM 775 NH2 ARG A 48 -7.333 2.323 -2.013 1.00 0.00 N ATOM 0 H ARG A 48 -3.458 1.205 2.251 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.971 -1.168 0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.595 0.772 0.665 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.237 -0.084 -0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.300 1.547 0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.953 2.518 0.080 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.785 2.383 -2.057 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.519 0.651 -2.036 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.825 0.801 -0.514 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.187 0.757 -3.769 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.654 1.596 -4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.529 2.576 -1.045 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.968 2.616 -2.755 1.00 0.00 H new ATOM 789 N VAL A 49 -1.329 -1.161 2.577 1.00 0.00 N ATOM 790 CA VAL A 49 -0.328 -2.082 3.173 1.00 0.00 C ATOM 791 C VAL A 49 -1.041 -3.179 3.968 1.00 0.00 C ATOM 792 O VAL A 49 -0.707 -4.345 3.878 1.00 0.00 O ATOM 793 CB VAL A 49 0.521 -1.194 4.096 1.00 0.00 C ATOM 794 CG1 VAL A 49 0.194 -1.493 5.564 1.00 0.00 C ATOM 795 CG2 VAL A 49 2.000 -1.480 3.841 1.00 0.00 C ATOM 0 H VAL A 49 -1.280 -0.197 2.906 1.00 0.00 H new ATOM 0 HA VAL A 49 0.284 -2.584 2.424 1.00 0.00 H new ATOM 0 HB VAL A 49 0.300 -0.147 3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.802 -0.858 6.209 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.862 -1.294 5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.409 -2.540 5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.609 -0.853 4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.209 -2.530 4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.239 -1.261 2.800 1.00 0.00 H new ATOM 805 N ARG A 50 -2.029 -2.815 4.736 1.00 0.00 N ATOM 806 CA ARG A 50 -2.772 -3.833 5.523 1.00 0.00 C ATOM 807 C ARG A 50 -3.213 -4.960 4.605 1.00 0.00 C ATOM 808 O ARG A 50 -3.027 -6.127 4.896 1.00 0.00 O ATOM 809 CB ARG A 50 -3.981 -3.094 6.094 1.00 0.00 C ATOM 810 CG ARG A 50 -3.508 -1.862 6.872 1.00 0.00 C ATOM 811 CD ARG A 50 -3.474 -2.178 8.367 1.00 0.00 C ATOM 812 NE ARG A 50 -4.805 -2.778 8.665 1.00 0.00 N ATOM 813 CZ ARG A 50 -5.821 -2.006 8.940 1.00 0.00 C ATOM 814 NH1 ARG A 50 -6.006 -1.584 10.160 1.00 0.00 N ATOM 815 NH2 ARG A 50 -6.651 -1.659 7.995 1.00 0.00 N ATOM 0 H ARG A 50 -2.353 -1.855 4.852 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.167 -4.277 6.314 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.650 -2.793 5.288 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.548 -3.755 6.749 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.517 -1.563 6.531 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.177 -1.022 6.683 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.667 -2.870 8.606 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.306 -1.277 8.957 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.922 -3.791 8.654 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.357 -1.857 10.898 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.800 -0.981 10.376 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.506 -1.991 7.042 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.445 -1.056 8.210 1.00 0.00 H new ATOM 829 N ARG A 51 -3.762 -4.622 3.477 1.00 0.00 N ATOM 830 CA ARG A 51 -4.175 -5.675 2.515 1.00 0.00 C ATOM 831 C ARG A 51 -2.968 -6.556 2.199 1.00 0.00 C ATOM 832 O ARG A 51 -3.087 -7.749 2.005 1.00 0.00 O ATOM 833 CB ARG A 51 -4.661 -4.915 1.268 1.00 0.00 C ATOM 834 CG ARG A 51 -3.645 -5.060 0.132 1.00 0.00 C ATOM 835 CD ARG A 51 -3.760 -6.456 -0.485 1.00 0.00 C ATOM 836 NE ARG A 51 -4.780 -6.317 -1.560 1.00 0.00 N ATOM 837 CZ ARG A 51 -5.974 -6.821 -1.397 1.00 0.00 C ATOM 838 NH1 ARG A 51 -6.118 -8.102 -1.199 1.00 0.00 N ATOM 839 NH2 ARG A 51 -7.021 -6.043 -1.430 1.00 0.00 N ATOM 0 H ARG A 51 -3.943 -3.663 3.179 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.959 -6.327 2.900 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.629 -5.302 0.951 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.802 -3.861 1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.824 -4.300 -0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.635 -4.901 0.511 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.804 -6.790 -0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.067 -7.192 0.258 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.547 -5.828 -2.424 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.299 -8.709 -1.172 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.050 -8.497 -1.072 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.907 -5.041 -1.583 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.953 -6.437 -1.303 1.00 0.00 H new ATOM 853 N LEU A 52 -1.798 -5.974 2.171 1.00 0.00 N ATOM 854 CA LEU A 52 -0.575 -6.776 1.901 1.00 0.00 C ATOM 855 C LEU A 52 -0.186 -7.563 3.154 1.00 0.00 C ATOM 856 O LEU A 52 0.546 -8.531 3.092 1.00 0.00 O ATOM 857 CB LEU A 52 0.506 -5.750 1.557 1.00 0.00 C ATOM 858 CG LEU A 52 0.674 -5.676 0.039 1.00 0.00 C ATOM 859 CD1 LEU A 52 1.539 -4.468 -0.321 1.00 0.00 C ATOM 860 CD2 LEU A 52 1.351 -6.955 -0.464 1.00 0.00 C ATOM 0 H LEU A 52 -1.639 -4.978 2.324 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.719 -7.497 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.232 -4.771 1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.450 -6.030 2.025 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.305 -5.575 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.659 -4.416 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.058 -3.557 0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.518 -4.569 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.471 -6.902 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.330 -7.057 0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.735 -7.817 -0.209 1.00 0.00 H new ATOM 872 N GLU A 53 -0.678 -7.154 4.294 1.00 0.00 N ATOM 873 CA GLU A 53 -0.349 -7.875 5.557 1.00 0.00 C ATOM 874 C GLU A 53 -1.039 -9.240 5.581 1.00 0.00 C ATOM 875 O GLU A 53 -0.400 -10.270 5.660 1.00 0.00 O ATOM 876 CB GLU A 53 -0.897 -6.982 6.670 1.00 0.00 C ATOM 877 CG GLU A 53 0.159 -6.819 7.764 1.00 0.00 C ATOM 878 CD GLU A 53 -0.311 -7.524 9.037 1.00 0.00 C ATOM 879 OE1 GLU A 53 -1.512 -7.641 9.217 1.00 0.00 O ATOM 880 OE2 GLU A 53 0.538 -7.936 9.810 1.00 0.00 O ATOM 0 H GLU A 53 -1.295 -6.349 4.404 1.00 0.00 H new ATOM 0 HA GLU A 53 0.720 -8.057 5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.170 -6.007 6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.804 -7.420 7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.109 -7.239 7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.331 -5.761 7.964 1.00 0.00 H new ATOM 887 N ARG A 54 -2.342 -9.254 5.513 1.00 0.00 N ATOM 888 CA ARG A 54 -3.077 -10.551 5.532 1.00 0.00 C ATOM 889 C ARG A 54 -2.547 -11.475 4.434 1.00 0.00 C ATOM 890 O ARG A 54 -2.678 -12.680 4.505 1.00 0.00 O ATOM 891 CB ARG A 54 -4.535 -10.183 5.260 1.00 0.00 C ATOM 892 CG ARG A 54 -5.015 -9.189 6.319 1.00 0.00 C ATOM 893 CD ARG A 54 -6.532 -9.307 6.480 1.00 0.00 C ATOM 894 NE ARG A 54 -6.806 -8.850 7.870 1.00 0.00 N ATOM 895 CZ ARG A 54 -6.937 -7.577 8.124 1.00 0.00 C ATOM 896 NH1 ARG A 54 -7.999 -6.936 7.718 1.00 0.00 N ATOM 897 NH2 ARG A 54 -6.004 -6.943 8.781 1.00 0.00 N ATOM 0 H ARG A 54 -2.930 -8.423 5.445 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.958 -11.079 6.478 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.632 -9.747 4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.157 -11.078 5.277 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.521 -9.388 7.270 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.748 -8.173 6.027 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.056 -8.689 5.751 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.867 -10.333 6.328 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.891 -9.532 8.624 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.727 -7.430 7.202 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.101 -5.941 7.917 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.172 -7.443 9.096 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.107 -5.948 8.979 1.00 0.00 H new ATOM 911 N GLN A 55 -1.947 -10.918 3.418 1.00 0.00 N ATOM 912 CA GLN A 55 -1.408 -11.763 2.317 1.00 0.00 C ATOM 913 C GLN A 55 -0.021 -12.291 2.686 1.00 0.00 C ATOM 914 O GLN A 55 0.690 -12.828 1.860 1.00 0.00 O ATOM 915 CB GLN A 55 -1.323 -10.830 1.110 1.00 0.00 C ATOM 916 CG GLN A 55 -2.712 -10.273 0.798 1.00 0.00 C ATOM 917 CD GLN A 55 -3.512 -11.310 0.009 1.00 0.00 C ATOM 918 OE1 GLN A 55 -3.725 -12.413 0.473 1.00 0.00 O ATOM 919 NE2 GLN A 55 -3.967 -11.001 -1.173 1.00 0.00 N ATOM 0 H GLN A 55 -1.807 -9.914 3.303 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.035 -12.632 2.118 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.630 -10.014 1.316 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.933 -11.369 0.247 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.232 -10.024 1.723 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.625 -9.351 0.223 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.788 -10.075 -1.562 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.502 -11.685 -1.708 1.00 0.00 H new ATOM 928 N GLY A 56 0.369 -12.142 3.921 1.00 0.00 N ATOM 929 CA GLY A 56 1.711 -12.634 4.343 1.00 0.00 C ATOM 930 C GLY A 56 2.794 -11.934 3.522 1.00 0.00 C ATOM 931 O GLY A 56 3.657 -12.567 2.947 1.00 0.00 O ATOM 0 H GLY A 56 -0.183 -11.701 4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.863 -12.441 5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.775 -13.713 4.203 1.00 0.00 H new ATOM 935 N PHE A 57 2.758 -10.631 3.465 1.00 0.00 N ATOM 936 CA PHE A 57 3.789 -9.890 2.680 1.00 0.00 C ATOM 937 C PHE A 57 4.321 -8.705 3.490 1.00 0.00 C ATOM 938 O PHE A 57 5.083 -7.896 2.997 1.00 0.00 O ATOM 939 CB PHE A 57 3.057 -9.398 1.433 1.00 0.00 C ATOM 940 CG PHE A 57 2.847 -10.554 0.486 1.00 0.00 C ATOM 941 CD1 PHE A 57 3.895 -11.446 0.228 1.00 0.00 C ATOM 942 CD2 PHE A 57 1.605 -10.733 -0.133 1.00 0.00 C ATOM 943 CE1 PHE A 57 3.699 -12.519 -0.651 1.00 0.00 C ATOM 944 CE2 PHE A 57 1.409 -11.805 -1.011 1.00 0.00 C ATOM 945 CZ PHE A 57 2.457 -12.698 -1.270 1.00 0.00 C ATOM 0 H PHE A 57 2.061 -10.047 3.927 1.00 0.00 H new ATOM 0 HA PHE A 57 4.646 -10.515 2.431 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.097 -8.961 1.710 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.635 -8.614 0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.853 -11.307 0.706 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.798 -10.044 0.067 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.506 -13.208 -0.851 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.450 -11.944 -1.489 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.306 -13.525 -1.948 1.00 0.00 H new ATOM 955 N ILE A 58 3.927 -8.597 4.725 1.00 0.00 N ATOM 956 CA ILE A 58 4.411 -7.463 5.564 1.00 0.00 C ATOM 957 C ILE A 58 4.778 -7.958 6.962 1.00 0.00 C ATOM 958 O ILE A 58 4.553 -7.288 7.947 1.00 0.00 O ATOM 959 CB ILE A 58 3.244 -6.477 5.625 1.00 0.00 C ATOM 960 CG1 ILE A 58 2.544 -6.426 4.264 1.00 0.00 C ATOM 961 CG2 ILE A 58 3.776 -5.087 5.964 1.00 0.00 C ATOM 962 CD1 ILE A 58 3.489 -5.808 3.231 1.00 0.00 C ATOM 0 H ILE A 58 3.291 -9.243 5.192 1.00 0.00 H new ATOM 0 HA ILE A 58 5.306 -6.999 5.150 1.00 0.00 H new ATOM 0 HB ILE A 58 2.537 -6.800 6.389 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.254 -7.430 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.629 -5.838 4.335 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.947 -4.381 6.008 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.280 -5.116 6.930 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.482 -4.770 5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.993 -5.770 2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.757 -4.798 3.541 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.391 -6.415 3.154 1.00 0.00 H new