USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 851 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 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot -35:sc= 0.279 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl -120:sc= 0 (180deg=-0.0566) USER MOD Single : B 5 LYS NZ :NH3+ -150:sc= 1.15 (180deg=0.533) USER MOD Single : B 9 THR OG1 : rot 170:sc= 0.702 USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 HIS : no HD1:sc=-0.00122 X(o=-0.0012,f=-0.0012) USER MOD Single : B 55 SER OG : rot 84:sc= 0.569 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N ALA A 4 10.281 11.561 3.384 1.00 0.00 N ATOM 88 CA ALA A 4 9.375 11.890 4.485 1.00 0.00 C ATOM 89 C ALA A 4 8.150 12.652 3.946 1.00 0.00 C ATOM 90 O ALA A 4 8.138 13.114 2.796 1.00 0.00 O ATOM 91 CB ALA A 4 10.114 12.723 5.542 1.00 0.00 C ATOM 0 HA ALA A 4 9.029 10.969 4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.432 12.963 6.358 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.958 12.152 5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.478 13.645 5.089 1.00 0.00 H new ATOM 97 N LYS A 5 7.136 12.815 4.799 1.00 0.00 N ATOM 98 CA LYS A 5 5.933 13.618 4.544 1.00 0.00 C ATOM 99 C LYS A 5 5.537 14.427 5.782 1.00 0.00 C ATOM 100 O LYS A 5 5.544 13.899 6.892 1.00 0.00 O ATOM 101 CB LYS A 5 4.788 12.741 4.010 1.00 0.00 C ATOM 102 CG LYS A 5 4.404 11.563 4.927 1.00 0.00 C ATOM 103 CD LYS A 5 3.284 10.698 4.344 1.00 0.00 C ATOM 104 CE LYS A 5 1.933 11.435 4.356 1.00 0.00 C ATOM 105 NZ LYS A 5 0.840 10.573 3.831 1.00 0.00 N1+ ATOM 0 H LYS A 5 7.128 12.377 5.720 1.00 0.00 H new ATOM 0 HA LYS A 5 6.160 14.343 3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.909 13.367 3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.073 12.347 3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.283 10.942 5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.090 11.950 5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.536 10.416 3.322 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.200 9.775 4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.696 11.747 5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.005 12.341 3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.057 11.099 3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.056 10.296 2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.756 9.721 4.421 1.00 0.00 H new ATOM 119 N VAL A 6 5.197 15.700 5.595 1.00 0.00 N ATOM 120 CA VAL A 6 4.780 16.635 6.657 1.00 0.00 C ATOM 121 C VAL A 6 3.258 16.799 6.658 1.00 0.00 C ATOM 122 O VAL A 6 2.644 16.858 5.589 1.00 0.00 O ATOM 123 CB VAL A 6 5.505 17.990 6.509 1.00 0.00 C ATOM 124 CG1 VAL A 6 4.950 19.090 7.426 1.00 0.00 C ATOM 125 CG2 VAL A 6 6.996 17.853 6.812 1.00 0.00 C ATOM 0 H VAL A 6 5.202 16.132 4.671 1.00 0.00 H new ATOM 0 HA VAL A 6 5.067 16.219 7.623 1.00 0.00 H new ATOM 0 HB VAL A 6 5.336 18.282 5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.508 20.013 7.267 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.898 19.258 7.197 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.050 18.781 8.466 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.481 18.823 6.700 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.128 17.497 7.834 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.444 17.141 6.119 1.00 0.00 H new ATOM 135 N VAL A 7 2.653 16.922 7.845 1.00 0.00 N ATOM 136 CA VAL A 7 1.232 17.250 8.046 1.00 0.00 C ATOM 137 C VAL A 7 1.043 18.279 9.162 1.00 0.00 C ATOM 138 O VAL A 7 1.717 18.240 10.197 1.00 0.00 O ATOM 139 CB VAL A 7 0.393 15.969 8.248 1.00 0.00 C ATOM 140 CG1 VAL A 7 0.836 15.128 9.456 1.00 0.00 C ATOM 141 CG2 VAL A 7 -1.098 16.293 8.414 1.00 0.00 C ATOM 0 H VAL A 7 3.154 16.792 8.724 1.00 0.00 H new ATOM 0 HA VAL A 7 0.858 17.725 7.139 1.00 0.00 H new ATOM 0 HB VAL A 7 0.559 15.384 7.343 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.203 14.245 9.536 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.873 14.820 9.324 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.747 15.722 10.365 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.658 15.368 8.554 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.236 16.936 9.283 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.460 16.805 7.523 1.00 0.00 H new ATOM 151 N LEU A 8 0.114 19.214 8.940 1.00 0.00 N ATOM 152 CA LEU A 8 -0.202 20.336 9.834 1.00 0.00 C ATOM 153 C LEU A 8 -1.664 20.784 9.700 1.00 0.00 C ATOM 154 O LEU A 8 -2.330 20.477 8.707 1.00 0.00 O ATOM 155 CB LEU A 8 0.772 21.498 9.550 1.00 0.00 C ATOM 156 CG LEU A 8 0.620 22.191 8.177 1.00 0.00 C ATOM 157 CD1 LEU A 8 -0.314 23.406 8.218 1.00 0.00 C ATOM 158 CD2 LEU A 8 1.985 22.669 7.682 1.00 0.00 C ATOM 0 H LEU A 8 -0.463 19.211 8.099 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.078 20.006 10.865 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.647 22.249 10.330 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.791 21.120 9.633 1.00 0.00 H new ATOM 0 HG LEU A 8 0.187 21.447 7.508 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.379 23.849 7.224 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.306 23.091 8.541 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.079 24.143 8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.871 23.156 6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.404 23.377 8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.655 21.815 7.581 1.00 0.00 H new ATOM 266 N VAL A 16 -2.924 21.022 5.840 1.00 0.00 N ATOM 267 CA VAL A 16 -1.968 20.989 4.714 1.00 0.00 C ATOM 268 C VAL A 16 -1.077 19.746 4.842 1.00 0.00 C ATOM 269 O VAL A 16 -0.670 19.367 5.946 1.00 0.00 O ATOM 270 CB VAL A 16 -1.132 22.286 4.627 1.00 0.00 C ATOM 271 CG1 VAL A 16 -0.173 22.288 3.430 1.00 0.00 C ATOM 272 CG2 VAL A 16 -2.013 23.543 4.519 1.00 0.00 C ATOM 0 HA VAL A 16 -2.529 20.928 3.781 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.561 22.311 5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.390 23.221 3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.518 21.449 3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.744 22.195 2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.379 24.428 4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.630 23.479 3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.655 23.614 5.397 1.00 0.00 H new ATOM 282 N GLU A 17 -0.749 19.122 3.709 1.00 0.00 N ATOM 283 CA GLU A 17 0.138 17.959 3.602 1.00 0.00 C ATOM 284 C GLU A 17 1.194 18.177 2.503 1.00 0.00 C ATOM 285 O GLU A 17 0.895 18.742 1.448 1.00 0.00 O ATOM 286 CB GLU A 17 -0.650 16.662 3.329 1.00 0.00 C ATOM 287 CG GLU A 17 -1.576 16.197 4.469 1.00 0.00 C ATOM 288 CD GLU A 17 -3.013 16.771 4.472 1.00 0.00 C ATOM 289 OE1 GLU A 17 -3.402 17.542 3.562 1.00 0.00 O ATOM 290 OE2 GLU A 17 -3.789 16.400 5.388 1.00 0.00 O1- ATOM 0 H GLU A 17 -1.108 19.424 2.803 1.00 0.00 H new ATOM 0 HA GLU A 17 0.643 17.849 4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.251 16.805 2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.061 15.864 3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.644 15.110 4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.104 16.454 5.417 1.00 0.00 H new ATOM 297 N ILE A 18 2.428 17.707 2.738 1.00 0.00 N ATOM 298 CA ILE A 18 3.578 17.850 1.823 1.00 0.00 C ATOM 299 C ILE A 18 4.315 16.512 1.727 1.00 0.00 C ATOM 300 O ILE A 18 4.760 15.988 2.749 1.00 0.00 O ATOM 301 CB ILE A 18 4.542 18.968 2.305 1.00 0.00 C ATOM 302 CG1 ILE A 18 3.857 20.347 2.452 1.00 0.00 C ATOM 303 CG2 ILE A 18 5.745 19.102 1.348 1.00 0.00 C ATOM 304 CD1 ILE A 18 4.606 21.265 3.420 1.00 0.00 C ATOM 0 H ILE A 18 2.664 17.202 3.593 1.00 0.00 H new ATOM 0 HA ILE A 18 3.210 18.135 0.837 1.00 0.00 H new ATOM 0 HB ILE A 18 4.879 18.662 3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.795 20.826 1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.835 20.207 2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.407 19.891 1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.290 18.158 1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.389 19.352 0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.087 22.221 3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.645 20.800 4.405 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.620 21.429 3.055 1.00 0.00 H new ATOM 316 N GLY A 19 4.455 15.967 0.516 1.00 0.00 N ATOM 317 CA GLY A 19 5.242 14.757 0.227 1.00 0.00 C ATOM 318 C GLY A 19 6.668 15.047 -0.267 1.00 0.00 C ATOM 319 O GLY A 19 7.028 16.195 -0.540 1.00 0.00 O ATOM 0 H GLY A 19 4.014 16.362 -0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.297 14.147 1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.720 14.167 -0.526 1.00 0.00 H new ATOM 323 N ASP A 20 7.482 13.992 -0.414 1.00 0.00 N ATOM 324 CA ASP A 20 8.852 14.046 -0.958 1.00 0.00 C ATOM 325 C ASP A 20 9.782 15.049 -0.232 1.00 0.00 C ATOM 326 O ASP A 20 10.574 15.769 -0.852 1.00 0.00 O ATOM 327 CB ASP A 20 8.833 14.209 -2.492 1.00 0.00 C ATOM 328 CG ASP A 20 7.947 13.183 -3.226 1.00 0.00 C ATOM 329 OD1 ASP A 20 7.358 13.544 -4.275 1.00 0.00 O ATOM 330 OD2 ASP A 20 7.855 12.008 -2.793 1.00 0.00 O1- ATOM 0 H ASP A 20 7.199 13.048 -0.151 1.00 0.00 H new ATOM 0 HA ASP A 20 9.311 13.080 -0.747 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.485 15.213 -2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.853 14.126 -2.868 1.00 0.00 H new ATOM 335 N VAL A 21 9.672 15.103 1.102 1.00 0.00 N ATOM 336 CA VAL A 21 10.397 16.032 1.980 1.00 0.00 C ATOM 337 C VAL A 21 11.848 15.590 2.216 1.00 0.00 C ATOM 338 O VAL A 21 12.099 14.451 2.612 1.00 0.00 O ATOM 339 CB VAL A 21 9.639 16.199 3.308 1.00 0.00 C ATOM 340 CG1 VAL A 21 10.402 17.055 4.321 1.00 0.00 C ATOM 341 CG2 VAL A 21 8.272 16.840 3.055 1.00 0.00 C ATOM 0 H VAL A 21 9.053 14.478 1.619 1.00 0.00 H new ATOM 0 HA VAL A 21 10.446 16.999 1.480 1.00 0.00 H new ATOM 0 HB VAL A 21 9.526 15.200 3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.820 17.139 5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.362 16.588 4.542 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.569 18.049 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.743 16.954 4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.409 17.819 2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.690 16.204 2.388 1.00 0.00 H new ATOM 351 N LEU A 22 12.798 16.505 2.000 1.00 0.00 N ATOM 352 CA LEU A 22 14.220 16.342 2.321 1.00 0.00 C ATOM 353 C LEU A 22 14.580 16.873 3.723 1.00 0.00 C ATOM 354 O LEU A 22 15.475 16.328 4.368 1.00 0.00 O ATOM 355 CB LEU A 22 15.073 17.091 1.276 1.00 0.00 C ATOM 356 CG LEU A 22 15.074 16.475 -0.133 1.00 0.00 C ATOM 357 CD1 LEU A 22 15.822 17.409 -1.093 1.00 0.00 C ATOM 358 CD2 LEU A 22 15.799 15.131 -0.169 1.00 0.00 C ATOM 0 H LEU A 22 12.591 17.412 1.582 1.00 0.00 H new ATOM 0 HA LEU A 22 14.428 15.272 2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 22 14.714 18.118 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 22 16.101 17.137 1.636 1.00 0.00 H new ATOM 0 HG LEU A 22 14.032 16.335 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 22 15.825 16.976 -2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.325 18.379 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 22 16.849 17.537 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.776 14.732 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.834 15.268 0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 22 15.305 14.433 0.507 1.00 0.00 H new ATOM 370 N GLU A 23 13.926 17.940 4.195 1.00 0.00 N ATOM 371 CA GLU A 23 14.332 18.653 5.415 1.00 0.00 C ATOM 372 C GLU A 23 13.174 19.444 6.033 1.00 0.00 C ATOM 373 O GLU A 23 12.322 19.968 5.314 1.00 0.00 O ATOM 374 CB GLU A 23 15.527 19.569 5.080 1.00 0.00 C ATOM 375 CG GLU A 23 15.995 20.499 6.213 1.00 0.00 C ATOM 376 CD GLU A 23 17.297 21.248 5.876 1.00 0.00 C ATOM 377 OE1 GLU A 23 18.006 21.653 6.830 1.00 0.00 O ATOM 378 OE2 GLU A 23 17.628 21.463 4.685 1.00 0.00 O1- ATOM 0 H GLU A 23 13.101 18.335 3.744 1.00 0.00 H new ATOM 0 HA GLU A 23 14.632 17.923 6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.367 18.943 4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.261 20.182 4.219 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.210 21.224 6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.144 19.912 7.119 1.00 0.00 H new ATOM 385 N VAL A 24 13.170 19.555 7.368 1.00 0.00 N ATOM 386 CA VAL A 24 12.207 20.337 8.163 1.00 0.00 C ATOM 387 C VAL A 24 12.939 21.092 9.280 1.00 0.00 C ATOM 388 O VAL A 24 13.833 20.528 9.921 1.00 0.00 O ATOM 389 CB VAL A 24 11.084 19.452 8.744 1.00 0.00 C ATOM 390 CG1 VAL A 24 10.018 20.263 9.483 1.00 0.00 C ATOM 391 CG2 VAL A 24 10.366 18.659 7.648 1.00 0.00 C ATOM 0 H VAL A 24 13.864 19.085 7.949 1.00 0.00 H new ATOM 0 HA VAL A 24 11.732 21.058 7.497 1.00 0.00 H new ATOM 0 HB VAL A 24 11.586 18.781 9.441 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.253 19.590 9.871 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.480 20.803 10.310 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.561 20.975 8.796 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.582 18.048 8.095 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.923 19.349 6.930 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.081 18.015 7.137 1.00 0.00 H new ATOM 401 N ARG A 25 12.556 22.348 9.554 1.00 0.00 N ATOM 402 CA ARG A 25 13.136 23.188 10.623 1.00 0.00 C ATOM 403 C ARG A 25 12.070 23.971 11.392 1.00 0.00 C ATOM 404 O ARG A 25 11.431 24.851 10.816 1.00 0.00 O ATOM 405 CB ARG A 25 14.157 24.180 10.034 1.00 0.00 C ATOM 406 CG ARG A 25 15.314 23.546 9.255 1.00 0.00 C ATOM 407 CD ARG A 25 16.336 24.630 8.894 1.00 0.00 C ATOM 408 NE ARG A 25 17.477 24.076 8.153 1.00 0.00 N ATOM 409 CZ ARG A 25 18.553 24.719 7.749 1.00 0.00 C ATOM 410 NH1 ARG A 25 18.779 25.977 8.010 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 19.433 24.068 7.053 1.00 0.00 N ATOM 0 H ARG A 25 11.820 22.822 9.030 1.00 0.00 H new ATOM 0 HA ARG A 25 13.629 22.509 11.319 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.630 24.868 9.373 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.572 24.775 10.848 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.788 22.768 9.854 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.939 23.068 8.350 1.00 0.00 H new ATOM 0 HD2 ARG A 25 15.852 25.401 8.294 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.693 25.112 9.804 1.00 0.00 H new ATOM 0 HE ARG A 25 17.431 23.083 7.926 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.104 26.514 8.553 1.00 0.00 H new ATOM 0 HH12 ARG A 25 19.631 26.423 7.671 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.282 23.084 6.832 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.276 24.540 6.727 1.00 0.00 H new ATOM 425 N ALA A 26 11.902 23.672 12.679 1.00 0.00 N ATOM 426 CA ALA A 26 11.109 24.437 13.643 1.00 0.00 C ATOM 427 C ALA A 26 11.998 25.483 14.350 1.00 0.00 C ATOM 428 O ALA A 26 12.741 25.156 15.284 1.00 0.00 O ATOM 429 CB ALA A 26 10.473 23.459 14.642 1.00 0.00 C ATOM 0 H ALA A 26 12.336 22.850 13.099 1.00 0.00 H new ATOM 0 HA ALA A 26 10.314 24.982 13.134 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.879 24.015 15.367 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.831 22.759 14.107 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.257 22.908 15.162 1.00 0.00 H new ATOM 464 N ALA A 30 8.388 29.716 13.438 1.00 0.00 N ATOM 465 CA ALA A 30 7.788 29.076 12.262 1.00 0.00 C ATOM 466 C ALA A 30 8.396 27.692 11.975 1.00 0.00 C ATOM 467 O ALA A 30 9.545 27.419 12.332 1.00 0.00 O ATOM 468 CB ALA A 30 7.956 30.016 11.057 1.00 0.00 C ATOM 0 HA ALA A 30 6.730 28.904 12.458 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.515 29.556 10.173 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.456 30.963 11.261 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.017 30.197 10.882 1.00 0.00 H new ATOM 474 N VAL A 31 7.655 26.839 11.260 1.00 0.00 N ATOM 475 CA VAL A 31 8.214 25.625 10.624 1.00 0.00 C ATOM 476 C VAL A 31 8.462 25.867 9.134 1.00 0.00 C ATOM 477 O VAL A 31 7.619 26.443 8.444 1.00 0.00 O ATOM 478 CB VAL A 31 7.361 24.365 10.854 1.00 0.00 C ATOM 479 CG1 VAL A 31 7.975 23.143 10.153 1.00 0.00 C ATOM 480 CG2 VAL A 31 7.306 24.023 12.345 1.00 0.00 C ATOM 0 H VAL A 31 6.655 26.963 11.102 1.00 0.00 H new ATOM 0 HA VAL A 31 9.168 25.427 11.113 1.00 0.00 H new ATOM 0 HB VAL A 31 6.369 24.581 10.456 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.350 22.268 10.333 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.036 23.331 9.081 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.975 22.962 10.547 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.699 23.130 12.491 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.315 23.840 12.714 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.864 24.855 12.893 1.00 0.00 H new ATOM 490 N ARG A 32 9.612 25.415 8.629 1.00 0.00 N ATOM 491 CA ARG A 32 9.988 25.414 7.204 1.00 0.00 C ATOM 492 C ARG A 32 10.168 23.976 6.709 1.00 0.00 C ATOM 493 O ARG A 32 10.563 23.116 7.492 1.00 0.00 O ATOM 494 CB ARG A 32 11.272 26.232 6.998 1.00 0.00 C ATOM 495 CG ARG A 32 11.060 27.724 7.296 1.00 0.00 C ATOM 496 CD ARG A 32 12.398 28.417 7.602 1.00 0.00 C ATOM 497 NE ARG A 32 12.222 29.592 8.482 1.00 0.00 N ATOM 498 CZ ARG A 32 11.920 29.561 9.767 1.00 0.00 C ATOM 499 NH1 ARG A 32 11.682 28.453 10.409 1.00 0.00 N1+ ATOM 500 NH2 ARG A 32 11.831 30.647 10.471 1.00 0.00 N ATOM 0 H ARG A 32 10.342 25.022 9.224 1.00 0.00 H new ATOM 0 HA ARG A 32 9.191 25.877 6.622 1.00 0.00 H new ATOM 0 HB2 ARG A 32 12.058 25.842 7.645 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.616 26.113 5.971 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.583 28.205 6.442 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.385 27.837 8.144 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.075 27.706 8.076 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.867 28.729 6.669 1.00 0.00 H new ATOM 0 HE ARG A 32 12.345 30.511 8.057 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.725 27.560 9.918 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.452 28.478 11.403 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.996 31.553 10.033 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.596 30.594 11.462 1.00 0.00 H new ATOM 514 N VAL A 33 9.913 23.731 5.424 1.00 0.00 N ATOM 515 CA VAL A 33 10.023 22.410 4.764 1.00 0.00 C ATOM 516 C VAL A 33 10.701 22.552 3.402 1.00 0.00 C ATOM 517 O VAL A 33 10.398 23.496 2.668 1.00 0.00 O ATOM 518 CB VAL A 33 8.635 21.747 4.586 1.00 0.00 C ATOM 519 CG1 VAL A 33 8.724 20.309 4.070 1.00 0.00 C ATOM 520 CG2 VAL A 33 7.792 21.741 5.870 1.00 0.00 C ATOM 0 H VAL A 33 9.613 24.466 4.783 1.00 0.00 H new ATOM 0 HA VAL A 33 10.628 21.771 5.407 1.00 0.00 H new ATOM 0 HB VAL A 33 8.143 22.372 3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.720 19.897 3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.223 20.300 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.293 19.704 4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.833 21.262 5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.320 21.191 6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.624 22.766 6.200 1.00 0.00 H new ATOM 530 N THR A 34 11.564 21.601 3.035 1.00 0.00 N ATOM 531 CA THR A 34 12.275 21.548 1.741 1.00 0.00 C ATOM 532 C THR A 34 12.004 20.221 1.024 1.00 0.00 C ATOM 533 O THR A 34 11.899 19.182 1.679 1.00 0.00 O ATOM 534 CB THR A 34 13.790 21.748 1.945 1.00 0.00 C ATOM 535 OG1 THR A 34 14.036 22.939 2.672 1.00 0.00 O ATOM 536 CG2 THR A 34 14.579 21.844 0.634 1.00 0.00 C ATOM 0 H THR A 34 11.799 20.818 3.645 1.00 0.00 H new ATOM 0 HA THR A 34 11.899 22.358 1.116 1.00 0.00 H new ATOM 0 HB THR A 34 14.126 20.864 2.487 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.001 23.053 2.796 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.637 21.984 0.856 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.447 20.926 0.062 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.215 22.690 0.051 1.00 0.00 H new ATOM 544 N THR A 35 11.918 20.230 -0.310 1.00 0.00 N ATOM 545 CA THR A 35 11.596 19.050 -1.146 1.00 0.00 C ATOM 546 C THR A 35 12.588 18.871 -2.302 1.00 0.00 C ATOM 547 O THR A 35 13.332 19.792 -2.650 1.00 0.00 O ATOM 548 CB THR A 35 10.162 19.122 -1.704 1.00 0.00 C ATOM 549 OG1 THR A 35 10.049 20.201 -2.610 1.00 0.00 O ATOM 550 CG2 THR A 35 9.091 19.273 -0.622 1.00 0.00 C ATOM 0 H THR A 35 12.073 21.075 -0.860 1.00 0.00 H new ATOM 0 HA THR A 35 11.676 18.184 -0.489 1.00 0.00 H new ATOM 0 HB THR A 35 9.986 18.170 -2.204 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.135 20.239 -2.961 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.107 19.317 -1.088 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.134 18.419 0.054 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.268 20.190 -0.060 1.00 0.00 H new ATOM 558 N LEU A 36 12.601 17.677 -2.915 1.00 0.00 N ATOM 559 CA LEU A 36 13.507 17.337 -4.035 1.00 0.00 C ATOM 560 C LEU A 36 13.252 18.106 -5.352 1.00 0.00 C ATOM 561 O LEU A 36 14.047 17.997 -6.287 1.00 0.00 O ATOM 562 CB LEU A 36 13.564 15.809 -4.246 1.00 0.00 C ATOM 563 CG LEU A 36 12.229 15.052 -4.375 1.00 0.00 C ATOM 564 CD1 LEU A 36 11.297 15.580 -5.465 1.00 0.00 C ATOM 565 CD2 LEU A 36 12.506 13.579 -4.689 1.00 0.00 C ATOM 0 H LEU A 36 11.981 16.912 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 36 14.492 17.687 -3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.147 15.617 -5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 36 14.115 15.376 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 36 11.727 15.195 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.383 14.986 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.049 16.621 -5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.793 15.510 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.562 13.043 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.058 13.504 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.096 13.140 -3.884 1.00 0.00 H new ATOM 577 N PHE A 37 12.190 18.913 -5.425 1.00 0.00 N ATOM 578 CA PHE A 37 11.932 19.856 -6.520 1.00 0.00 C ATOM 579 C PHE A 37 12.774 21.146 -6.425 1.00 0.00 C ATOM 580 O PHE A 37 12.627 22.046 -7.254 1.00 0.00 O ATOM 581 CB PHE A 37 10.428 20.166 -6.556 1.00 0.00 C ATOM 582 CG PHE A 37 9.536 18.932 -6.613 1.00 0.00 C ATOM 583 CD1 PHE A 37 9.557 18.109 -7.756 1.00 0.00 C ATOM 584 CD2 PHE A 37 8.714 18.588 -5.521 1.00 0.00 C ATOM 585 CE1 PHE A 37 8.761 16.948 -7.806 1.00 0.00 C ATOM 586 CE2 PHE A 37 7.919 17.429 -5.570 1.00 0.00 C ATOM 587 CZ PHE A 37 7.945 16.606 -6.713 1.00 0.00 C ATOM 0 H PHE A 37 11.466 18.930 -4.706 1.00 0.00 H new ATOM 0 HA PHE A 37 12.239 19.385 -7.454 1.00 0.00 H new ATOM 0 HB2 PHE A 37 10.167 20.748 -5.672 1.00 0.00 H new ATOM 0 HB3 PHE A 37 10.218 20.792 -7.423 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.185 18.369 -8.596 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.695 19.217 -4.643 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.777 16.320 -8.684 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.289 17.170 -4.732 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.339 15.713 -6.750 1.00 0.00 H new ATOM 597 N ASP A 38 13.631 21.257 -5.399 1.00 0.00 N ATOM 598 CA ASP A 38 14.284 22.494 -4.925 1.00 0.00 C ATOM 599 C ASP A 38 13.296 23.583 -4.444 1.00 0.00 C ATOM 600 O ASP A 38 13.670 24.740 -4.238 1.00 0.00 O ATOM 601 CB ASP A 38 15.347 23.021 -5.918 1.00 0.00 C ATOM 602 CG ASP A 38 16.398 21.985 -6.356 1.00 0.00 C ATOM 603 OD1 ASP A 38 16.740 21.070 -5.565 1.00 0.00 O ATOM 604 OD2 ASP A 38 16.932 22.116 -7.483 1.00 0.00 O1- ATOM 0 H ASP A 38 13.904 20.445 -4.846 1.00 0.00 H new ATOM 0 HA ASP A 38 14.828 22.208 -4.025 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.838 23.398 -6.805 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.861 23.867 -5.462 1.00 0.00 H new ATOM 609 N GLU A 39 12.025 23.215 -4.246 1.00 0.00 N ATOM 610 CA GLU A 39 10.991 24.067 -3.649 1.00 0.00 C ATOM 611 C GLU A 39 11.023 24.032 -2.113 1.00 0.00 C ATOM 612 O GLU A 39 11.463 23.064 -1.487 1.00 0.00 O ATOM 613 CB GLU A 39 9.597 23.672 -4.154 1.00 0.00 C ATOM 614 CG GLU A 39 9.361 24.032 -5.627 1.00 0.00 C ATOM 615 CD GLU A 39 9.467 25.543 -5.946 1.00 0.00 C ATOM 616 OE1 GLU A 39 9.254 26.392 -5.046 1.00 0.00 O ATOM 617 OE2 GLU A 39 9.742 25.902 -7.119 1.00 0.00 O1- ATOM 0 H GLU A 39 11.678 22.291 -4.504 1.00 0.00 H new ATOM 0 HA GLU A 39 11.208 25.089 -3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.461 22.598 -4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.843 24.165 -3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.084 23.493 -6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.371 23.681 -5.919 1.00 0.00 H new ATOM 624 N GLU A 40 10.506 25.105 -1.523 1.00 0.00 N ATOM 625 CA GLU A 40 10.440 25.338 -0.076 1.00 0.00 C ATOM 626 C GLU A 40 9.089 25.911 0.361 1.00 0.00 C ATOM 627 O GLU A 40 8.439 26.656 -0.378 1.00 0.00 O ATOM 628 CB GLU A 40 11.578 26.263 0.400 1.00 0.00 C ATOM 629 CG GLU A 40 12.972 25.647 0.215 1.00 0.00 C ATOM 630 CD GLU A 40 14.109 26.578 0.682 1.00 0.00 C ATOM 631 OE1 GLU A 40 15.225 26.498 0.104 1.00 0.00 O ATOM 632 OE2 GLU A 40 13.923 27.388 1.620 1.00 0.00 O1- ATOM 0 H GLU A 40 10.103 25.873 -2.060 1.00 0.00 H new ATOM 0 HA GLU A 40 10.559 24.362 0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.527 27.203 -0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.429 26.500 1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 40 13.026 24.710 0.770 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.119 25.403 -0.837 1.00 0.00 H new ATOM 639 N HIS A 41 8.698 25.596 1.597 1.00 0.00 N ATOM 640 CA HIS A 41 7.443 26.011 2.236 1.00 0.00 C ATOM 641 C HIS A 41 7.707 26.558 3.644 1.00 0.00 C ATOM 642 O HIS A 41 8.690 26.166 4.283 1.00 0.00 O ATOM 643 CB HIS A 41 6.465 24.822 2.284 1.00 0.00 C ATOM 644 CG HIS A 41 6.259 24.120 0.965 1.00 0.00 C ATOM 645 ND1 HIS A 41 5.424 24.551 -0.069 1.00 0.00 N ATOM 646 CD2 HIS A 41 6.876 22.962 0.580 1.00 0.00 C ATOM 647 CE1 HIS A 41 5.554 23.644 -1.052 1.00 0.00 C ATOM 648 NE2 HIS A 41 6.421 22.681 -0.691 1.00 0.00 N ATOM 0 H HIS A 41 9.273 25.018 2.210 1.00 0.00 H new ATOM 0 HA HIS A 41 6.994 26.811 1.647 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.831 24.098 3.012 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.500 25.178 2.645 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.581 22.382 1.157 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.035 23.683 -1.999 1.00 0.00 H new ATOM 0 HE2 HIS A 41 6.695 21.880 -1.260 1.00 0.00 H new ATOM 656 N ALA A 42 6.832 27.436 4.149 1.00 0.00 N ATOM 657 CA ALA A 42 6.953 28.045 5.483 1.00 0.00 C ATOM 658 C ALA A 42 5.584 28.301 6.151 1.00 0.00 C ATOM 659 O ALA A 42 4.629 28.726 5.494 1.00 0.00 O ATOM 660 CB ALA A 42 7.767 29.343 5.370 1.00 0.00 C ATOM 0 H ALA A 42 6.008 27.749 3.637 1.00 0.00 H new ATOM 0 HA ALA A 42 7.472 27.339 6.131 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.861 29.800 6.355 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.759 29.117 4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.259 30.033 4.696 1.00 0.00 H new ATOM 666 N PHE A 43 5.510 28.049 7.463 1.00 0.00 N ATOM 667 CA PHE A 43 4.277 28.040 8.259 1.00 0.00 C ATOM 668 C PHE A 43 4.511 28.661 9.656 1.00 0.00 C ATOM 669 O PHE A 43 4.989 27.973 10.570 1.00 0.00 O ATOM 670 CB PHE A 43 3.755 26.599 8.367 1.00 0.00 C ATOM 671 CG PHE A 43 3.514 25.913 7.036 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.506 25.076 6.485 1.00 0.00 C ATOM 673 CD2 PHE A 43 2.315 26.146 6.333 1.00 0.00 C ATOM 674 CE1 PHE A 43 4.302 24.494 5.225 1.00 0.00 C ATOM 675 CE2 PHE A 43 2.113 25.556 5.074 1.00 0.00 C ATOM 676 CZ PHE A 43 3.111 24.735 4.512 1.00 0.00 C ATOM 0 H PHE A 43 6.338 27.838 8.020 1.00 0.00 H new ATOM 0 HA PHE A 43 3.525 28.652 7.761 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.470 26.009 8.940 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.823 26.606 8.931 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.418 24.884 7.030 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.552 26.778 6.762 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.063 23.857 4.799 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.193 25.732 4.537 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.963 24.292 3.538 1.00 0.00 H new ATOM 686 N PRO A 44 4.218 29.964 9.845 1.00 0.00 N ATOM 687 CA PRO A 44 4.310 30.642 11.140 1.00 0.00 C ATOM 688 C PRO A 44 3.394 30.033 12.219 1.00 0.00 C ATOM 689 O PRO A 44 2.302 29.533 11.928 1.00 0.00 O ATOM 690 CB PRO A 44 3.986 32.115 10.872 1.00 0.00 C ATOM 691 CG PRO A 44 4.332 32.288 9.393 1.00 0.00 C ATOM 692 CD PRO A 44 3.934 30.938 8.798 1.00 0.00 C ATOM 0 HA PRO A 44 5.311 30.523 11.554 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.937 32.338 11.069 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.577 32.778 11.504 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.777 33.110 8.940 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.391 32.499 9.246 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.880 30.924 8.522 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.503 30.722 7.894 1.00 0.00 H new ATOM 700 N GLY A 45 3.828 30.118 13.478 1.00 0.00 N ATOM 701 CA GLY A 45 3.070 29.681 14.658 1.00 0.00 C ATOM 702 C GLY A 45 3.110 28.175 14.940 1.00 0.00 C ATOM 703 O GLY A 45 2.365 27.703 15.802 1.00 0.00 O ATOM 0 H GLY A 45 4.742 30.503 13.714 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.453 30.208 15.532 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.030 29.984 14.534 1.00 0.00 H new ATOM 707 N LEU A 46 3.963 27.414 14.245 1.00 0.00 N ATOM 708 CA LEU A 46 4.118 25.959 14.409 1.00 0.00 C ATOM 709 C LEU A 46 5.466 25.543 15.022 1.00 0.00 C ATOM 710 O LEU A 46 6.453 26.283 14.974 1.00 0.00 O ATOM 711 CB LEU A 46 3.893 25.241 13.064 1.00 0.00 C ATOM 712 CG LEU A 46 2.519 25.444 12.396 1.00 0.00 C ATOM 713 CD1 LEU A 46 2.455 24.552 11.155 1.00 0.00 C ATOM 714 CD2 LEU A 46 1.349 25.060 13.299 1.00 0.00 C ATOM 0 H LEU A 46 4.583 27.801 13.533 1.00 0.00 H new ATOM 0 HA LEU A 46 3.355 25.652 15.124 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.663 25.573 12.367 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.042 24.172 13.219 1.00 0.00 H new ATOM 0 HG LEU A 46 2.427 26.505 12.162 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.490 24.679 10.665 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.252 24.831 10.465 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.578 23.510 11.449 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.411 25.226 12.770 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.430 24.008 13.572 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.370 25.671 14.201 1.00 0.00 H new ATOM 726 N ALA A 47 5.500 24.307 15.528 1.00 0.00 N ATOM 727 CA ALA A 47 6.681 23.527 15.898 1.00 0.00 C ATOM 728 C ALA A 47 6.442 22.024 15.629 1.00 0.00 C ATOM 729 O ALA A 47 5.299 21.595 15.460 1.00 0.00 O ATOM 730 CB ALA A 47 7.021 23.800 17.369 1.00 0.00 C ATOM 0 H ALA A 47 4.639 23.789 15.702 1.00 0.00 H new ATOM 0 HA ALA A 47 7.532 23.827 15.287 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.901 23.222 17.652 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.226 24.862 17.504 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.179 23.510 17.997 1.00 0.00 H new ATOM 736 N ILE A 48 7.502 21.208 15.577 1.00 0.00 N ATOM 737 CA ILE A 48 7.382 19.753 15.382 1.00 0.00 C ATOM 738 C ILE A 48 6.885 19.087 16.676 1.00 0.00 C ATOM 739 O ILE A 48 7.504 19.226 17.737 1.00 0.00 O ATOM 740 CB ILE A 48 8.716 19.138 14.898 1.00 0.00 C ATOM 741 CG1 ILE A 48 9.181 19.729 13.543 1.00 0.00 C ATOM 742 CG2 ILE A 48 8.600 17.609 14.757 1.00 0.00 C ATOM 743 CD1 ILE A 48 10.707 19.688 13.390 1.00 0.00 C ATOM 0 H ILE A 48 8.464 21.533 15.668 1.00 0.00 H new ATOM 0 HA ILE A 48 6.647 19.567 14.599 1.00 0.00 H new ATOM 0 HB ILE A 48 9.458 19.387 15.657 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.720 19.172 12.727 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.836 20.760 13.460 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.552 17.202 14.415 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.344 17.173 15.723 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.822 17.368 14.033 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.988 20.112 12.426 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.169 20.268 14.190 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.051 18.655 13.446 1.00 0.00 H new ATOM 755 N GLY A 49 5.771 18.355 16.586 1.00 0.00 N ATOM 756 CA GLY A 49 5.175 17.601 17.699 1.00 0.00 C ATOM 757 C GLY A 49 5.730 16.184 17.835 1.00 0.00 C ATOM 758 O GLY A 49 6.089 15.761 18.937 1.00 0.00 O ATOM 0 H GLY A 49 5.244 18.266 15.717 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.348 18.142 18.629 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.096 17.549 17.557 1.00 0.00 H new ATOM 762 N ARG A 50 5.850 15.457 16.714 1.00 0.00 N ATOM 763 CA ARG A 50 6.489 14.131 16.638 1.00 0.00 C ATOM 764 C ARG A 50 7.003 13.791 15.239 1.00 0.00 C ATOM 765 O ARG A 50 6.561 14.373 14.247 1.00 0.00 O ATOM 766 CB ARG A 50 5.545 13.026 17.166 1.00 0.00 C ATOM 767 CG ARG A 50 4.299 12.731 16.318 1.00 0.00 C ATOM 768 CD ARG A 50 3.700 11.390 16.765 1.00 0.00 C ATOM 769 NE ARG A 50 2.575 10.978 15.907 1.00 0.00 N ATOM 770 CZ ARG A 50 2.239 9.739 15.586 1.00 0.00 C ATOM 771 NH1 ARG A 50 2.873 8.691 16.031 1.00 0.00 N1+ ATOM 772 NH2 ARG A 50 1.226 9.527 14.792 1.00 0.00 N ATOM 0 H ARG A 50 5.498 15.781 15.813 1.00 0.00 H new ATOM 0 HA ARG A 50 7.365 14.177 17.284 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.118 12.104 17.263 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.218 13.305 18.168 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.566 13.529 16.435 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.563 12.693 15.261 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.473 10.622 16.744 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.359 11.471 17.797 1.00 0.00 H new ATOM 0 HE ARG A 50 1.996 11.724 15.521 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.669 8.805 16.658 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.573 7.757 15.752 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.696 10.315 14.421 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.964 8.573 14.543 1.00 0.00 H new ATOM 786 N VAL A 51 7.887 12.799 15.170 1.00 0.00 N ATOM 787 CA VAL A 51 8.361 12.179 13.919 1.00 0.00 C ATOM 788 C VAL A 51 8.298 10.658 14.058 1.00 0.00 C ATOM 789 O VAL A 51 8.890 10.097 14.978 1.00 0.00 O ATOM 790 CB VAL A 51 9.778 12.640 13.519 1.00 0.00 C ATOM 791 CG1 VAL A 51 10.140 12.118 12.124 1.00 0.00 C ATOM 792 CG2 VAL A 51 9.943 14.166 13.554 1.00 0.00 C ATOM 0 H VAL A 51 8.310 12.387 16.002 1.00 0.00 H new ATOM 0 HA VAL A 51 7.703 12.505 13.114 1.00 0.00 H new ATOM 0 HB VAL A 51 10.457 12.221 14.261 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.143 12.453 11.859 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.110 11.028 12.124 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.425 12.501 11.396 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.960 14.429 13.263 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.238 14.624 12.861 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.749 14.530 14.563 1.00 0.00 H new ATOM 802 N ASP A 52 7.592 10.001 13.139 1.00 0.00 N ATOM 803 CA ASP A 52 7.355 8.553 13.108 1.00 0.00 C ATOM 804 C ASP A 52 8.125 7.908 11.942 1.00 0.00 C ATOM 805 O ASP A 52 7.636 7.837 10.808 1.00 0.00 O ATOM 806 CB ASP A 52 5.832 8.324 13.015 1.00 0.00 C ATOM 807 CG ASP A 52 5.443 6.842 13.001 1.00 0.00 C ATOM 808 OD1 ASP A 52 4.300 6.521 12.604 1.00 0.00 O ATOM 809 OD2 ASP A 52 6.252 5.992 13.444 1.00 0.00 O1- ATOM 0 H ASP A 52 7.148 10.484 12.358 1.00 0.00 H new ATOM 0 HA ASP A 52 7.725 8.076 14.015 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.346 8.812 13.859 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.454 8.800 12.110 1.00 0.00 H new ATOM 814 N LEU A 53 9.358 7.461 12.208 1.00 0.00 N ATOM 815 CA LEU A 53 10.308 6.976 11.198 1.00 0.00 C ATOM 816 C LEU A 53 9.876 5.655 10.538 1.00 0.00 C ATOM 817 O LEU A 53 10.368 5.324 9.458 1.00 0.00 O ATOM 818 CB LEU A 53 11.718 6.831 11.811 1.00 0.00 C ATOM 819 CG LEU A 53 12.453 8.099 12.291 1.00 0.00 C ATOM 820 CD1 LEU A 53 12.546 9.150 11.184 1.00 0.00 C ATOM 821 CD2 LEU A 53 11.876 8.726 13.556 1.00 0.00 C ATOM 0 H LEU A 53 9.733 7.425 13.156 1.00 0.00 H new ATOM 0 HA LEU A 53 10.325 7.726 10.408 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.640 6.153 12.661 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.351 6.343 11.070 1.00 0.00 H new ATOM 0 HG LEU A 53 13.453 7.751 12.550 1.00 0.00 H new ATOM 0 HD11 LEU A 53 13.070 10.029 11.560 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.092 8.737 10.335 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.543 9.434 10.867 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.455 9.611 13.820 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.838 9.010 13.381 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.922 8.006 14.373 1.00 0.00 H new ATOM 833 N ARG A 54 8.926 4.926 11.138 1.00 0.00 N ATOM 834 CA ARG A 54 8.320 3.713 10.546 1.00 0.00 C ATOM 835 C ARG A 54 7.590 3.989 9.224 1.00 0.00 C ATOM 836 O ARG A 54 7.516 3.096 8.384 1.00 0.00 O ATOM 837 CB ARG A 54 7.367 3.070 11.563 1.00 0.00 C ATOM 838 CG ARG A 54 8.126 2.472 12.767 1.00 0.00 C ATOM 839 CD ARG A 54 7.208 2.146 13.949 1.00 0.00 C ATOM 840 NE ARG A 54 6.611 3.377 14.493 1.00 0.00 N ATOM 841 CZ ARG A 54 6.253 3.655 15.728 1.00 0.00 C ATOM 842 NH1 ARG A 54 6.334 2.819 16.725 1.00 0.00 N1+ ATOM 843 NH2 ARG A 54 5.792 4.843 15.956 1.00 0.00 N ATOM 0 H ARG A 54 8.549 5.159 12.057 1.00 0.00 H new ATOM 0 HA ARG A 54 9.132 3.026 10.308 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.656 3.817 11.917 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.789 2.287 11.073 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.640 1.564 12.451 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.893 3.175 13.092 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.421 1.464 13.628 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.775 1.635 14.727 1.00 0.00 H new ATOM 0 HE ARG A 54 6.452 4.122 13.814 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.695 1.877 16.573 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.037 3.107 17.657 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.719 5.517 15.194 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.501 5.105 16.898 1.00 0.00 H new ATOM 857 N SER A 55 7.098 5.218 9.025 1.00 0.00 N ATOM 858 CA SER A 55 6.388 5.655 7.805 1.00 0.00 C ATOM 859 C SER A 55 6.863 7.027 7.273 1.00 0.00 C ATOM 860 O SER A 55 6.311 7.547 6.303 1.00 0.00 O ATOM 861 CB SER A 55 4.878 5.615 8.081 1.00 0.00 C ATOM 862 OG SER A 55 4.122 5.732 6.884 1.00 0.00 O ATOM 0 H SER A 55 7.182 5.958 9.722 1.00 0.00 H new ATOM 0 HA SER A 55 6.627 4.964 6.997 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.624 4.681 8.582 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.611 6.424 8.761 1.00 0.00 H new ATOM 0 HG SER A 55 4.581 6.337 6.265 1.00 0.00 H new ATOM 868 N GLY A 56 7.893 7.628 7.883 1.00 0.00 N ATOM 869 CA GLY A 56 8.437 8.942 7.511 1.00 0.00 C ATOM 870 C GLY A 56 7.512 10.137 7.802 1.00 0.00 C ATOM 871 O GLY A 56 7.693 11.204 7.210 1.00 0.00 O ATOM 0 H GLY A 56 8.384 7.203 8.670 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.377 9.092 8.042 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.670 8.933 6.446 1.00 0.00 H new ATOM 875 N VAL A 57 6.506 9.977 8.666 1.00 0.00 N ATOM 876 CA VAL A 57 5.509 11.028 8.960 1.00 0.00 C ATOM 877 C VAL A 57 6.054 12.034 9.979 1.00 0.00 C ATOM 878 O VAL A 57 6.429 11.655 11.090 1.00 0.00 O ATOM 879 CB VAL A 57 4.164 10.433 9.425 1.00 0.00 C ATOM 880 CG1 VAL A 57 3.150 11.521 9.805 1.00 0.00 C ATOM 881 CG2 VAL A 57 3.538 9.569 8.324 1.00 0.00 C ATOM 0 H VAL A 57 6.353 9.114 9.187 1.00 0.00 H new ATOM 0 HA VAL A 57 5.317 11.562 8.029 1.00 0.00 H new ATOM 0 HB VAL A 57 4.388 9.829 10.304 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.219 11.054 10.126 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.552 12.125 10.618 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.958 12.157 8.941 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.591 9.161 8.676 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.363 10.179 7.438 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.215 8.752 8.074 1.00 0.00 H new ATOM 891 N ILE A 58 6.054 13.315 9.616 1.00 0.00 N ATOM 892 CA ILE A 58 6.401 14.465 10.463 1.00 0.00 C ATOM 893 C ILE A 58 5.110 15.224 10.814 1.00 0.00 C ATOM 894 O ILE A 58 4.433 15.759 9.934 1.00 0.00 O ATOM 895 CB ILE A 58 7.444 15.345 9.736 1.00 0.00 C ATOM 896 CG1 ILE A 58 8.791 14.600 9.582 1.00 0.00 C ATOM 897 CG2 ILE A 58 7.653 16.684 10.466 1.00 0.00 C ATOM 898 CD1 ILE A 58 9.789 15.271 8.634 1.00 0.00 C ATOM 0 H ILE A 58 5.798 13.599 8.670 1.00 0.00 H new ATOM 0 HA ILE A 58 6.859 14.145 11.399 1.00 0.00 H new ATOM 0 HB ILE A 58 7.053 15.558 8.741 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.252 14.505 10.565 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.593 13.590 9.223 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.392 17.279 9.930 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.709 17.228 10.506 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.006 16.495 11.480 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.703 14.679 8.589 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.353 15.342 7.638 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.023 16.271 9.000 1.00 0.00 H new ATOM 910 N SER A 59 4.750 15.262 12.097 1.00 0.00 N ATOM 911 CA SER A 59 3.536 15.911 12.597 1.00 0.00 C ATOM 912 C SER A 59 3.854 17.250 13.261 1.00 0.00 C ATOM 913 O SER A 59 4.684 17.305 14.172 1.00 0.00 O ATOM 914 CB SER A 59 2.818 14.983 13.586 1.00 0.00 C ATOM 915 OG SER A 59 1.592 15.555 14.005 1.00 0.00 O ATOM 0 H SER A 59 5.307 14.832 12.836 1.00 0.00 H new ATOM 0 HA SER A 59 2.881 16.108 11.748 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.633 14.016 13.118 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.456 14.801 14.451 1.00 0.00 H new ATOM 0 HG SER A 59 1.147 14.950 14.634 1.00 0.00 H new ATOM 921 N LEU A 60 3.211 18.332 12.818 1.00 0.00 N ATOM 922 CA LEU A 60 3.371 19.678 13.375 1.00 0.00 C ATOM 923 C LEU A 60 2.198 20.071 14.290 1.00 0.00 C ATOM 924 O LEU A 60 1.047 19.678 14.070 1.00 0.00 O ATOM 925 CB LEU A 60 3.565 20.710 12.249 1.00 0.00 C ATOM 926 CG LEU A 60 4.632 20.373 11.193 1.00 0.00 C ATOM 927 CD1 LEU A 60 4.797 21.562 10.247 1.00 0.00 C ATOM 928 CD2 LEU A 60 6.000 20.054 11.796 1.00 0.00 C ATOM 0 H LEU A 60 2.548 18.296 12.043 1.00 0.00 H new ATOM 0 HA LEU A 60 4.267 19.669 13.996 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.611 20.845 11.740 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.823 21.667 12.703 1.00 0.00 H new ATOM 0 HG LEU A 60 4.282 19.482 10.671 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.552 21.328 9.497 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.847 21.769 9.754 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.109 22.438 10.815 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.705 19.825 10.997 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.358 20.915 12.361 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.913 19.194 12.460 1.00 0.00 H new ATOM 940 N ILE A 61 2.500 20.890 15.301 1.00 0.00 N ATOM 941 CA ILE A 61 1.578 21.408 16.326 1.00 0.00 C ATOM 942 C ILE A 61 1.784 22.918 16.521 1.00 0.00 C ATOM 943 O ILE A 61 2.814 23.460 16.121 1.00 0.00 O ATOM 944 CB ILE A 61 1.711 20.603 17.653 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.129 20.556 18.277 1.00 0.00 C ATOM 946 CG2 ILE A 61 1.208 19.167 17.448 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.556 21.811 19.049 1.00 0.00 C ATOM 0 H ILE A 61 3.451 21.232 15.438 1.00 0.00 H new ATOM 0 HA ILE A 61 0.553 21.269 15.983 1.00 0.00 H new ATOM 0 HB ILE A 61 1.097 21.152 18.366 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.181 19.701 18.951 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.851 20.378 17.480 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.305 18.611 18.381 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.161 19.188 17.145 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.801 18.681 16.673 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.563 21.671 19.443 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.545 22.671 18.380 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.864 21.984 19.874 1.00 0.00 H new ATOM 959 N GLU A 62 0.819 23.614 17.123 1.00 0.00 N ATOM 960 CA GLU A 62 0.938 25.051 17.423 1.00 0.00 C ATOM 961 C GLU A 62 1.977 25.313 18.528 1.00 0.00 C ATOM 962 O GLU A 62 1.918 24.726 19.611 1.00 0.00 O ATOM 963 CB GLU A 62 -0.428 25.646 17.808 1.00 0.00 C ATOM 964 CG GLU A 62 -1.421 25.628 16.637 1.00 0.00 C ATOM 965 CD GLU A 62 -2.755 26.319 16.986 1.00 0.00 C ATOM 966 OE1 GLU A 62 -3.219 27.187 16.206 1.00 0.00 O ATOM 967 OE2 GLU A 62 -3.372 25.992 18.032 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.067 23.204 17.418 1.00 0.00 H new ATOM 0 HA GLU A 62 1.286 25.547 16.517 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.845 25.084 18.644 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.292 26.672 18.151 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.972 26.124 15.776 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.615 24.596 16.345 1.00 0.00 H new ATOM 974 N GLU A 63 2.923 26.225 18.280 1.00 0.00 N ATOM 975 CA GLU A 63 4.049 26.516 19.189 1.00 0.00 C ATOM 976 C GLU A 63 3.631 27.248 20.481 1.00 0.00 C ATOM 977 O GLU A 63 4.375 27.243 21.466 1.00 0.00 O ATOM 978 CB GLU A 63 5.165 27.246 18.419 1.00 0.00 C ATOM 979 CG GLU A 63 4.845 28.691 17.988 1.00 0.00 C ATOM 980 CD GLU A 63 5.373 29.791 18.939 1.00 0.00 C ATOM 981 OE1 GLU A 63 4.704 30.848 19.053 1.00 0.00 O ATOM 982 OE2 GLU A 63 6.478 29.659 19.522 1.00 0.00 O1- ATOM 0 H GLU A 63 2.933 26.792 17.432 1.00 0.00 H new ATOM 0 HA GLU A 63 4.441 25.562 19.542 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.060 27.262 19.041 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.406 26.666 17.528 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.263 28.859 16.996 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.764 28.797 17.900 1.00 0.00 H new ATOM 1115 N MET B 3 14.849 4.228 9.739 1.00 0.00 N ATOM 1116 CA MET B 3 15.164 4.845 11.034 1.00 0.00 C ATOM 1117 C MET B 3 16.228 5.948 10.942 1.00 0.00 C ATOM 1118 O MET B 3 17.126 5.905 10.097 1.00 0.00 O ATOM 1119 CB MET B 3 15.618 3.769 12.030 1.00 0.00 C ATOM 1120 CG MET B 3 14.460 2.838 12.406 1.00 0.00 C ATOM 1121 SD MET B 3 14.960 1.327 13.276 1.00 0.00 S ATOM 1122 CE MET B 3 15.597 0.388 11.871 1.00 0.00 C ATOM 0 HA MET B 3 14.247 5.322 11.381 1.00 0.00 H new ATOM 0 HB2 MET B 3 16.430 3.186 11.595 1.00 0.00 H new ATOM 0 HB3 MET B 3 16.012 4.244 12.928 1.00 0.00 H new ATOM 0 HG2 MET B 3 13.758 3.387 13.033 1.00 0.00 H new ATOM 0 HG3 MET B 3 13.925 2.559 11.498 1.00 0.00 H new ATOM 0 HE1 MET B 3 15.031 -0.538 11.765 1.00 0.00 H new ATOM 0 HE2 MET B 3 15.496 0.981 10.962 1.00 0.00 H new ATOM 0 HE3 MET B 3 16.649 0.154 12.037 1.00 0.00 H new ATOM 1132 N ALA B 4 16.127 6.917 11.857 1.00 0.00 N ATOM 1133 CA ALA B 4 17.052 8.046 11.992 1.00 0.00 C ATOM 1134 C ALA B 4 18.048 7.850 13.157 1.00 0.00 C ATOM 1135 O ALA B 4 17.983 6.864 13.899 1.00 0.00 O ATOM 1136 CB ALA B 4 16.194 9.316 12.147 1.00 0.00 C ATOM 0 H ALA B 4 15.375 6.938 12.546 1.00 0.00 H new ATOM 0 HA ALA B 4 17.683 8.130 11.107 1.00 0.00 H new ATOM 0 HB1 ALA B 4 16.845 10.184 12.251 1.00 0.00 H new ATOM 0 HB2 ALA B 4 15.563 9.439 11.267 1.00 0.00 H new ATOM 0 HB3 ALA B 4 15.566 9.225 13.033 1.00 0.00 H new ATOM 1142 N LYS B 5 18.944 8.827 13.355 1.00 0.00 N ATOM 1143 CA LYS B 5 19.660 9.063 14.618 1.00 0.00 C ATOM 1144 C LYS B 5 19.362 10.458 15.188 1.00 0.00 C ATOM 1145 O LYS B 5 19.245 11.431 14.439 1.00 0.00 O ATOM 1146 CB LYS B 5 21.166 8.750 14.516 1.00 0.00 C ATOM 1147 CG LYS B 5 22.006 9.584 13.532 1.00 0.00 C ATOM 1148 CD LYS B 5 22.093 8.954 12.131 1.00 0.00 C ATOM 1149 CE LYS B 5 23.190 9.665 11.323 1.00 0.00 C ATOM 1150 NZ LYS B 5 23.335 9.096 9.958 1.00 0.00 N1+ ATOM 0 H LYS B 5 19.198 9.492 12.624 1.00 0.00 H new ATOM 0 HA LYS B 5 19.272 8.349 15.344 1.00 0.00 H new ATOM 0 HB2 LYS B 5 21.600 8.866 15.509 1.00 0.00 H new ATOM 0 HB3 LYS B 5 21.272 7.700 14.242 1.00 0.00 H new ATOM 0 HG2 LYS B 5 21.574 10.582 13.449 1.00 0.00 H new ATOM 0 HG3 LYS B 5 23.012 9.704 13.933 1.00 0.00 H new ATOM 0 HD2 LYS B 5 22.316 7.890 12.211 1.00 0.00 H new ATOM 0 HD3 LYS B 5 21.134 9.041 11.620 1.00 0.00 H new ATOM 0 HE2 LYS B 5 22.955 10.727 11.250 1.00 0.00 H new ATOM 0 HE3 LYS B 5 24.140 9.584 11.852 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 24.320 9.199 9.642 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 23.080 8.088 9.973 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 22.706 9.602 9.302 1.00 0.00 H new ATOM 1164 N VAL B 6 19.244 10.552 16.510 1.00 0.00 N ATOM 1165 CA VAL B 6 18.944 11.784 17.261 1.00 0.00 C ATOM 1166 C VAL B 6 20.232 12.373 17.841 1.00 0.00 C ATOM 1167 O VAL B 6 21.109 11.620 18.269 1.00 0.00 O ATOM 1168 CB VAL B 6 17.918 11.526 18.388 1.00 0.00 C ATOM 1169 CG1 VAL B 6 17.427 12.822 19.040 1.00 0.00 C ATOM 1170 CG2 VAL B 6 16.689 10.759 17.892 1.00 0.00 C ATOM 0 H VAL B 6 19.358 9.742 17.119 1.00 0.00 H new ATOM 0 HA VAL B 6 18.502 12.500 16.568 1.00 0.00 H new ATOM 0 HB VAL B 6 18.456 10.926 19.122 1.00 0.00 H new ATOM 0 HG11 VAL B 6 16.709 12.585 19.825 1.00 0.00 H new ATOM 0 HG12 VAL B 6 18.274 13.355 19.472 1.00 0.00 H new ATOM 0 HG13 VAL B 6 16.949 13.449 18.288 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.999 10.603 18.721 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.193 11.333 17.110 1.00 0.00 H new ATOM 0 HG23 VAL B 6 17.000 9.794 17.492 1.00 0.00 H new ATOM 1180 N VAL B 7 20.335 13.703 17.910 1.00 0.00 N ATOM 1181 CA VAL B 7 21.420 14.435 18.587 1.00 0.00 C ATOM 1182 C VAL B 7 20.876 15.593 19.441 1.00 0.00 C ATOM 1183 O VAL B 7 19.923 16.281 19.059 1.00 0.00 O ATOM 1184 CB VAL B 7 22.500 14.889 17.579 1.00 0.00 C ATOM 1185 CG1 VAL B 7 21.984 15.866 16.512 1.00 0.00 C ATOM 1186 CG2 VAL B 7 23.702 15.547 18.272 1.00 0.00 C ATOM 0 H VAL B 7 19.646 14.323 17.484 1.00 0.00 H new ATOM 0 HA VAL B 7 21.907 13.750 19.281 1.00 0.00 H new ATOM 0 HB VAL B 7 22.802 13.964 17.088 1.00 0.00 H new ATOM 0 HG11 VAL B 7 22.800 16.138 15.843 1.00 0.00 H new ATOM 0 HG12 VAL B 7 21.187 15.391 15.939 1.00 0.00 H new ATOM 0 HG13 VAL B 7 21.598 16.763 16.996 1.00 0.00 H new ATOM 0 HG21 VAL B 7 24.434 15.849 17.523 1.00 0.00 H new ATOM 0 HG22 VAL B 7 23.367 16.424 18.826 1.00 0.00 H new ATOM 0 HG23 VAL B 7 24.160 14.836 18.960 1.00 0.00 H new ATOM 1196 N LEU B 8 21.483 15.793 20.614 1.00 0.00 N ATOM 1197 CA LEU B 8 21.093 16.789 21.617 1.00 0.00 C ATOM 1198 C LEU B 8 22.290 17.299 22.442 1.00 0.00 C ATOM 1199 O LEU B 8 23.297 16.601 22.589 1.00 0.00 O ATOM 1200 CB LEU B 8 19.985 16.209 22.520 1.00 0.00 C ATOM 1201 CG LEU B 8 20.377 14.952 23.335 1.00 0.00 C ATOM 1202 CD1 LEU B 8 19.701 14.959 24.707 1.00 0.00 C ATOM 1203 CD2 LEU B 8 19.959 13.654 22.634 1.00 0.00 C ATOM 0 H LEU B 8 22.292 15.243 20.903 1.00 0.00 H new ATOM 0 HA LEU B 8 20.702 17.660 21.091 1.00 0.00 H new ATOM 0 HB2 LEU B 8 19.664 16.985 23.215 1.00 0.00 H new ATOM 0 HB3 LEU B 8 19.125 15.963 21.897 1.00 0.00 H new ATOM 0 HG LEU B 8 21.462 14.986 23.432 1.00 0.00 H new ATOM 0 HD11 LEU B 8 19.992 14.066 25.260 1.00 0.00 H new ATOM 0 HD12 LEU B 8 20.010 15.846 25.260 1.00 0.00 H new ATOM 0 HD13 LEU B 8 18.619 14.970 24.579 1.00 0.00 H new ATOM 0 HD21 LEU B 8 20.255 12.800 23.243 1.00 0.00 H new ATOM 0 HD22 LEU B 8 18.877 13.646 22.498 1.00 0.00 H new ATOM 0 HD23 LEU B 8 20.447 13.592 21.661 1.00 0.00 H new ATOM 1215 N THR B 9 22.163 18.509 23.004 1.00 0.00 N ATOM 1216 CA THR B 9 23.175 19.159 23.858 1.00 0.00 C ATOM 1217 C THR B 9 22.641 19.362 25.283 1.00 0.00 C ATOM 1218 O THR B 9 21.517 19.836 25.479 1.00 0.00 O ATOM 1219 CB THR B 9 23.636 20.507 23.269 1.00 0.00 C ATOM 1220 OG1 THR B 9 23.965 20.374 21.900 1.00 0.00 O ATOM 1221 CG2 THR B 9 24.885 21.057 23.955 1.00 0.00 C ATOM 0 H THR B 9 21.329 19.082 22.875 1.00 0.00 H new ATOM 0 HA THR B 9 24.038 18.494 23.897 1.00 0.00 H new ATOM 0 HB THR B 9 22.797 21.186 23.422 1.00 0.00 H new ATOM 0 HG1 THR B 9 24.098 21.262 21.508 1.00 0.00 H new ATOM 0 HG21 THR B 9 25.162 22.007 23.498 1.00 0.00 H new ATOM 0 HG22 THR B 9 24.681 21.210 25.015 1.00 0.00 H new ATOM 0 HG23 THR B 9 25.705 20.347 23.842 1.00 0.00 H new ATOM 1229 N LYS B 10 23.447 18.998 26.283 1.00 0.00 N ATOM 1230 CA LYS B 10 23.156 19.107 27.725 1.00 0.00 C ATOM 1231 C LYS B 10 23.504 20.500 28.282 1.00 0.00 C ATOM 1232 O LYS B 10 24.333 21.214 27.718 1.00 0.00 O ATOM 1233 CB LYS B 10 23.910 17.998 28.484 1.00 0.00 C ATOM 1234 CG LYS B 10 23.473 16.592 28.030 1.00 0.00 C ATOM 1235 CD LYS B 10 24.038 15.471 28.915 1.00 0.00 C ATOM 1236 CE LYS B 10 25.564 15.368 28.811 1.00 0.00 C ATOM 1237 NZ LYS B 10 26.102 14.277 29.667 1.00 0.00 N1+ ATOM 0 H LYS B 10 24.369 18.598 26.106 1.00 0.00 H new ATOM 0 HA LYS B 10 22.084 18.977 27.870 1.00 0.00 H new ATOM 0 HB2 LYS B 10 24.982 18.114 28.325 1.00 0.00 H new ATOM 0 HB3 LYS B 10 23.733 18.105 29.554 1.00 0.00 H new ATOM 0 HG2 LYS B 10 22.384 16.537 28.035 1.00 0.00 H new ATOM 0 HG3 LYS B 10 23.796 16.432 27.001 1.00 0.00 H new ATOM 0 HD2 LYS B 10 23.757 15.652 29.952 1.00 0.00 H new ATOM 0 HD3 LYS B 10 23.590 14.520 28.625 1.00 0.00 H new ATOM 0 HE2 LYS B 10 25.847 15.189 27.774 1.00 0.00 H new ATOM 0 HE3 LYS B 10 26.014 16.316 29.105 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 27.137 14.238 29.570 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 25.854 14.460 30.660 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 25.692 13.368 29.370 1.00 0.00 H new ATOM 1251 N ALA B 11 22.932 20.849 29.436 1.00 0.00 N ATOM 1252 CA ALA B 11 23.203 22.116 30.134 1.00 0.00 C ATOM 1253 C ALA B 11 24.674 22.274 30.592 1.00 0.00 C ATOM 1254 O ALA B 11 25.175 23.393 30.723 1.00 0.00 O ATOM 1255 CB ALA B 11 22.244 22.218 31.329 1.00 0.00 C ATOM 0 H ALA B 11 22.259 20.256 29.921 1.00 0.00 H new ATOM 0 HA ALA B 11 23.037 22.930 29.429 1.00 0.00 H new ATOM 0 HB1 ALA B 11 22.426 23.151 31.863 1.00 0.00 H new ATOM 0 HB2 ALA B 11 21.214 22.199 30.972 1.00 0.00 H new ATOM 0 HB3 ALA B 11 22.410 21.376 32.002 1.00 0.00 H new ATOM 1261 N ASP B 12 25.388 21.156 30.796 1.00 0.00 N ATOM 1262 CA ASP B 12 26.831 21.117 31.113 1.00 0.00 C ATOM 1263 C ASP B 12 27.744 21.333 29.874 1.00 0.00 C ATOM 1264 O ASP B 12 28.973 21.315 29.982 1.00 0.00 O ATOM 1265 CB ASP B 12 27.131 19.772 31.805 1.00 0.00 C ATOM 1266 CG ASP B 12 28.476 19.733 32.557 1.00 0.00 C ATOM 1267 OD1 ASP B 12 28.914 20.768 33.119 1.00 0.00 O ATOM 1268 OD2 ASP B 12 29.082 18.634 32.640 1.00 0.00 O1- ATOM 0 H ASP B 12 24.970 20.227 30.744 1.00 0.00 H new ATOM 0 HA ASP B 12 27.060 21.951 31.777 1.00 0.00 H new ATOM 0 HB2 ASP B 12 26.328 19.551 32.508 1.00 0.00 H new ATOM 0 HB3 ASP B 12 27.124 18.981 31.055 1.00 0.00 H new ATOM 1273 N GLY B 13 27.160 21.512 28.678 1.00 0.00 N ATOM 1274 CA GLY B 13 27.866 21.717 27.405 1.00 0.00 C ATOM 1275 C GLY B 13 28.292 20.433 26.674 1.00 0.00 C ATOM 1276 O GLY B 13 28.805 20.514 25.554 1.00 0.00 O ATOM 0 H GLY B 13 26.146 21.518 28.568 1.00 0.00 H new ATOM 0 HA2 GLY B 13 27.224 22.297 26.742 1.00 0.00 H new ATOM 0 HA3 GLY B 13 28.755 22.319 27.594 1.00 0.00 H new ATOM 1280 N GLY B 14 28.070 19.253 27.266 1.00 0.00 N ATOM 1281 CA GLY B 14 28.276 17.945 26.615 1.00 0.00 C ATOM 1282 C GLY B 14 27.166 17.596 25.615 1.00 0.00 C ATOM 1283 O GLY B 14 26.098 18.214 25.616 1.00 0.00 O ATOM 0 H GLY B 14 27.737 19.175 28.227 1.00 0.00 H new ATOM 0 HA2 GLY B 14 29.236 17.949 26.098 1.00 0.00 H new ATOM 0 HA3 GLY B 14 28.328 17.169 27.378 1.00 0.00 H new ATOM 1287 N ARG B 15 27.397 16.586 24.772 1.00 0.00 N ATOM 1288 CA ARG B 15 26.442 16.103 23.749 1.00 0.00 C ATOM 1289 C ARG B 15 26.182 14.600 23.818 1.00 0.00 C ATOM 1290 O ARG B 15 27.039 13.833 24.264 1.00 0.00 O ATOM 1291 CB ARG B 15 26.903 16.534 22.343 1.00 0.00 C ATOM 1292 CG ARG B 15 26.615 18.021 22.105 1.00 0.00 C ATOM 1293 CD ARG B 15 26.990 18.473 20.692 1.00 0.00 C ATOM 1294 NE ARG B 15 26.388 19.785 20.407 1.00 0.00 N ATOM 1295 CZ ARG B 15 26.681 20.637 19.447 1.00 0.00 C ATOM 1296 NH1 ARG B 15 27.632 20.413 18.584 1.00 0.00 N1+ ATOM 1297 NH2 ARG B 15 26.005 21.745 19.337 1.00 0.00 N ATOM 0 H ARG B 15 28.273 16.063 24.775 1.00 0.00 H new ATOM 0 HA ARG B 15 25.483 16.572 23.967 1.00 0.00 H new ATOM 0 HB2 ARG B 15 27.970 16.344 22.232 1.00 0.00 H new ATOM 0 HB3 ARG B 15 26.392 15.935 21.589 1.00 0.00 H new ATOM 0 HG2 ARG B 15 25.556 18.214 22.275 1.00 0.00 H new ATOM 0 HG3 ARG B 15 27.168 18.616 22.832 1.00 0.00 H new ATOM 0 HD2 ARG B 15 28.074 18.533 20.596 1.00 0.00 H new ATOM 0 HD3 ARG B 15 26.645 17.739 19.963 1.00 0.00 H new ATOM 0 HE ARG B 15 25.642 20.074 21.040 1.00 0.00 H new ATOM 0 HH11 ARG B 15 28.178 19.553 18.639 1.00 0.00 H new ATOM 0 HH12 ARG B 15 27.830 21.097 17.854 1.00 0.00 H new ATOM 0 HH21 ARG B 15 25.252 21.950 19.993 1.00 0.00 H new ATOM 0 HH22 ARG B 15 26.229 22.408 18.595 1.00 0.00 H new ATOM 1311 N VAL B 16 24.990 14.197 23.370 1.00 0.00 N ATOM 1312 CA VAL B 16 24.508 12.803 23.342 1.00 0.00 C ATOM 1313 C VAL B 16 23.919 12.486 21.963 1.00 0.00 C ATOM 1314 O VAL B 16 23.250 13.328 21.361 1.00 0.00 O ATOM 1315 CB VAL B 16 23.482 12.546 24.474 1.00 0.00 C ATOM 1316 CG1 VAL B 16 22.932 11.114 24.456 1.00 0.00 C ATOM 1317 CG2 VAL B 16 24.091 12.798 25.858 1.00 0.00 C ATOM 0 H VAL B 16 24.303 14.855 23.001 1.00 0.00 H new ATOM 0 HA VAL B 16 25.350 12.134 23.518 1.00 0.00 H new ATOM 0 HB VAL B 16 22.668 13.246 24.288 1.00 0.00 H new ATOM 0 HG11 VAL B 16 22.218 10.988 25.270 1.00 0.00 H new ATOM 0 HG12 VAL B 16 22.434 10.927 23.504 1.00 0.00 H new ATOM 0 HG13 VAL B 16 23.753 10.407 24.581 1.00 0.00 H new ATOM 0 HG21 VAL B 16 23.341 12.607 26.626 1.00 0.00 H new ATOM 0 HG22 VAL B 16 24.941 12.133 26.008 1.00 0.00 H new ATOM 0 HG23 VAL B 16 24.424 13.834 25.926 1.00 0.00 H new ATOM 1327 N GLU B 17 24.159 11.264 21.471 1.00 0.00 N ATOM 1328 CA GLU B 17 23.646 10.747 20.190 1.00 0.00 C ATOM 1329 C GLU B 17 22.990 9.363 20.355 1.00 0.00 C ATOM 1330 O GLU B 17 23.462 8.536 21.145 1.00 0.00 O ATOM 1331 CB GLU B 17 24.755 10.687 19.128 1.00 0.00 C ATOM 1332 CG GLU B 17 25.275 12.067 18.710 1.00 0.00 C ATOM 1333 CD GLU B 17 26.422 11.985 17.686 1.00 0.00 C ATOM 1334 OE1 GLU B 17 27.356 12.825 17.759 1.00 0.00 O ATOM 1335 OE2 GLU B 17 26.406 11.107 16.788 1.00 0.00 O1- ATOM 0 H GLU B 17 24.734 10.584 21.968 1.00 0.00 H new ATOM 0 HA GLU B 17 22.880 11.445 19.851 1.00 0.00 H new ATOM 0 HB2 GLU B 17 25.586 10.096 19.514 1.00 0.00 H new ATOM 0 HB3 GLU B 17 24.377 10.168 18.247 1.00 0.00 H new ATOM 0 HG2 GLU B 17 24.455 12.646 18.285 1.00 0.00 H new ATOM 0 HG3 GLU B 17 25.620 12.604 19.594 1.00 0.00 H new ATOM 1342 N ILE B 18 21.890 9.112 19.636 1.00 0.00 N ATOM 1343 CA ILE B 18 21.013 7.942 19.824 1.00 0.00 C ATOM 1344 C ILE B 18 20.598 7.395 18.455 1.00 0.00 C ATOM 1345 O ILE B 18 19.850 8.048 17.726 1.00 0.00 O ATOM 1346 CB ILE B 18 19.778 8.305 20.688 1.00 0.00 C ATOM 1347 CG1 ILE B 18 20.171 8.981 22.025 1.00 0.00 C ATOM 1348 CG2 ILE B 18 18.925 7.050 20.951 1.00 0.00 C ATOM 1349 CD1 ILE B 18 18.986 9.557 22.800 1.00 0.00 C ATOM 0 H ILE B 18 21.574 9.730 18.888 1.00 0.00 H new ATOM 0 HA ILE B 18 21.560 7.167 20.361 1.00 0.00 H new ATOM 0 HB ILE B 18 19.191 9.030 20.124 1.00 0.00 H new ATOM 0 HG12 ILE B 18 20.683 8.252 22.653 1.00 0.00 H new ATOM 0 HG13 ILE B 18 20.882 9.781 21.821 1.00 0.00 H new ATOM 0 HG21 ILE B 18 18.061 7.318 21.559 1.00 0.00 H new ATOM 0 HG22 ILE B 18 18.586 6.635 20.002 1.00 0.00 H new ATOM 0 HG23 ILE B 18 19.523 6.307 21.479 1.00 0.00 H new ATOM 0 HD11 ILE B 18 19.342 10.013 23.724 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.486 10.311 22.192 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.283 8.758 23.037 1.00 0.00 H new ATOM 1361 N GLY B 19 21.091 6.207 18.095 1.00 0.00 N ATOM 1362 CA GLY B 19 20.866 5.575 16.788 1.00 0.00 C ATOM 1363 C GLY B 19 19.599 4.711 16.682 1.00 0.00 C ATOM 1364 O GLY B 19 19.036 4.267 17.687 1.00 0.00 O ATOM 0 H GLY B 19 21.671 5.643 18.717 1.00 0.00 H new ATOM 0 HA2 GLY B 19 20.817 6.356 16.029 1.00 0.00 H new ATOM 0 HA3 GLY B 19 21.730 4.954 16.550 1.00 0.00 H new ATOM 1368 N ASP B 20 19.189 4.430 15.439 1.00 0.00 N ATOM 1369 CA ASP B 20 18.137 3.465 15.064 1.00 0.00 C ATOM 1370 C ASP B 20 16.774 3.732 15.743 1.00 0.00 C ATOM 1371 O ASP B 20 16.117 2.836 16.281 1.00 0.00 O ATOM 1372 CB ASP B 20 18.647 2.021 15.205 1.00 0.00 C ATOM 1373 CG ASP B 20 19.970 1.725 14.474 1.00 0.00 C ATOM 1374 OD1 ASP B 20 20.700 0.803 14.913 1.00 0.00 O ATOM 1375 OD2 ASP B 20 20.280 2.367 13.442 1.00 0.00 O1- ATOM 0 H ASP B 20 19.599 4.889 14.625 1.00 0.00 H new ATOM 0 HA ASP B 20 17.918 3.616 14.007 1.00 0.00 H new ATOM 0 HB2 ASP B 20 18.777 1.799 16.264 1.00 0.00 H new ATOM 0 HB3 ASP B 20 17.881 1.343 14.829 1.00 0.00 H new ATOM 1380 N VAL B 21 16.371 5.008 15.746 1.00 0.00 N ATOM 1381 CA VAL B 21 15.120 5.472 16.359 1.00 0.00 C ATOM 1382 C VAL B 21 13.918 5.201 15.447 1.00 0.00 C ATOM 1383 O VAL B 21 13.920 5.576 14.269 1.00 0.00 O ATOM 1384 CB VAL B 21 15.266 6.947 16.793 1.00 0.00 C ATOM 1385 CG1 VAL B 21 15.105 7.977 15.670 1.00 0.00 C ATOM 1386 CG2 VAL B 21 14.264 7.299 17.891 1.00 0.00 C ATOM 0 H VAL B 21 16.912 5.758 15.317 1.00 0.00 H new ATOM 0 HA VAL B 21 14.919 4.900 17.265 1.00 0.00 H new ATOM 0 HB VAL B 21 16.295 7.010 17.148 1.00 0.00 H new ATOM 0 HG11 VAL B 21 15.225 8.981 16.077 1.00 0.00 H new ATOM 0 HG12 VAL B 21 15.862 7.803 14.905 1.00 0.00 H new ATOM 0 HG13 VAL B 21 14.113 7.881 15.228 1.00 0.00 H new ATOM 0 HG21 VAL B 21 14.390 8.343 18.177 1.00 0.00 H new ATOM 0 HG22 VAL B 21 13.250 7.143 17.522 1.00 0.00 H new ATOM 0 HG23 VAL B 21 14.436 6.662 18.759 1.00 0.00 H new ATOM 1396 N LEU B 22 12.884 4.547 15.980 1.00 0.00 N ATOM 1397 CA LEU B 22 11.593 4.304 15.314 1.00 0.00 C ATOM 1398 C LEU B 22 10.641 5.497 15.420 1.00 0.00 C ATOM 1399 O LEU B 22 9.865 5.748 14.499 1.00 0.00 O ATOM 1400 CB LEU B 22 10.899 3.078 15.947 1.00 0.00 C ATOM 1401 CG LEU B 22 11.546 1.712 15.674 1.00 0.00 C ATOM 1402 CD1 LEU B 22 10.805 0.647 16.487 1.00 0.00 C ATOM 1403 CD2 LEU B 22 11.456 1.297 14.206 1.00 0.00 C ATOM 0 H LEU B 22 12.919 4.156 16.921 1.00 0.00 H new ATOM 0 HA LEU B 22 11.814 4.133 14.260 1.00 0.00 H new ATOM 0 HB2 LEU B 22 10.858 3.227 17.026 1.00 0.00 H new ATOM 0 HB3 LEU B 22 9.869 3.046 15.591 1.00 0.00 H new ATOM 0 HG LEU B 22 12.597 1.797 15.949 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.254 -0.329 16.303 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.876 0.885 17.548 1.00 0.00 H new ATOM 0 HD13 LEU B 22 9.757 0.626 16.189 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.930 0.324 14.073 1.00 0.00 H new ATOM 0 HD22 LEU B 22 10.409 1.235 13.909 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.965 2.036 13.587 1.00 0.00 H new ATOM 1415 N GLU B 23 10.677 6.226 16.534 1.00 0.00 N ATOM 1416 CA GLU B 23 9.819 7.389 16.792 1.00 0.00 C ATOM 1417 C GLU B 23 10.438 8.357 17.816 1.00 0.00 C ATOM 1418 O GLU B 23 11.053 7.928 18.799 1.00 0.00 O ATOM 1419 CB GLU B 23 8.427 6.913 17.250 1.00 0.00 C ATOM 1420 CG GLU B 23 7.444 8.063 17.542 1.00 0.00 C ATOM 1421 CD GLU B 23 6.003 7.606 17.821 1.00 0.00 C ATOM 1422 OE1 GLU B 23 5.755 6.440 18.211 1.00 0.00 O ATOM 1423 OE2 GLU B 23 5.082 8.447 17.721 1.00 0.00 O1- ATOM 0 H GLU B 23 11.317 6.023 17.302 1.00 0.00 H new ATOM 0 HA GLU B 23 9.721 7.948 15.861 1.00 0.00 H new ATOM 0 HB2 GLU B 23 8.001 6.270 16.480 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.538 6.305 18.148 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.807 8.627 18.401 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.438 8.746 16.692 1.00 0.00 H new ATOM 1430 N VAL B 24 10.236 9.665 17.618 1.00 0.00 N ATOM 1431 CA VAL B 24 10.506 10.727 18.611 1.00 0.00 C ATOM 1432 C VAL B 24 9.252 11.570 18.850 1.00 0.00 C ATOM 1433 O VAL B 24 8.494 11.819 17.912 1.00 0.00 O ATOM 1434 CB VAL B 24 11.714 11.615 18.221 1.00 0.00 C ATOM 1435 CG1 VAL B 24 12.989 10.795 17.991 1.00 0.00 C ATOM 1436 CG2 VAL B 24 11.492 12.444 16.959 1.00 0.00 C ATOM 0 H VAL B 24 9.870 10.031 16.739 1.00 0.00 H new ATOM 0 HA VAL B 24 10.777 10.233 19.544 1.00 0.00 H new ATOM 0 HB VAL B 24 11.825 12.281 19.076 1.00 0.00 H new ATOM 0 HG11 VAL B 24 13.807 11.463 17.720 1.00 0.00 H new ATOM 0 HG12 VAL B 24 13.246 10.258 18.904 1.00 0.00 H new ATOM 0 HG13 VAL B 24 12.822 10.081 17.185 1.00 0.00 H new ATOM 0 HG21 VAL B 24 12.382 13.038 16.753 1.00 0.00 H new ATOM 0 HG22 VAL B 24 11.296 11.780 16.117 1.00 0.00 H new ATOM 0 HG23 VAL B 24 10.639 13.107 17.105 1.00 0.00 H new ATOM 1446 N ARG B 25 9.041 12.043 20.084 1.00 0.00 N ATOM 1447 CA ARG B 25 7.890 12.874 20.490 1.00 0.00 C ATOM 1448 C ARG B 25 8.331 14.007 21.417 1.00 0.00 C ATOM 1449 O ARG B 25 9.113 13.769 22.336 1.00 0.00 O ATOM 1450 CB ARG B 25 6.834 12.026 21.221 1.00 0.00 C ATOM 1451 CG ARG B 25 6.279 10.846 20.404 1.00 0.00 C ATOM 1452 CD ARG B 25 5.177 10.130 21.196 1.00 0.00 C ATOM 1453 NE ARG B 25 4.715 8.921 20.493 1.00 0.00 N ATOM 1454 CZ ARG B 25 4.036 7.909 20.997 1.00 0.00 C ATOM 1455 NH1 ARG B 25 3.543 7.928 22.203 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 25 3.848 6.842 20.278 1.00 0.00 N ATOM 0 H ARG B 25 9.683 11.855 20.854 1.00 0.00 H new ATOM 0 HA ARG B 25 7.460 13.294 19.581 1.00 0.00 H new ATOM 0 HB2 ARG B 25 7.272 11.639 22.141 1.00 0.00 H new ATOM 0 HB3 ARG B 25 6.005 12.672 21.510 1.00 0.00 H new ATOM 0 HG2 ARG B 25 5.881 11.206 19.455 1.00 0.00 H new ATOM 0 HG3 ARG B 25 7.081 10.147 20.169 1.00 0.00 H new ATOM 0 HD2 ARG B 25 5.552 9.859 22.183 1.00 0.00 H new ATOM 0 HD3 ARG B 25 4.337 10.808 21.350 1.00 0.00 H new ATOM 0 HE ARG B 25 4.947 8.859 19.502 1.00 0.00 H new ATOM 0 HH11 ARG B 25 3.676 8.747 22.796 1.00 0.00 H new ATOM 0 HH12 ARG B 25 3.024 7.123 22.554 1.00 0.00 H new ATOM 0 HH21 ARG B 25 4.225 6.792 19.331 1.00 0.00 H new ATOM 0 HH22 ARG B 25 3.324 6.055 20.661 1.00 0.00 H new ATOM 1470 N ALA B 26 7.789 15.208 21.225 1.00 0.00 N ATOM 1471 CA ALA B 26 7.843 16.288 22.205 1.00 0.00 C ATOM 1472 C ALA B 26 6.580 16.231 23.083 1.00 0.00 C ATOM 1473 O ALA B 26 5.454 16.301 22.579 1.00 0.00 O ATOM 1474 CB ALA B 26 7.999 17.627 21.469 1.00 0.00 C ATOM 0 H ALA B 26 7.293 15.461 20.371 1.00 0.00 H new ATOM 0 HA ALA B 26 8.703 16.180 22.865 1.00 0.00 H new ATOM 0 HB1 ALA B 26 8.040 18.439 22.195 1.00 0.00 H new ATOM 0 HB2 ALA B 26 8.919 17.616 20.885 1.00 0.00 H new ATOM 0 HB3 ALA B 26 7.149 17.778 20.804 1.00 0.00 H new ATOM 1509 N ALA B 30 9.351 17.910 27.669 1.00 0.00 N ATOM 1510 CA ALA B 30 10.494 17.026 27.431 1.00 0.00 C ATOM 1511 C ALA B 30 10.449 16.420 26.012 1.00 0.00 C ATOM 1512 O ALA B 30 9.418 16.485 25.338 1.00 0.00 O ATOM 1513 CB ALA B 30 10.461 15.925 28.505 1.00 0.00 C ATOM 0 HA ALA B 30 11.424 17.591 27.497 1.00 0.00 H new ATOM 0 HB1 ALA B 30 11.301 15.247 28.357 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.531 16.379 29.494 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.527 15.368 28.427 1.00 0.00 H new ATOM 1519 N VAL B 31 11.541 15.784 25.575 1.00 0.00 N ATOM 1520 CA VAL B 31 11.523 14.854 24.429 1.00 0.00 C ATOM 1521 C VAL B 31 11.649 13.403 24.888 1.00 0.00 C ATOM 1522 O VAL B 31 12.421 13.094 25.795 1.00 0.00 O ATOM 1523 CB VAL B 31 12.570 15.214 23.354 1.00 0.00 C ATOM 1524 CG1 VAL B 31 12.725 14.146 22.256 1.00 0.00 C ATOM 1525 CG2 VAL B 31 12.148 16.504 22.644 1.00 0.00 C ATOM 0 H VAL B 31 12.461 15.895 26.000 1.00 0.00 H new ATOM 0 HA VAL B 31 10.550 14.963 23.950 1.00 0.00 H new ATOM 0 HB VAL B 31 13.516 15.308 23.886 1.00 0.00 H new ATOM 0 HG11 VAL B 31 13.478 14.470 21.537 1.00 0.00 H new ATOM 0 HG12 VAL B 31 13.035 13.203 22.707 1.00 0.00 H new ATOM 0 HG13 VAL B 31 11.772 14.008 21.746 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.887 16.760 21.884 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.177 16.358 22.171 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.080 17.314 23.371 1.00 0.00 H new ATOM 1535 N ARG B 32 10.905 12.507 24.232 1.00 0.00 N ATOM 1536 CA ARG B 32 10.978 11.045 24.359 1.00 0.00 C ATOM 1537 C ARG B 32 11.369 10.421 23.022 1.00 0.00 C ATOM 1538 O ARG B 32 10.929 10.892 21.968 1.00 0.00 O ATOM 1539 CB ARG B 32 9.638 10.476 24.854 1.00 0.00 C ATOM 1540 CG ARG B 32 9.318 10.941 26.284 1.00 0.00 C ATOM 1541 CD ARG B 32 7.900 10.532 26.706 1.00 0.00 C ATOM 1542 NE ARG B 32 7.775 9.073 26.880 1.00 0.00 N ATOM 1543 CZ ARG B 32 6.664 8.366 26.931 1.00 0.00 C ATOM 1544 NH1 ARG B 32 5.479 8.884 26.788 1.00 0.00 N1+ ATOM 1545 NH2 ARG B 32 6.756 7.090 27.142 1.00 0.00 N ATOM 0 H ARG B 32 10.195 12.797 23.560 1.00 0.00 H new ATOM 0 HA ARG B 32 11.742 10.797 25.095 1.00 0.00 H new ATOM 0 HB2 ARG B 32 8.839 10.789 24.182 1.00 0.00 H new ATOM 0 HB3 ARG B 32 9.671 9.387 24.824 1.00 0.00 H new ATOM 0 HG2 ARG B 32 10.042 10.513 26.977 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.419 12.025 26.346 1.00 0.00 H new ATOM 0 HD2 ARG B 32 7.641 11.032 27.639 1.00 0.00 H new ATOM 0 HD3 ARG B 32 7.186 10.870 25.955 1.00 0.00 H new ATOM 0 HE ARG B 32 8.647 8.552 26.971 1.00 0.00 H new ATOM 0 HH11 ARG B 32 5.376 9.886 26.627 1.00 0.00 H new ATOM 0 HH12 ARG B 32 4.653 8.288 26.837 1.00 0.00 H new ATOM 0 HH21 ARG B 32 7.672 6.658 27.264 1.00 0.00 H new ATOM 0 HH22 ARG B 32 5.912 6.518 27.186 1.00 0.00 H new ATOM 1559 N VAL B 33 12.172 9.359 23.058 1.00 0.00 N ATOM 1560 CA VAL B 33 12.697 8.657 21.867 1.00 0.00 C ATOM 1561 C VAL B 33 12.642 7.136 22.065 1.00 0.00 C ATOM 1562 O VAL B 33 12.929 6.651 23.161 1.00 0.00 O ATOM 1563 CB VAL B 33 14.110 9.140 21.478 1.00 0.00 C ATOM 1564 CG1 VAL B 33 14.245 10.671 21.465 1.00 0.00 C ATOM 1565 CG2 VAL B 33 15.222 8.605 22.380 1.00 0.00 C ATOM 0 H VAL B 33 12.489 8.945 23.935 1.00 0.00 H new ATOM 0 HA VAL B 33 12.050 8.908 21.026 1.00 0.00 H new ATOM 0 HB VAL B 33 14.231 8.738 20.472 1.00 0.00 H new ATOM 0 HG11 VAL B 33 15.262 10.944 21.184 1.00 0.00 H new ATOM 0 HG12 VAL B 33 13.544 11.092 20.744 1.00 0.00 H new ATOM 0 HG13 VAL B 33 14.025 11.064 22.458 1.00 0.00 H new ATOM 0 HG21 VAL B 33 16.183 8.991 22.040 1.00 0.00 H new ATOM 0 HG22 VAL B 33 15.044 8.927 23.406 1.00 0.00 H new ATOM 0 HG23 VAL B 33 15.232 7.516 22.338 1.00 0.00 H new ATOM 1575 N THR B 34 12.280 6.384 21.020 1.00 0.00 N ATOM 1576 CA THR B 34 12.046 4.920 21.076 1.00 0.00 C ATOM 1577 C THR B 34 12.751 4.191 19.928 1.00 0.00 C ATOM 1578 O THR B 34 12.648 4.622 18.776 1.00 0.00 O ATOM 1579 CB THR B 34 10.537 4.618 21.055 1.00 0.00 C ATOM 1580 OG1 THR B 34 9.892 5.223 22.160 1.00 0.00 O ATOM 1581 CG2 THR B 34 10.222 3.123 21.137 1.00 0.00 C ATOM 0 H THR B 34 12.136 6.775 20.089 1.00 0.00 H new ATOM 0 HA THR B 34 12.469 4.553 22.011 1.00 0.00 H new ATOM 0 HB THR B 34 10.180 5.014 20.105 1.00 0.00 H new ATOM 0 HG1 THR B 34 8.933 5.022 22.129 1.00 0.00 H new ATOM 0 HG21 THR B 34 9.142 2.977 21.118 1.00 0.00 H new ATOM 0 HG22 THR B 34 10.673 2.609 20.288 1.00 0.00 H new ATOM 0 HG23 THR B 34 10.627 2.716 22.064 1.00 0.00 H new ATOM 1589 N THR B 35 13.461 3.097 20.217 1.00 0.00 N ATOM 1590 CA THR B 35 14.298 2.351 19.253 1.00 0.00 C ATOM 1591 C THR B 35 13.775 0.935 18.953 1.00 0.00 C ATOM 1592 O THR B 35 12.884 0.419 19.635 1.00 0.00 O ATOM 1593 CB THR B 35 15.765 2.268 19.729 1.00 0.00 C ATOM 1594 OG1 THR B 35 15.870 1.409 20.844 1.00 0.00 O ATOM 1595 CG2 THR B 35 16.347 3.628 20.117 1.00 0.00 C ATOM 0 H THR B 35 13.475 2.689 21.152 1.00 0.00 H new ATOM 0 HA THR B 35 14.245 2.920 18.325 1.00 0.00 H new ATOM 0 HB THR B 35 16.334 1.883 18.883 1.00 0.00 H new ATOM 0 HG1 THR B 35 16.805 1.364 21.135 1.00 0.00 H new ATOM 0 HG21 THR B 35 17.380 3.502 20.442 1.00 0.00 H new ATOM 0 HG22 THR B 35 16.317 4.296 19.256 1.00 0.00 H new ATOM 0 HG23 THR B 35 15.760 4.057 20.929 1.00 0.00 H new ATOM 1603 N LEU B 36 14.346 0.285 17.930 1.00 0.00 N ATOM 1604 CA LEU B 36 13.993 -1.070 17.471 1.00 0.00 C ATOM 1605 C LEU B 36 14.180 -2.202 18.501 1.00 0.00 C ATOM 1606 O LEU B 36 13.647 -3.298 18.312 1.00 0.00 O ATOM 1607 CB LEU B 36 14.754 -1.371 16.157 1.00 0.00 C ATOM 1608 CG LEU B 36 16.227 -1.826 16.286 1.00 0.00 C ATOM 1609 CD1 LEU B 36 16.808 -2.059 14.893 1.00 0.00 C ATOM 1610 CD2 LEU B 36 17.115 -0.794 16.987 1.00 0.00 C ATOM 0 H LEU B 36 15.095 0.702 17.377 1.00 0.00 H new ATOM 0 HA LEU B 36 12.916 -1.059 17.306 1.00 0.00 H new ATOM 0 HB2 LEU B 36 14.207 -2.144 15.618 1.00 0.00 H new ATOM 0 HB3 LEU B 36 14.730 -0.474 15.538 1.00 0.00 H new ATOM 0 HG LEU B 36 16.218 -2.736 16.886 1.00 0.00 H new ATOM 0 HD11 LEU B 36 17.846 -2.380 14.981 1.00 0.00 H new ATOM 0 HD12 LEU B 36 16.232 -2.831 14.383 1.00 0.00 H new ATOM 0 HD13 LEU B 36 16.762 -1.133 14.320 1.00 0.00 H new ATOM 0 HD21 LEU B 36 18.135 -1.172 17.046 1.00 0.00 H new ATOM 0 HD22 LEU B 36 17.106 0.138 16.422 1.00 0.00 H new ATOM 0 HD23 LEU B 36 16.737 -0.612 17.993 1.00 0.00 H new ATOM 1622 N PHE B 37 14.912 -1.953 19.592 1.00 0.00 N ATOM 1623 CA PHE B 37 15.091 -2.884 20.714 1.00 0.00 C ATOM 1624 C PHE B 37 13.920 -2.873 21.720 1.00 0.00 C ATOM 1625 O PHE B 37 14.001 -3.526 22.763 1.00 0.00 O ATOM 1626 CB PHE B 37 16.430 -2.572 21.412 1.00 0.00 C ATOM 1627 CG PHE B 37 17.642 -2.561 20.491 1.00 0.00 C ATOM 1628 CD1 PHE B 37 17.947 -3.694 19.712 1.00 0.00 C ATOM 1629 CD2 PHE B 37 18.472 -1.427 20.421 1.00 0.00 C ATOM 1630 CE1 PHE B 37 19.061 -3.685 18.856 1.00 0.00 C ATOM 1631 CE2 PHE B 37 19.592 -1.418 19.567 1.00 0.00 C ATOM 1632 CZ PHE B 37 19.884 -2.547 18.781 1.00 0.00 C ATOM 0 H PHE B 37 15.411 -1.073 19.724 1.00 0.00 H new ATOM 0 HA PHE B 37 15.105 -3.895 20.306 1.00 0.00 H new ATOM 0 HB2 PHE B 37 16.352 -1.600 21.899 1.00 0.00 H new ATOM 0 HB3 PHE B 37 16.595 -3.309 22.198 1.00 0.00 H new ATOM 0 HD1 PHE B 37 17.322 -4.573 19.773 1.00 0.00 H new ATOM 0 HD2 PHE B 37 18.249 -0.560 21.025 1.00 0.00 H new ATOM 0 HE1 PHE B 37 19.286 -4.553 18.255 1.00 0.00 H new ATOM 0 HE2 PHE B 37 20.226 -0.545 19.516 1.00 0.00 H new ATOM 0 HZ PHE B 37 20.739 -2.540 18.121 1.00 0.00 H new ATOM 1642 N ASP B 38 12.858 -2.112 21.441 1.00 0.00 N ATOM 1643 CA ASP B 38 11.781 -1.739 22.376 1.00 0.00 C ATOM 1644 C ASP B 38 12.261 -0.913 23.593 1.00 0.00 C ATOM 1645 O ASP B 38 11.537 -0.746 24.575 1.00 0.00 O ATOM 1646 CB ASP B 38 10.886 -2.932 22.757 1.00 0.00 C ATOM 1647 CG ASP B 38 10.338 -3.732 21.561 1.00 0.00 C ATOM 1648 OD1 ASP B 38 10.050 -3.143 20.488 1.00 0.00 O ATOM 1649 OD2 ASP B 38 10.138 -4.962 21.716 1.00 0.00 O1- ATOM 0 H ASP B 38 12.714 -1.717 20.512 1.00 0.00 H new ATOM 0 HA ASP B 38 11.143 -1.052 21.820 1.00 0.00 H new ATOM 0 HB2 ASP B 38 11.455 -3.606 23.397 1.00 0.00 H new ATOM 0 HB3 ASP B 38 10.046 -2.565 23.347 1.00 0.00 H new ATOM 1654 N GLU B 39 13.488 -0.380 23.533 1.00 0.00 N ATOM 1655 CA GLU B 39 14.021 0.574 24.513 1.00 0.00 C ATOM 1656 C GLU B 39 13.512 1.997 24.273 1.00 0.00 C ATOM 1657 O GLU B 39 13.148 2.384 23.160 1.00 0.00 O ATOM 1658 CB GLU B 39 15.559 0.560 24.527 1.00 0.00 C ATOM 1659 CG GLU B 39 16.149 -0.711 25.145 1.00 0.00 C ATOM 1660 CD GLU B 39 15.772 -0.958 26.625 1.00 0.00 C ATOM 1661 OE1 GLU B 39 15.481 0.012 27.371 1.00 0.00 O ATOM 1662 OE2 GLU B 39 15.782 -2.132 27.073 1.00 0.00 O1- ATOM 0 H GLU B 39 14.149 -0.604 22.789 1.00 0.00 H new ATOM 0 HA GLU B 39 13.657 0.250 25.488 1.00 0.00 H new ATOM 0 HB2 GLU B 39 15.925 0.663 23.506 1.00 0.00 H new ATOM 0 HB3 GLU B 39 15.918 1.426 25.083 1.00 0.00 H new ATOM 0 HG2 GLU B 39 15.823 -1.568 24.555 1.00 0.00 H new ATOM 0 HG3 GLU B 39 17.235 -0.664 25.066 1.00 0.00 H new ATOM 1669 N GLU B 40 13.511 2.786 25.345 1.00 0.00 N ATOM 1670 CA GLU B 40 12.990 4.149 25.393 1.00 0.00 C ATOM 1671 C GLU B 40 13.848 5.031 26.323 1.00 0.00 C ATOM 1672 O GLU B 40 14.318 4.576 27.375 1.00 0.00 O ATOM 1673 CB GLU B 40 11.502 4.101 25.799 1.00 0.00 C ATOM 1674 CG GLU B 40 10.795 5.468 25.775 1.00 0.00 C ATOM 1675 CD GLU B 40 10.553 6.100 27.161 1.00 0.00 C ATOM 1676 OE1 GLU B 40 11.363 5.924 28.101 1.00 0.00 O ATOM 1677 OE2 GLU B 40 9.519 6.799 27.309 1.00 0.00 O1- ATOM 0 H GLU B 40 13.889 2.480 26.241 1.00 0.00 H new ATOM 0 HA GLU B 40 13.050 4.613 24.409 1.00 0.00 H new ATOM 0 HB2 GLU B 40 10.976 3.421 25.129 1.00 0.00 H new ATOM 0 HB3 GLU B 40 11.424 3.682 26.802 1.00 0.00 H new ATOM 0 HG2 GLU B 40 11.390 6.158 25.177 1.00 0.00 H new ATOM 0 HG3 GLU B 40 9.835 5.355 25.271 1.00 0.00 H new ATOM 1684 N HIS B 41 14.057 6.291 25.927 1.00 0.00 N ATOM 1685 CA HIS B 41 14.815 7.307 26.677 1.00 0.00 C ATOM 1686 C HIS B 41 14.051 8.640 26.691 1.00 0.00 C ATOM 1687 O HIS B 41 13.270 8.919 25.775 1.00 0.00 O ATOM 1688 CB HIS B 41 16.226 7.476 26.084 1.00 0.00 C ATOM 1689 CG HIS B 41 17.007 6.194 25.937 1.00 0.00 C ATOM 1690 ND1 HIS B 41 17.677 5.526 26.966 1.00 0.00 N ATOM 1691 CD2 HIS B 41 17.155 5.484 24.778 1.00 0.00 C ATOM 1692 CE1 HIS B 41 18.207 4.424 26.405 1.00 0.00 C ATOM 1693 NE2 HIS B 41 17.911 4.375 25.094 1.00 0.00 N ATOM 0 H HIS B 41 13.691 6.648 25.044 1.00 0.00 H new ATOM 0 HA HIS B 41 14.926 6.972 27.708 1.00 0.00 H new ATOM 0 HB2 HIS B 41 16.139 7.947 25.105 1.00 0.00 H new ATOM 0 HB3 HIS B 41 16.792 8.159 26.717 1.00 0.00 H new ATOM 0 HD2 HIS B 41 16.758 5.741 23.807 1.00 0.00 H new ATOM 0 HE1 HIS B 41 18.788 3.683 26.933 1.00 0.00 H new ATOM 0 HE2 HIS B 41 18.197 3.642 24.444 1.00 0.00 H new ATOM 1701 N ALA B 42 14.282 9.469 27.716 1.00 0.00 N ATOM 1702 CA ALA B 42 13.582 10.738 27.930 1.00 0.00 C ATOM 1703 C ALA B 42 14.519 11.855 28.427 1.00 0.00 C ATOM 1704 O ALA B 42 15.426 11.613 29.235 1.00 0.00 O ATOM 1705 CB ALA B 42 12.403 10.507 28.891 1.00 0.00 C ATOM 0 H ALA B 42 14.977 9.270 28.435 1.00 0.00 H new ATOM 0 HA ALA B 42 13.199 11.087 26.971 1.00 0.00 H new ATOM 0 HB1 ALA B 42 11.877 11.448 29.055 1.00 0.00 H new ATOM 0 HB2 ALA B 42 11.717 9.779 28.457 1.00 0.00 H new ATOM 0 HB3 ALA B 42 12.778 10.130 29.843 1.00 0.00 H new ATOM 1711 N PHE B 43 14.295 13.079 27.942 1.00 0.00 N ATOM 1712 CA PHE B 43 15.186 14.239 28.095 1.00 0.00 C ATOM 1713 C PHE B 43 14.380 15.521 28.406 1.00 0.00 C ATOM 1714 O PHE B 43 13.843 16.145 27.483 1.00 0.00 O ATOM 1715 CB PHE B 43 16.056 14.377 26.835 1.00 0.00 C ATOM 1716 CG PHE B 43 16.858 13.131 26.517 1.00 0.00 C ATOM 1717 CD1 PHE B 43 18.047 12.864 27.224 1.00 0.00 C ATOM 1718 CD2 PHE B 43 16.388 12.210 25.562 1.00 0.00 C ATOM 1719 CE1 PHE B 43 18.747 11.664 26.989 1.00 0.00 C ATOM 1720 CE2 PHE B 43 17.082 11.012 25.339 1.00 0.00 C ATOM 1721 CZ PHE B 43 18.257 10.731 26.058 1.00 0.00 C ATOM 0 H PHE B 43 13.454 13.301 27.409 1.00 0.00 H new ATOM 0 HA PHE B 43 15.848 14.085 28.947 1.00 0.00 H new ATOM 0 HB2 PHE B 43 15.416 14.615 25.985 1.00 0.00 H new ATOM 0 HB3 PHE B 43 16.739 15.216 26.964 1.00 0.00 H new ATOM 0 HD1 PHE B 43 18.421 13.577 27.944 1.00 0.00 H new ATOM 0 HD2 PHE B 43 15.491 12.426 25.000 1.00 0.00 H new ATOM 0 HE1 PHE B 43 19.662 11.460 27.525 1.00 0.00 H new ATOM 0 HE2 PHE B 43 16.713 10.303 24.613 1.00 0.00 H new ATOM 0 HZ PHE B 43 18.782 9.801 25.896 1.00 0.00 H new ATOM 1731 N PRO B 44 14.254 15.914 29.687 1.00 0.00 N ATOM 1732 CA PRO B 44 13.528 17.117 30.107 1.00 0.00 C ATOM 1733 C PRO B 44 14.125 18.420 29.562 1.00 0.00 C ATOM 1734 O PRO B 44 15.337 18.553 29.392 1.00 0.00 O ATOM 1735 CB PRO B 44 13.517 17.091 31.641 1.00 0.00 C ATOM 1736 CG PRO B 44 13.672 15.612 31.966 1.00 0.00 C ATOM 1737 CD PRO B 44 14.608 15.132 30.866 1.00 0.00 C ATOM 0 HA PRO B 44 12.519 17.103 29.695 1.00 0.00 H new ATOM 0 HB2 PRO B 44 14.331 17.683 32.059 1.00 0.00 H new ATOM 0 HB3 PRO B 44 12.589 17.496 32.044 1.00 0.00 H new ATOM 0 HG2 PRO B 44 14.097 15.456 32.958 1.00 0.00 H new ATOM 0 HG3 PRO B 44 12.716 15.089 31.943 1.00 0.00 H new ATOM 0 HD2 PRO B 44 15.651 15.288 31.142 1.00 0.00 H new ATOM 0 HD3 PRO B 44 14.483 14.065 30.682 1.00 0.00 H new ATOM 1745 N GLY B 45 13.252 19.401 29.316 1.00 0.00 N ATOM 1746 CA GLY B 45 13.610 20.750 28.852 1.00 0.00 C ATOM 1747 C GLY B 45 13.831 20.863 27.338 1.00 0.00 C ATOM 1748 O GLY B 45 14.180 21.945 26.862 1.00 0.00 O ATOM 0 H GLY B 45 12.247 19.278 29.437 1.00 0.00 H new ATOM 0 HA2 GLY B 45 12.821 21.443 29.144 1.00 0.00 H new ATOM 0 HA3 GLY B 45 14.518 21.068 29.364 1.00 0.00 H new ATOM 1752 N LEU B 46 13.627 19.784 26.571 1.00 0.00 N ATOM 1753 CA LEU B 46 13.814 19.753 25.115 1.00 0.00 C ATOM 1754 C LEU B 46 12.493 19.699 24.325 1.00 0.00 C ATOM 1755 O LEU B 46 11.448 19.300 24.839 1.00 0.00 O ATOM 1756 CB LEU B 46 14.737 18.582 24.720 1.00 0.00 C ATOM 1757 CG LEU B 46 16.147 18.598 25.342 1.00 0.00 C ATOM 1758 CD1 LEU B 46 16.971 17.452 24.768 1.00 0.00 C ATOM 1759 CD2 LEU B 46 16.918 19.890 25.066 1.00 0.00 C ATOM 0 H LEU B 46 13.321 18.889 26.954 1.00 0.00 H new ATOM 0 HA LEU B 46 14.286 20.697 24.843 1.00 0.00 H new ATOM 0 HB2 LEU B 46 14.248 17.649 25.000 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.840 18.575 23.635 1.00 0.00 H new ATOM 0 HG LEU B 46 16.001 18.506 26.418 1.00 0.00 H new ATOM 0 HD11 LEU B 46 17.968 17.464 25.209 1.00 0.00 H new ATOM 0 HD12 LEU B 46 16.485 16.504 24.997 1.00 0.00 H new ATOM 0 HD13 LEU B 46 17.051 17.567 23.687 1.00 0.00 H new ATOM 0 HD21 LEU B 46 17.902 19.833 25.532 1.00 0.00 H new ATOM 0 HD22 LEU B 46 17.034 20.022 23.990 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.369 20.737 25.478 1.00 0.00 H new ATOM 1771 N ALA B 47 12.587 20.058 23.044 1.00 0.00 N ATOM 1772 CA ALA B 47 11.608 19.882 21.974 1.00 0.00 C ATOM 1773 C ALA B 47 12.331 19.542 20.649 1.00 0.00 C ATOM 1774 O ALA B 47 13.534 19.774 20.507 1.00 0.00 O ATOM 1775 CB ALA B 47 10.756 21.149 21.856 1.00 0.00 C ATOM 0 H ALA B 47 13.428 20.522 22.699 1.00 0.00 H new ATOM 0 HA ALA B 47 10.943 19.049 22.204 1.00 0.00 H new ATOM 0 HB1 ALA B 47 10.024 21.022 21.059 1.00 0.00 H new ATOM 0 HB2 ALA B 47 10.239 21.329 22.798 1.00 0.00 H new ATOM 0 HB3 ALA B 47 11.398 21.999 21.627 1.00 0.00 H new ATOM 1781 N ILE B 48 11.616 18.984 19.665 1.00 0.00 N ATOM 1782 CA ILE B 48 12.187 18.618 18.357 1.00 0.00 C ATOM 1783 C ILE B 48 12.428 19.890 17.515 1.00 0.00 C ATOM 1784 O ILE B 48 11.498 20.663 17.281 1.00 0.00 O ATOM 1785 CB ILE B 48 11.288 17.592 17.628 1.00 0.00 C ATOM 1786 CG1 ILE B 48 11.059 16.295 18.447 1.00 0.00 C ATOM 1787 CG2 ILE B 48 11.910 17.214 16.266 1.00 0.00 C ATOM 1788 CD1 ILE B 48 9.729 15.611 18.097 1.00 0.00 C ATOM 0 H ILE B 48 10.622 18.772 19.751 1.00 0.00 H new ATOM 0 HA ILE B 48 13.151 18.133 18.510 1.00 0.00 H new ATOM 0 HB ILE B 48 10.320 18.075 17.492 1.00 0.00 H new ATOM 0 HG12 ILE B 48 11.880 15.602 18.263 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.074 16.532 19.511 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.269 16.491 15.761 1.00 0.00 H new ATOM 0 HG22 ILE B 48 12.005 18.107 15.649 1.00 0.00 H new ATOM 0 HG23 ILE B 48 12.895 16.776 16.425 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.615 14.708 18.697 1.00 0.00 H new ATOM 0 HD12 ILE B 48 8.904 16.292 18.306 1.00 0.00 H new ATOM 0 HD13 ILE B 48 9.723 15.347 17.039 1.00 0.00 H new ATOM 1800 N GLY B 49 13.669 20.113 17.079 1.00 0.00 N ATOM 1801 CA GLY B 49 14.103 21.335 16.385 1.00 0.00 C ATOM 1802 C GLY B 49 14.231 21.192 14.867 1.00 0.00 C ATOM 1803 O GLY B 49 13.694 22.011 14.121 1.00 0.00 O ATOM 0 H GLY B 49 14.421 19.435 17.200 1.00 0.00 H new ATOM 0 HA2 GLY B 49 13.393 22.133 16.603 1.00 0.00 H new ATOM 0 HA3 GLY B 49 15.066 21.645 16.790 1.00 0.00 H new ATOM 1807 N ARG B 50 14.917 20.147 14.387 1.00 0.00 N ATOM 1808 CA ARG B 50 15.155 19.904 12.948 1.00 0.00 C ATOM 1809 C ARG B 50 15.113 18.420 12.581 1.00 0.00 C ATOM 1810 O ARG B 50 15.389 17.556 13.417 1.00 0.00 O ATOM 1811 CB ARG B 50 16.502 20.500 12.485 1.00 0.00 C ATOM 1812 CG ARG B 50 16.639 22.018 12.663 1.00 0.00 C ATOM 1813 CD ARG B 50 17.936 22.490 11.994 1.00 0.00 C ATOM 1814 NE ARG B 50 18.069 23.955 12.001 1.00 0.00 N ATOM 1815 CZ ARG B 50 19.115 24.650 11.595 1.00 0.00 C ATOM 1816 NH1 ARG B 50 20.209 24.082 11.169 1.00 0.00 N1+ ATOM 1817 NH2 ARG B 50 19.049 25.943 11.602 1.00 0.00 N ATOM 0 H ARG B 50 15.330 19.435 14.989 1.00 0.00 H new ATOM 0 HA ARG B 50 14.338 20.406 12.430 1.00 0.00 H new ATOM 0 HB2 ARG B 50 17.306 20.011 13.036 1.00 0.00 H new ATOM 0 HB3 ARG B 50 16.645 20.259 11.432 1.00 0.00 H new ATOM 0 HG2 ARG B 50 15.782 22.527 12.221 1.00 0.00 H new ATOM 0 HG3 ARG B 50 16.649 22.272 13.723 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.789 22.048 12.509 1.00 0.00 H new ATOM 0 HD3 ARG B 50 17.963 22.130 10.965 1.00 0.00 H new ATOM 0 HE ARG B 50 17.274 24.487 12.355 1.00 0.00 H new ATOM 0 HH11 ARG B 50 20.278 23.065 11.141 1.00 0.00 H new ATOM 0 HH12 ARG B 50 20.996 24.655 10.864 1.00 0.00 H new ATOM 0 HH21 ARG B 50 18.198 26.409 11.918 1.00 0.00 H new ATOM 0 HH22 ARG B 50 19.848 26.496 11.292 1.00 0.00 H new ATOM 1831 N VAL B 51 14.838 18.149 11.303 1.00 0.00 N ATOM 1832 CA VAL B 51 14.891 16.825 10.658 1.00 0.00 C ATOM 1833 C VAL B 51 15.584 16.959 9.299 1.00 0.00 C ATOM 1834 O VAL B 51 15.222 17.838 8.521 1.00 0.00 O ATOM 1835 CB VAL B 51 13.483 16.212 10.467 1.00 0.00 C ATOM 1836 CG1 VAL B 51 13.576 14.738 10.065 1.00 0.00 C ATOM 1837 CG2 VAL B 51 12.601 16.302 11.721 1.00 0.00 C ATOM 0 H VAL B 51 14.557 18.882 10.652 1.00 0.00 H new ATOM 0 HA VAL B 51 15.452 16.155 11.309 1.00 0.00 H new ATOM 0 HB VAL B 51 13.021 16.805 9.677 1.00 0.00 H new ATOM 0 HG11 VAL B 51 12.573 14.332 9.937 1.00 0.00 H new ATOM 0 HG12 VAL B 51 14.125 14.651 9.127 1.00 0.00 H new ATOM 0 HG13 VAL B 51 14.097 14.181 10.844 1.00 0.00 H new ATOM 0 HG21 VAL B 51 11.629 15.853 11.515 1.00 0.00 H new ATOM 0 HG22 VAL B 51 13.080 15.769 12.542 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.467 17.348 11.997 1.00 0.00 H new ATOM 1847 N ASP B 52 16.553 16.100 8.994 1.00 0.00 N ATOM 1848 CA ASP B 52 17.218 16.008 7.687 1.00 0.00 C ATOM 1849 C ASP B 52 17.244 14.551 7.210 1.00 0.00 C ATOM 1850 O ASP B 52 17.942 13.707 7.778 1.00 0.00 O ATOM 1851 CB ASP B 52 18.641 16.581 7.758 1.00 0.00 C ATOM 1852 CG ASP B 52 19.378 16.378 6.426 1.00 0.00 C ATOM 1853 OD1 ASP B 52 20.409 15.672 6.394 1.00 0.00 O ATOM 1854 OD2 ASP B 52 18.900 16.892 5.392 1.00 0.00 O1- ATOM 0 H ASP B 52 16.912 15.424 9.668 1.00 0.00 H new ATOM 0 HA ASP B 52 16.653 16.600 6.968 1.00 0.00 H new ATOM 0 HB2 ASP B 52 18.598 17.644 7.997 1.00 0.00 H new ATOM 0 HB3 ASP B 52 19.194 16.095 8.562 1.00 0.00 H new ATOM 1859 N LEU B 53 16.487 14.249 6.152 1.00 0.00 N ATOM 1860 CA LEU B 53 16.323 12.896 5.625 1.00 0.00 C ATOM 1861 C LEU B 53 17.484 12.448 4.722 1.00 0.00 C ATOM 1862 O LEU B 53 17.636 11.250 4.473 1.00 0.00 O ATOM 1863 CB LEU B 53 14.972 12.780 4.887 1.00 0.00 C ATOM 1864 CG LEU B 53 13.683 12.924 5.721 1.00 0.00 C ATOM 1865 CD1 LEU B 53 13.705 12.081 6.998 1.00 0.00 C ATOM 1866 CD2 LEU B 53 13.319 14.368 6.094 1.00 0.00 C ATOM 0 H LEU B 53 15.963 14.951 5.630 1.00 0.00 H new ATOM 0 HA LEU B 53 16.332 12.218 6.479 1.00 0.00 H new ATOM 0 HB2 LEU B 53 14.951 13.539 4.105 1.00 0.00 H new ATOM 0 HB3 LEU B 53 14.943 11.810 4.391 1.00 0.00 H new ATOM 0 HG LEU B 53 12.912 12.551 5.046 1.00 0.00 H new ATOM 0 HD11 LEU B 53 12.772 12.223 7.544 1.00 0.00 H new ATOM 0 HD12 LEU B 53 13.816 11.029 6.737 1.00 0.00 H new ATOM 0 HD13 LEU B 53 14.542 12.390 7.624 1.00 0.00 H new ATOM 0 HD21 LEU B 53 12.399 14.372 6.679 1.00 0.00 H new ATOM 0 HD22 LEU B 53 14.125 14.806 6.682 1.00 0.00 H new ATOM 0 HD23 LEU B 53 13.173 14.953 5.186 1.00 0.00 H new ATOM 1878 N ARG B 54 18.331 13.380 4.262 1.00 0.00 N ATOM 1879 CA ARG B 54 19.547 13.093 3.474 1.00 0.00 C ATOM 1880 C ARG B 54 20.615 12.395 4.323 1.00 0.00 C ATOM 1881 O ARG B 54 21.162 11.375 3.904 1.00 0.00 O ATOM 1882 CB ARG B 54 20.094 14.394 2.862 1.00 0.00 C ATOM 1883 CG ARG B 54 19.136 14.987 1.812 1.00 0.00 C ATOM 1884 CD ARG B 54 19.490 16.433 1.446 1.00 0.00 C ATOM 1885 NE ARG B 54 19.273 17.321 2.604 1.00 0.00 N ATOM 1886 CZ ARG B 54 19.044 18.615 2.631 1.00 0.00 C ATOM 1887 NH1 ARG B 54 19.009 19.373 1.571 1.00 0.00 N1+ ATOM 1888 NH2 ARG B 54 18.845 19.149 3.791 1.00 0.00 N ATOM 0 H ARG B 54 18.190 14.376 4.429 1.00 0.00 H new ATOM 0 HA ARG B 54 19.279 12.410 2.668 1.00 0.00 H new ATOM 0 HB2 ARG B 54 20.261 15.124 3.654 1.00 0.00 H new ATOM 0 HB3 ARG B 54 21.062 14.198 2.400 1.00 0.00 H new ATOM 0 HG2 ARG B 54 19.161 14.371 0.913 1.00 0.00 H new ATOM 0 HG3 ARG B 54 18.116 14.952 2.194 1.00 0.00 H new ATOM 0 HD2 ARG B 54 20.530 16.490 1.125 1.00 0.00 H new ATOM 0 HD3 ARG B 54 18.879 16.763 0.606 1.00 0.00 H new ATOM 0 HE ARG B 54 19.305 16.865 3.516 1.00 0.00 H new ATOM 0 HH11 ARG B 54 19.165 18.967 0.648 1.00 0.00 H new ATOM 0 HH12 ARG B 54 18.826 20.372 1.664 1.00 0.00 H new ATOM 0 HH21 ARG B 54 18.870 18.570 4.630 1.00 0.00 H new ATOM 0 HH22 ARG B 54 18.663 20.150 3.867 1.00 0.00 H new ATOM 1902 N SER B 55 20.857 12.899 5.531 1.00 0.00 N ATOM 1903 CA SER B 55 21.738 12.281 6.539 1.00 0.00 C ATOM 1904 C SER B 55 21.013 11.284 7.462 1.00 0.00 C ATOM 1905 O SER B 55 21.661 10.462 8.112 1.00 0.00 O ATOM 1906 CB SER B 55 22.401 13.368 7.403 1.00 0.00 C ATOM 1907 OG SER B 55 22.986 14.397 6.618 1.00 0.00 O ATOM 0 H SER B 55 20.438 13.772 5.852 1.00 0.00 H new ATOM 0 HA SER B 55 22.486 11.720 5.979 1.00 0.00 H new ATOM 0 HB2 SER B 55 21.657 13.802 8.071 1.00 0.00 H new ATOM 0 HB3 SER B 55 23.167 12.913 8.031 1.00 0.00 H new ATOM 0 HG SER B 55 22.300 15.053 6.375 1.00 0.00 H new ATOM 1913 N GLY B 56 19.679 11.362 7.550 1.00 0.00 N ATOM 1914 CA GLY B 56 18.868 10.610 8.513 1.00 0.00 C ATOM 1915 C GLY B 56 18.996 11.127 9.953 1.00 0.00 C ATOM 1916 O GLY B 56 19.064 10.336 10.887 1.00 0.00 O ATOM 0 H GLY B 56 19.123 11.962 6.941 1.00 0.00 H new ATOM 0 HA2 GLY B 56 17.822 10.656 8.210 1.00 0.00 H new ATOM 0 HA3 GLY B 56 19.163 9.561 8.484 1.00 0.00 H new ATOM 1920 N VAL B 57 19.109 12.446 10.137 1.00 0.00 N ATOM 1921 CA VAL B 57 19.406 13.106 11.424 1.00 0.00 C ATOM 1922 C VAL B 57 18.194 13.860 11.984 1.00 0.00 C ATOM 1923 O VAL B 57 17.473 14.533 11.249 1.00 0.00 O ATOM 1924 CB VAL B 57 20.637 14.026 11.289 1.00 0.00 C ATOM 1925 CG1 VAL B 57 20.903 14.905 12.523 1.00 0.00 C ATOM 1926 CG2 VAL B 57 21.902 13.192 11.052 1.00 0.00 C ATOM 0 H VAL B 57 18.993 13.111 9.372 1.00 0.00 H new ATOM 0 HA VAL B 57 19.642 12.325 12.147 1.00 0.00 H new ATOM 0 HB VAL B 57 20.408 14.678 10.446 1.00 0.00 H new ATOM 0 HG11 VAL B 57 21.785 15.521 12.347 1.00 0.00 H new ATOM 0 HG12 VAL B 57 20.041 15.547 12.705 1.00 0.00 H new ATOM 0 HG13 VAL B 57 21.072 14.270 13.393 1.00 0.00 H new ATOM 0 HG21 VAL B 57 22.762 13.855 10.959 1.00 0.00 H new ATOM 0 HG22 VAL B 57 22.055 12.515 11.893 1.00 0.00 H new ATOM 0 HG23 VAL B 57 21.789 12.612 10.136 1.00 0.00 H new ATOM 1936 N ILE B 58 17.998 13.777 13.298 1.00 0.00 N ATOM 1937 CA ILE B 58 17.033 14.565 14.079 1.00 0.00 C ATOM 1938 C ILE B 58 17.806 15.380 15.125 1.00 0.00 C ATOM 1939 O ILE B 58 18.606 14.816 15.875 1.00 0.00 O ATOM 1940 CB ILE B 58 15.986 13.619 14.718 1.00 0.00 C ATOM 1941 CG1 ILE B 58 15.058 13.066 13.612 1.00 0.00 C ATOM 1942 CG2 ILE B 58 15.178 14.297 15.838 1.00 0.00 C ATOM 1943 CD1 ILE B 58 14.095 11.975 14.076 1.00 0.00 C ATOM 0 H ILE B 58 18.530 13.130 13.879 1.00 0.00 H new ATOM 0 HA ILE B 58 16.486 15.261 13.443 1.00 0.00 H new ATOM 0 HB ILE B 58 16.520 12.796 15.193 1.00 0.00 H new ATOM 0 HG12 ILE B 58 14.479 13.891 13.196 1.00 0.00 H new ATOM 0 HG13 ILE B 58 15.673 12.670 12.804 1.00 0.00 H new ATOM 0 HG21 ILE B 58 14.460 13.588 16.249 1.00 0.00 H new ATOM 0 HG22 ILE B 58 15.855 14.627 16.626 1.00 0.00 H new ATOM 0 HG23 ILE B 58 14.646 15.158 15.433 1.00 0.00 H new ATOM 0 HD11 ILE B 58 13.484 11.647 13.235 1.00 0.00 H new ATOM 0 HD12 ILE B 58 14.663 11.129 14.463 1.00 0.00 H new ATOM 0 HD13 ILE B 58 13.450 12.369 14.861 1.00 0.00 H new ATOM 1955 N SER B 59 17.565 16.690 15.195 1.00 0.00 N ATOM 1956 CA SER B 59 18.228 17.600 16.139 1.00 0.00 C ATOM 1957 C SER B 59 17.230 18.170 17.144 1.00 0.00 C ATOM 1958 O SER B 59 16.195 18.717 16.752 1.00 0.00 O ATOM 1959 CB SER B 59 18.909 18.756 15.400 1.00 0.00 C ATOM 1960 OG SER B 59 19.820 18.301 14.412 1.00 0.00 O ATOM 0 H SER B 59 16.893 17.159 14.588 1.00 0.00 H new ATOM 0 HA SER B 59 18.981 17.020 16.671 1.00 0.00 H new ATOM 0 HB2 SER B 59 18.150 19.382 14.931 1.00 0.00 H new ATOM 0 HB3 SER B 59 19.438 19.382 16.118 1.00 0.00 H new ATOM 0 HG SER B 59 20.229 19.071 13.965 1.00 0.00 H new ATOM 1966 N LEU B 60 17.539 18.066 18.436 1.00 0.00 N ATOM 1967 CA LEU B 60 16.725 18.626 19.523 1.00 0.00 C ATOM 1968 C LEU B 60 17.206 20.023 19.957 1.00 0.00 C ATOM 1969 O LEU B 60 18.393 20.349 19.856 1.00 0.00 O ATOM 1970 CB LEU B 60 16.660 17.651 20.712 1.00 0.00 C ATOM 1971 CG LEU B 60 16.284 16.193 20.373 1.00 0.00 C ATOM 1972 CD1 LEU B 60 16.088 15.404 21.668 1.00 0.00 C ATOM 1973 CD2 LEU B 60 14.992 16.085 19.553 1.00 0.00 C ATOM 0 H LEU B 60 18.375 17.583 18.766 1.00 0.00 H new ATOM 0 HA LEU B 60 15.714 18.758 19.137 1.00 0.00 H new ATOM 0 HB2 LEU B 60 17.631 17.649 21.208 1.00 0.00 H new ATOM 0 HB3 LEU B 60 15.936 18.034 21.431 1.00 0.00 H new ATOM 0 HG LEU B 60 17.101 15.790 19.775 1.00 0.00 H new ATOM 0 HD11 LEU B 60 15.822 14.374 21.430 1.00 0.00 H new ATOM 0 HD12 LEU B 60 17.013 15.416 22.245 1.00 0.00 H new ATOM 0 HD13 LEU B 60 15.289 15.859 22.254 1.00 0.00 H new ATOM 0 HD21 LEU B 60 14.779 15.036 19.345 1.00 0.00 H new ATOM 0 HD22 LEU B 60 14.166 16.518 20.117 1.00 0.00 H new ATOM 0 HD23 LEU B 60 15.112 16.624 18.613 1.00 0.00 H new ATOM 1985 N ILE B 61 16.274 20.831 20.475 1.00 0.00 N ATOM 1986 CA ILE B 61 16.476 22.213 20.964 1.00 0.00 C ATOM 1987 C ILE B 61 15.752 22.429 22.298 1.00 0.00 C ATOM 1988 O ILE B 61 14.900 21.631 22.685 1.00 0.00 O ATOM 1989 CB ILE B 61 16.049 23.248 19.883 1.00 0.00 C ATOM 1990 CG1 ILE B 61 14.601 23.121 19.354 1.00 0.00 C ATOM 1991 CG2 ILE B 61 17.024 23.191 18.694 1.00 0.00 C ATOM 1992 CD1 ILE B 61 13.527 23.735 20.262 1.00 0.00 C ATOM 0 H ILE B 61 15.305 20.529 20.573 1.00 0.00 H new ATOM 0 HA ILE B 61 17.539 22.367 21.150 1.00 0.00 H new ATOM 0 HB ILE B 61 16.083 24.208 20.397 1.00 0.00 H new ATOM 0 HG12 ILE B 61 14.544 23.597 18.375 1.00 0.00 H new ATOM 0 HG13 ILE B 61 14.374 22.065 19.209 1.00 0.00 H new ATOM 0 HG21 ILE B 61 16.721 23.917 17.940 1.00 0.00 H new ATOM 0 HG22 ILE B 61 18.032 23.424 19.038 1.00 0.00 H new ATOM 0 HG23 ILE B 61 17.011 22.191 18.260 1.00 0.00 H new ATOM 0 HD11 ILE B 61 12.545 23.597 19.809 1.00 0.00 H new ATOM 0 HD12 ILE B 61 13.549 23.244 21.235 1.00 0.00 H new ATOM 0 HD13 ILE B 61 13.722 24.800 20.388 1.00 0.00 H new ATOM 2004 N GLU B 62 16.078 23.495 23.034 1.00 0.00 N ATOM 2005 CA GLU B 62 15.410 23.816 24.308 1.00 0.00 C ATOM 2006 C GLU B 62 13.959 24.289 24.102 1.00 0.00 C ATOM 2007 O GLU B 62 13.690 25.165 23.279 1.00 0.00 O ATOM 2008 CB GLU B 62 16.208 24.859 25.101 1.00 0.00 C ATOM 2009 CG GLU B 62 17.588 24.354 25.546 1.00 0.00 C ATOM 2010 CD GLU B 62 18.323 25.372 26.444 1.00 0.00 C ATOM 2011 OE1 GLU B 62 18.261 26.600 26.177 1.00 0.00 O ATOM 2012 OE2 GLU B 62 18.994 24.949 27.419 1.00 0.00 O1- ATOM 0 H GLU B 62 16.806 24.158 22.770 1.00 0.00 H new ATOM 0 HA GLU B 62 15.373 22.892 24.886 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.335 25.752 24.489 1.00 0.00 H new ATOM 0 HB3 GLU B 62 15.635 25.154 25.980 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.472 23.414 26.086 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.196 24.143 24.666 1.00 0.00 H new ATOM 2019 N GLU B 63 13.011 23.732 24.869 1.00 0.00 N ATOM 2020 CA GLU B 63 11.566 24.019 24.740 1.00 0.00 C ATOM 2021 C GLU B 63 11.147 25.417 25.246 1.00 0.00 C ATOM 2022 O GLU B 63 10.127 25.953 24.803 1.00 0.00 O ATOM 2023 CB GLU B 63 10.761 22.890 25.410 1.00 0.00 C ATOM 2024 CG GLU B 63 10.858 22.799 26.944 1.00 0.00 C ATOM 2025 CD GLU B 63 9.731 23.515 27.714 1.00 0.00 C ATOM 2026 OE1 GLU B 63 10.021 24.094 28.788 1.00 0.00 O ATOM 2027 OE2 GLU B 63 8.550 23.473 27.301 1.00 0.00 O1- ATOM 0 H GLU B 63 13.224 23.061 25.607 1.00 0.00 H new ATOM 0 HA GLU B 63 11.336 24.047 23.675 1.00 0.00 H new ATOM 0 HB2 GLU B 63 9.712 23.012 25.140 1.00 0.00 H new ATOM 0 HB3 GLU B 63 11.090 21.940 24.990 1.00 0.00 H new ATOM 0 HG2 GLU B 63 10.861 21.747 27.231 1.00 0.00 H new ATOM 0 HG3 GLU B 63 11.814 23.218 27.258 1.00 0.00 H new