USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=12 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 Set 1.1: B 5 LYS NZ :NH3+ 171:sc= 0.887 (180deg=0.491) USER MOD Set 1.2: B 55 SER OG : rot -137:sc= 0.532 USER MOD Single : A 5 LYS NZ :NH3+ 154:sc= 1.14 (180deg=0.297) USER MOD Single : A 34 THR OG1 : rot -140:sc= 0.974 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.0217 X(o=-0.022,f=-0.022) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl -122:sc= 0 (180deg=-0.244) USER MOD Single : B 9 THR OG1 : rot 130:sc= 0.866 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=-0.00543 X(o=-0.0054,f=-0.0054) USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N ALA A 4 10.277 11.957 3.408 1.00 0.00 N ATOM 88 CA ALA A 4 9.305 12.176 4.481 1.00 0.00 C ATOM 89 C ALA A 4 8.063 12.946 4.000 1.00 0.00 C ATOM 90 O ALA A 4 8.116 13.681 3.010 1.00 0.00 O ATOM 91 CB ALA A 4 9.962 12.932 5.639 1.00 0.00 C ATOM 0 HA ALA A 4 8.973 11.194 4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.231 13.090 6.432 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.797 12.349 6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.326 13.896 5.284 1.00 0.00 H new ATOM 97 N LYS A 5 6.976 12.798 4.762 1.00 0.00 N ATOM 98 CA LYS A 5 5.754 13.616 4.704 1.00 0.00 C ATOM 99 C LYS A 5 5.690 14.549 5.917 1.00 0.00 C ATOM 100 O LYS A 5 5.806 14.087 7.049 1.00 0.00 O ATOM 101 CB LYS A 5 4.539 12.669 4.614 1.00 0.00 C ATOM 102 CG LYS A 5 3.194 13.325 4.978 1.00 0.00 C ATOM 103 CD LYS A 5 2.021 12.363 4.744 1.00 0.00 C ATOM 104 CE LYS A 5 0.794 12.821 5.533 1.00 0.00 C ATOM 105 NZ LYS A 5 -0.404 12.008 5.193 1.00 0.00 N1+ ATOM 0 H LYS A 5 6.918 12.069 5.473 1.00 0.00 H new ATOM 0 HA LYS A 5 5.753 14.256 3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.475 12.275 3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.706 11.819 5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.210 13.635 6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.053 14.226 4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.783 12.320 3.681 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.302 11.355 5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.997 12.744 6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.595 13.872 5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.066 12.014 5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.871 12.411 4.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.114 11.030 4.991 1.00 0.00 H new ATOM 119 N VAL A 6 5.438 15.838 5.691 1.00 0.00 N ATOM 120 CA VAL A 6 5.055 16.810 6.732 1.00 0.00 C ATOM 121 C VAL A 6 3.537 17.006 6.702 1.00 0.00 C ATOM 122 O VAL A 6 2.944 17.069 5.622 1.00 0.00 O ATOM 123 CB VAL A 6 5.815 18.145 6.564 1.00 0.00 C ATOM 124 CG1 VAL A 6 5.318 19.254 7.497 1.00 0.00 C ATOM 125 CG2 VAL A 6 7.312 17.967 6.831 1.00 0.00 C ATOM 0 H VAL A 6 5.494 16.252 4.760 1.00 0.00 H new ATOM 0 HA VAL A 6 5.336 16.420 7.710 1.00 0.00 H new ATOM 0 HB VAL A 6 5.628 18.442 5.532 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.897 20.161 7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.265 19.452 7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.439 18.939 8.533 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.820 18.923 6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.460 17.609 7.850 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.723 17.242 6.128 1.00 0.00 H new ATOM 135 N VAL A 7 2.895 17.091 7.872 1.00 0.00 N ATOM 136 CA VAL A 7 1.433 17.247 8.007 1.00 0.00 C ATOM 137 C VAL A 7 1.031 18.224 9.120 1.00 0.00 C ATOM 138 O VAL A 7 1.612 18.239 10.211 1.00 0.00 O ATOM 139 CB VAL A 7 0.742 15.870 8.132 1.00 0.00 C ATOM 140 CG1 VAL A 7 1.179 15.071 9.367 1.00 0.00 C ATOM 141 CG2 VAL A 7 -0.785 15.982 8.166 1.00 0.00 C ATOM 0 H VAL A 7 3.379 17.053 8.769 1.00 0.00 H new ATOM 0 HA VAL A 7 1.072 17.709 7.088 1.00 0.00 H new ATOM 0 HB VAL A 7 1.061 15.338 7.236 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.653 14.117 9.388 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.253 14.892 9.323 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.942 15.636 10.268 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.221 14.987 8.255 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.086 16.588 9.021 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.136 16.451 7.247 1.00 0.00 H new ATOM 151 N LEU A 8 0.013 19.038 8.823 1.00 0.00 N ATOM 152 CA LEU A 8 -0.636 20.004 9.713 1.00 0.00 C ATOM 153 C LEU A 8 -2.122 20.163 9.334 1.00 0.00 C ATOM 154 O LEU A 8 -2.543 19.754 8.247 1.00 0.00 O ATOM 155 CB LEU A 8 0.163 21.340 9.732 1.00 0.00 C ATOM 156 CG LEU A 8 0.230 22.257 8.491 1.00 0.00 C ATOM 157 CD1 LEU A 8 0.860 21.580 7.281 1.00 0.00 C ATOM 158 CD2 LEU A 8 -1.098 22.942 8.152 1.00 0.00 C ATOM 0 H LEU A 8 -0.407 19.039 7.893 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.627 19.636 10.739 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.241 21.940 10.548 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.190 21.091 9.998 1.00 0.00 H new ATOM 0 HG LEU A 8 0.906 23.062 8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.878 22.276 6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.879 21.277 7.523 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.275 20.701 7.010 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.969 23.568 7.269 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.857 22.186 7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.413 23.560 8.992 1.00 0.00 H new ATOM 266 N VAL A 16 -3.213 20.130 5.406 1.00 0.00 N ATOM 267 CA VAL A 16 -2.132 20.343 4.433 1.00 0.00 C ATOM 268 C VAL A 16 -1.129 19.200 4.590 1.00 0.00 C ATOM 269 O VAL A 16 -0.798 18.794 5.706 1.00 0.00 O ATOM 270 CB VAL A 16 -1.500 21.741 4.619 1.00 0.00 C ATOM 271 CG1 VAL A 16 -0.134 21.933 3.949 1.00 0.00 C ATOM 272 CG2 VAL A 16 -2.441 22.847 4.126 1.00 0.00 C ATOM 0 HA VAL A 16 -2.512 20.329 3.412 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.339 21.812 5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.225 22.945 4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.576 21.214 4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.230 21.776 2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.968 23.818 4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.652 22.700 3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.373 22.810 4.690 1.00 0.00 H new ATOM 282 N GLU A 17 -0.665 18.653 3.465 1.00 0.00 N ATOM 283 CA GLU A 17 0.276 17.524 3.410 1.00 0.00 C ATOM 284 C GLU A 17 1.355 17.783 2.352 1.00 0.00 C ATOM 285 O GLU A 17 1.052 18.174 1.218 1.00 0.00 O ATOM 286 CB GLU A 17 -0.466 16.206 3.127 1.00 0.00 C ATOM 287 CG GLU A 17 -1.468 15.834 4.231 1.00 0.00 C ATOM 288 CD GLU A 17 -2.184 14.495 3.997 1.00 0.00 C ATOM 289 OE1 GLU A 17 -1.664 13.611 3.273 1.00 0.00 O ATOM 290 OE2 GLU A 17 -3.257 14.277 4.613 1.00 0.00 O1- ATOM 0 H GLU A 17 -0.938 18.989 2.541 1.00 0.00 H new ATOM 0 HA GLU A 17 0.762 17.431 4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.994 16.289 2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.262 15.402 3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.943 15.792 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.214 16.624 4.312 1.00 0.00 H new ATOM 297 N ILE A 18 2.621 17.589 2.731 1.00 0.00 N ATOM 298 CA ILE A 18 3.801 17.947 1.929 1.00 0.00 C ATOM 299 C ILE A 18 4.707 16.718 1.835 1.00 0.00 C ATOM 300 O ILE A 18 5.342 16.347 2.823 1.00 0.00 O ATOM 301 CB ILE A 18 4.546 19.153 2.550 1.00 0.00 C ATOM 302 CG1 ILE A 18 3.622 20.361 2.829 1.00 0.00 C ATOM 303 CG2 ILE A 18 5.735 19.573 1.658 1.00 0.00 C ATOM 304 CD1 ILE A 18 4.259 21.402 3.748 1.00 0.00 C ATOM 0 H ILE A 18 2.863 17.167 3.628 1.00 0.00 H new ATOM 0 HA ILE A 18 3.494 18.250 0.928 1.00 0.00 H new ATOM 0 HB ILE A 18 4.921 18.821 3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.356 20.834 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.695 20.006 3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.247 20.422 2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.430 18.739 1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.368 19.854 0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.561 22.224 3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.500 20.942 4.706 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.171 21.783 3.289 1.00 0.00 H new ATOM 316 N GLY A 19 4.738 16.076 0.668 1.00 0.00 N ATOM 317 CA GLY A 19 5.576 14.908 0.398 1.00 0.00 C ATOM 318 C GLY A 19 6.986 15.235 -0.112 1.00 0.00 C ATOM 319 O GLY A 19 7.288 16.378 -0.473 1.00 0.00 O ATOM 0 H GLY A 19 4.171 16.358 -0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.662 14.320 1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.074 14.280 -0.338 1.00 0.00 H new ATOM 323 N ASP A 20 7.838 14.212 -0.164 1.00 0.00 N ATOM 324 CA ASP A 20 9.197 14.244 -0.736 1.00 0.00 C ATOM 325 C ASP A 20 10.126 15.294 -0.080 1.00 0.00 C ATOM 326 O ASP A 20 10.966 15.932 -0.729 1.00 0.00 O ATOM 327 CB ASP A 20 9.153 14.304 -2.275 1.00 0.00 C ATOM 328 CG ASP A 20 8.264 13.242 -2.945 1.00 0.00 C ATOM 329 OD1 ASP A 20 8.023 12.159 -2.356 1.00 0.00 O ATOM 330 OD2 ASP A 20 7.825 13.471 -4.102 1.00 0.00 O1- ATOM 0 H ASP A 20 7.595 13.293 0.207 1.00 0.00 H new ATOM 0 HA ASP A 20 9.673 13.297 -0.481 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.801 15.291 -2.575 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.169 14.198 -2.656 1.00 0.00 H new ATOM 335 N VAL A 21 9.952 15.483 1.234 1.00 0.00 N ATOM 336 CA VAL A 21 10.682 16.455 2.067 1.00 0.00 C ATOM 337 C VAL A 21 12.120 16.004 2.337 1.00 0.00 C ATOM 338 O VAL A 21 12.354 14.872 2.774 1.00 0.00 O ATOM 339 CB VAL A 21 9.912 16.696 3.380 1.00 0.00 C ATOM 340 CG1 VAL A 21 10.683 17.572 4.368 1.00 0.00 C ATOM 341 CG2 VAL A 21 8.576 17.392 3.074 1.00 0.00 C ATOM 0 H VAL A 21 9.273 14.943 1.770 1.00 0.00 H new ATOM 0 HA VAL A 21 10.748 17.396 1.521 1.00 0.00 H new ATOM 0 HB VAL A 21 9.760 15.718 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.091 17.707 5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.628 17.091 4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.880 18.544 3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.033 17.562 4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.767 18.348 2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.979 16.761 2.415 1.00 0.00 H new ATOM 351 N LEU A 22 13.077 16.913 2.113 1.00 0.00 N ATOM 352 CA LEU A 22 14.508 16.726 2.383 1.00 0.00 C ATOM 353 C LEU A 22 14.971 17.361 3.708 1.00 0.00 C ATOM 354 O LEU A 22 15.958 16.899 4.282 1.00 0.00 O ATOM 355 CB LEU A 22 15.336 17.311 1.227 1.00 0.00 C ATOM 356 CG LEU A 22 15.160 16.626 -0.143 1.00 0.00 C ATOM 357 CD1 LEU A 22 16.117 17.292 -1.136 1.00 0.00 C ATOM 358 CD2 LEU A 22 15.462 15.128 -0.107 1.00 0.00 C ATOM 0 H LEU A 22 12.868 17.833 1.724 1.00 0.00 H new ATOM 0 HA LEU A 22 14.666 15.651 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.080 18.365 1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 22 16.390 17.265 1.501 1.00 0.00 H new ATOM 0 HG LEU A 22 14.116 16.738 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.010 16.823 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.880 18.353 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.143 17.174 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.320 14.704 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.493 14.972 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.788 14.638 0.596 1.00 0.00 H new ATOM 370 N GLU A 23 14.293 18.399 4.209 1.00 0.00 N ATOM 371 CA GLU A 23 14.707 19.092 5.433 1.00 0.00 C ATOM 372 C GLU A 23 13.534 19.833 6.089 1.00 0.00 C ATOM 373 O GLU A 23 12.707 20.423 5.394 1.00 0.00 O ATOM 374 CB GLU A 23 15.853 20.059 5.094 1.00 0.00 C ATOM 375 CG GLU A 23 16.530 20.670 6.328 1.00 0.00 C ATOM 376 CD GLU A 23 17.660 21.639 5.932 1.00 0.00 C ATOM 377 OE1 GLU A 23 17.844 22.663 6.634 1.00 0.00 O ATOM 378 OE2 GLU A 23 18.338 21.439 4.895 1.00 0.00 O1- ATOM 0 H GLU A 23 13.449 18.780 3.782 1.00 0.00 H new ATOM 0 HA GLU A 23 15.054 18.355 6.157 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.602 19.529 4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.465 20.863 4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.788 21.200 6.926 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.935 19.874 6.953 1.00 0.00 H new ATOM 385 N VAL A 24 13.489 19.834 7.428 1.00 0.00 N ATOM 386 CA VAL A 24 12.515 20.577 8.254 1.00 0.00 C ATOM 387 C VAL A 24 13.235 21.280 9.409 1.00 0.00 C ATOM 388 O VAL A 24 14.159 20.716 10.000 1.00 0.00 O ATOM 389 CB VAL A 24 11.404 19.654 8.799 1.00 0.00 C ATOM 390 CG1 VAL A 24 10.333 20.422 9.588 1.00 0.00 C ATOM 391 CG2 VAL A 24 10.683 18.913 7.675 1.00 0.00 C ATOM 0 H VAL A 24 14.151 19.300 7.990 1.00 0.00 H new ATOM 0 HA VAL A 24 12.039 21.323 7.617 1.00 0.00 H new ATOM 0 HB VAL A 24 11.918 18.953 9.457 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.577 19.725 9.948 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.797 20.924 10.437 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.865 21.163 8.940 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.909 18.274 8.099 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.227 19.635 6.997 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.398 18.301 7.125 1.00 0.00 H new ATOM 401 N ARG A 25 12.796 22.494 9.764 1.00 0.00 N ATOM 402 CA ARG A 25 13.311 23.301 10.889 1.00 0.00 C ATOM 403 C ARG A 25 12.156 23.900 11.696 1.00 0.00 C ATOM 404 O ARG A 25 11.168 24.336 11.102 1.00 0.00 O ATOM 405 CB ARG A 25 14.265 24.430 10.417 1.00 0.00 C ATOM 406 CG ARG A 25 15.205 24.120 9.232 1.00 0.00 C ATOM 407 CD ARG A 25 14.538 24.402 7.877 1.00 0.00 C ATOM 408 NE ARG A 25 15.439 24.145 6.743 1.00 0.00 N ATOM 409 CZ ARG A 25 15.116 24.187 5.464 1.00 0.00 C ATOM 410 NH1 ARG A 25 13.920 24.463 5.041 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 16.004 23.921 4.557 1.00 0.00 N ATOM 0 H ARG A 25 12.044 22.963 9.260 1.00 0.00 H new ATOM 0 HA ARG A 25 13.886 22.627 11.524 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.657 25.293 10.147 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.881 24.727 11.266 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.111 24.720 9.322 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.510 23.074 9.275 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.647 23.781 7.778 1.00 0.00 H new ATOM 0 HD3 ARG A 25 14.208 25.440 7.847 1.00 0.00 H new ATOM 0 HE ARG A 25 16.406 23.912 6.967 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.176 24.661 5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.725 24.482 4.040 1.00 0.00 H new ATOM 0 HH21 ARG A 25 16.956 23.678 4.831 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.750 23.955 3.570 1.00 0.00 H new ATOM 425 N ALA A 26 12.292 23.974 13.014 1.00 0.00 N ATOM 426 CA ALA A 26 11.455 24.802 13.881 1.00 0.00 C ATOM 427 C ALA A 26 12.244 26.058 14.302 1.00 0.00 C ATOM 428 O ALA A 26 13.251 25.953 15.008 1.00 0.00 O ATOM 429 CB ALA A 26 10.983 23.963 15.076 1.00 0.00 C ATOM 0 H ALA A 26 13.003 23.449 13.524 1.00 0.00 H new ATOM 0 HA ALA A 26 10.564 25.144 13.355 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.358 24.575 15.726 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.407 23.110 14.717 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.848 23.607 15.635 1.00 0.00 H new ATOM 464 N ALA A 30 7.849 29.613 13.728 1.00 0.00 N ATOM 465 CA ALA A 30 7.362 28.981 12.504 1.00 0.00 C ATOM 466 C ALA A 30 8.050 27.630 12.252 1.00 0.00 C ATOM 467 O ALA A 30 9.199 27.427 12.648 1.00 0.00 O ATOM 468 CB ALA A 30 7.604 29.942 11.330 1.00 0.00 C ATOM 0 HA ALA A 30 6.296 28.778 12.607 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.246 29.486 10.407 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.067 30.874 11.506 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.671 30.149 11.243 1.00 0.00 H new ATOM 474 N VAL A 31 7.380 26.733 11.518 1.00 0.00 N ATOM 475 CA VAL A 31 8.030 25.554 10.917 1.00 0.00 C ATOM 476 C VAL A 31 8.338 25.817 9.450 1.00 0.00 C ATOM 477 O VAL A 31 7.560 26.466 8.751 1.00 0.00 O ATOM 478 CB VAL A 31 7.234 24.261 11.138 1.00 0.00 C ATOM 479 CG1 VAL A 31 7.794 23.066 10.350 1.00 0.00 C ATOM 480 CG2 VAL A 31 7.307 23.913 12.630 1.00 0.00 C ATOM 0 H VAL A 31 6.381 26.799 11.323 1.00 0.00 H new ATOM 0 HA VAL A 31 8.977 25.392 11.432 1.00 0.00 H new ATOM 0 HB VAL A 31 6.216 24.438 10.792 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.187 22.183 10.549 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.770 23.290 9.284 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.822 22.877 10.658 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.749 22.996 12.817 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.348 23.770 12.920 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.876 24.726 13.215 1.00 0.00 H new ATOM 490 N ARG A 32 9.500 25.349 8.984 1.00 0.00 N ATOM 491 CA ARG A 32 10.088 25.674 7.677 1.00 0.00 C ATOM 492 C ARG A 32 10.549 24.385 6.987 1.00 0.00 C ATOM 493 O ARG A 32 11.105 23.514 7.655 1.00 0.00 O ATOM 494 CB ARG A 32 11.238 26.688 7.879 1.00 0.00 C ATOM 495 CG ARG A 32 10.807 27.924 8.690 1.00 0.00 C ATOM 496 CD ARG A 32 11.958 28.906 8.931 1.00 0.00 C ATOM 497 NE ARG A 32 11.582 29.898 9.964 1.00 0.00 N ATOM 498 CZ ARG A 32 11.540 31.215 9.865 1.00 0.00 C ATOM 499 NH1 ARG A 32 11.871 31.858 8.781 1.00 0.00 N1+ ATOM 500 NH2 ARG A 32 11.170 31.910 10.896 1.00 0.00 N ATOM 0 H ARG A 32 10.080 24.709 9.526 1.00 0.00 H new ATOM 0 HA ARG A 32 9.350 26.140 7.024 1.00 0.00 H new ATOM 0 HB2 ARG A 32 12.066 26.195 8.389 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.609 27.009 6.906 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.002 28.437 8.163 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.404 27.601 9.650 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.848 28.362 9.247 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.209 29.417 8.002 1.00 0.00 H new ATOM 0 HE ARG A 32 11.321 29.514 10.872 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.180 31.343 7.957 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.821 32.876 8.757 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.917 31.439 11.765 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.132 32.928 10.838 1.00 0.00 H new ATOM 514 N VAL A 33 10.333 24.244 5.678 1.00 0.00 N ATOM 515 CA VAL A 33 10.466 22.954 4.948 1.00 0.00 C ATOM 516 C VAL A 33 11.156 23.134 3.592 1.00 0.00 C ATOM 517 O VAL A 33 10.951 24.147 2.920 1.00 0.00 O ATOM 518 CB VAL A 33 9.091 22.269 4.758 1.00 0.00 C ATOM 519 CG1 VAL A 33 9.187 20.847 4.197 1.00 0.00 C ATOM 520 CG2 VAL A 33 8.270 22.185 6.055 1.00 0.00 C ATOM 0 H VAL A 33 10.058 25.021 5.077 1.00 0.00 H new ATOM 0 HA VAL A 33 11.093 22.309 5.564 1.00 0.00 H new ATOM 0 HB VAL A 33 8.591 22.917 4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.186 20.430 4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.675 20.872 3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.769 20.226 4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.318 21.694 5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.823 21.611 6.799 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.086 23.190 6.435 1.00 0.00 H new ATOM 530 N THR A 34 11.929 22.126 3.165 1.00 0.00 N ATOM 531 CA THR A 34 12.555 22.037 1.827 1.00 0.00 C ATOM 532 C THR A 34 12.321 20.654 1.205 1.00 0.00 C ATOM 533 O THR A 34 12.365 19.639 1.900 1.00 0.00 O ATOM 534 CB THR A 34 14.060 22.357 1.893 1.00 0.00 C ATOM 535 OG1 THR A 34 14.239 23.701 2.280 1.00 0.00 O ATOM 536 CG2 THR A 34 14.825 22.184 0.579 1.00 0.00 C ATOM 0 H THR A 34 12.146 21.323 3.755 1.00 0.00 H new ATOM 0 HA THR A 34 12.082 22.783 1.189 1.00 0.00 H new ATOM 0 HB THR A 34 14.459 21.637 2.607 1.00 0.00 H new ATOM 0 HG1 THR A 34 14.973 24.095 1.764 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.875 22.434 0.733 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.744 21.150 0.244 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.402 22.845 -0.178 1.00 0.00 H new ATOM 544 N THR A 35 12.095 20.596 -0.111 1.00 0.00 N ATOM 545 CA THR A 35 11.785 19.374 -0.896 1.00 0.00 C ATOM 546 C THR A 35 12.781 19.170 -2.046 1.00 0.00 C ATOM 547 O THR A 35 13.534 20.082 -2.401 1.00 0.00 O ATOM 548 CB THR A 35 10.353 19.427 -1.463 1.00 0.00 C ATOM 549 OG1 THR A 35 10.244 20.505 -2.375 1.00 0.00 O ATOM 550 CG2 THR A 35 9.284 19.620 -0.383 1.00 0.00 C ATOM 0 H THR A 35 12.122 21.432 -0.694 1.00 0.00 H new ATOM 0 HA THR A 35 11.868 18.531 -0.211 1.00 0.00 H new ATOM 0 HB THR A 35 10.179 18.466 -1.947 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.334 20.537 -2.736 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.298 19.649 -0.848 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.328 18.792 0.324 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.464 20.557 0.144 1.00 0.00 H new ATOM 558 N LEU A 36 12.784 17.978 -2.669 1.00 0.00 N ATOM 559 CA LEU A 36 13.637 17.673 -3.833 1.00 0.00 C ATOM 560 C LEU A 36 13.321 18.477 -5.117 1.00 0.00 C ATOM 561 O LEU A 36 14.079 18.407 -6.089 1.00 0.00 O ATOM 562 CB LEU A 36 13.712 16.152 -4.096 1.00 0.00 C ATOM 563 CG LEU A 36 12.394 15.364 -4.245 1.00 0.00 C ATOM 564 CD1 LEU A 36 11.343 15.986 -5.163 1.00 0.00 C ATOM 565 CD2 LEU A 36 12.709 13.972 -4.793 1.00 0.00 C ATOM 0 H LEU A 36 12.194 17.198 -2.380 1.00 0.00 H new ATOM 0 HA LEU A 36 14.630 18.022 -3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.293 16.001 -5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 36 14.277 15.702 -3.279 1.00 0.00 H new ATOM 0 HG LEU A 36 11.962 15.355 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.461 15.347 -5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.066 16.970 -4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.751 16.086 -6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.784 13.406 -4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.195 14.065 -5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.373 13.451 -4.103 1.00 0.00 H new ATOM 577 N PHE A 37 12.248 19.275 -5.128 1.00 0.00 N ATOM 578 CA PHE A 37 11.936 20.243 -6.192 1.00 0.00 C ATOM 579 C PHE A 37 12.763 21.547 -6.080 1.00 0.00 C ATOM 580 O PHE A 37 12.567 22.474 -6.867 1.00 0.00 O ATOM 581 CB PHE A 37 10.427 20.521 -6.189 1.00 0.00 C ATOM 582 CG PHE A 37 9.555 19.282 -6.327 1.00 0.00 C ATOM 583 CD1 PHE A 37 8.740 18.858 -5.258 1.00 0.00 C ATOM 584 CD2 PHE A 37 9.574 18.536 -7.522 1.00 0.00 C ATOM 585 CE1 PHE A 37 7.960 17.694 -5.380 1.00 0.00 C ATOM 586 CE2 PHE A 37 8.787 17.376 -7.648 1.00 0.00 C ATOM 587 CZ PHE A 37 7.986 16.951 -6.573 1.00 0.00 C ATOM 0 H PHE A 37 11.554 19.268 -4.381 1.00 0.00 H new ATOM 0 HA PHE A 37 12.221 19.804 -7.148 1.00 0.00 H new ATOM 0 HB2 PHE A 37 10.167 21.031 -5.262 1.00 0.00 H new ATOM 0 HB3 PHE A 37 10.195 21.205 -7.005 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.714 19.429 -4.342 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.195 18.856 -8.345 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.341 17.371 -4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.798 16.813 -8.569 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.391 16.054 -6.664 1.00 0.00 H new ATOM 597 N ASP A 38 13.673 21.631 -5.103 1.00 0.00 N ATOM 598 CA ASP A 38 14.426 22.834 -4.700 1.00 0.00 C ATOM 599 C ASP A 38 13.540 23.997 -4.197 1.00 0.00 C ATOM 600 O ASP A 38 13.992 25.136 -4.090 1.00 0.00 O ATOM 601 CB ASP A 38 15.465 23.257 -5.763 1.00 0.00 C ATOM 602 CG ASP A 38 16.413 22.134 -6.214 1.00 0.00 C ATOM 603 OD1 ASP A 38 16.838 22.144 -7.397 1.00 0.00 O ATOM 604 OD2 ASP A 38 16.778 21.252 -5.396 1.00 0.00 O1- ATOM 0 H ASP A 38 13.921 20.819 -4.538 1.00 0.00 H new ATOM 0 HA ASP A 38 14.996 22.542 -3.818 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.937 23.641 -6.636 1.00 0.00 H new ATOM 0 HB3 ASP A 38 16.060 24.078 -5.364 1.00 0.00 H new ATOM 609 N GLU A 39 12.280 23.706 -3.859 1.00 0.00 N ATOM 610 CA GLU A 39 11.352 24.658 -3.241 1.00 0.00 C ATOM 611 C GLU A 39 11.582 24.818 -1.732 1.00 0.00 C ATOM 612 O GLU A 39 12.117 23.943 -1.048 1.00 0.00 O ATOM 613 CB GLU A 39 9.897 24.234 -3.499 1.00 0.00 C ATOM 614 CG GLU A 39 9.457 24.386 -4.961 1.00 0.00 C ATOM 615 CD GLU A 39 9.550 25.828 -5.510 1.00 0.00 C ATOM 616 OE1 GLU A 39 9.453 26.810 -4.733 1.00 0.00 O ATOM 617 OE2 GLU A 39 9.687 25.990 -6.751 1.00 0.00 O1- ATOM 0 H GLU A 39 11.869 22.785 -4.010 1.00 0.00 H new ATOM 0 HA GLU A 39 11.545 25.625 -3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.773 23.194 -3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.238 24.829 -2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.071 23.734 -5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.428 24.040 -5.056 1.00 0.00 H new ATOM 624 N GLU A 40 11.111 25.950 -1.211 1.00 0.00 N ATOM 625 CA GLU A 40 11.173 26.344 0.204 1.00 0.00 C ATOM 626 C GLU A 40 9.803 26.848 0.677 1.00 0.00 C ATOM 627 O GLU A 40 9.110 27.589 -0.028 1.00 0.00 O ATOM 628 CB GLU A 40 12.235 27.433 0.426 1.00 0.00 C ATOM 629 CG GLU A 40 13.669 26.897 0.285 1.00 0.00 C ATOM 630 CD GLU A 40 14.740 27.998 0.448 1.00 0.00 C ATOM 631 OE1 GLU A 40 15.806 27.722 1.053 1.00 0.00 O ATOM 632 OE2 GLU A 40 14.552 29.141 -0.043 1.00 0.00 O1- ATOM 0 H GLU A 40 10.653 26.655 -1.789 1.00 0.00 H new ATOM 0 HA GLU A 40 11.452 25.466 0.786 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.080 28.238 -0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.108 27.863 1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 40 13.837 26.121 1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.782 26.429 -0.693 1.00 0.00 H new ATOM 639 N HIS A 41 9.429 26.454 1.892 1.00 0.00 N ATOM 640 CA HIS A 41 8.107 26.694 2.489 1.00 0.00 C ATOM 641 C HIS A 41 8.232 27.128 3.957 1.00 0.00 C ATOM 642 O HIS A 41 9.175 26.731 4.646 1.00 0.00 O ATOM 643 CB HIS A 41 7.248 25.423 2.395 1.00 0.00 C ATOM 644 CG HIS A 41 7.207 24.780 1.028 1.00 0.00 C ATOM 645 ND1 HIS A 41 6.412 25.196 -0.047 1.00 0.00 N ATOM 646 CD2 HIS A 41 7.971 23.719 0.629 1.00 0.00 C ATOM 647 CE1 HIS A 41 6.719 24.373 -1.072 1.00 0.00 C ATOM 648 NE2 HIS A 41 7.642 23.474 -0.688 1.00 0.00 N ATOM 0 H HIS A 41 10.055 25.941 2.513 1.00 0.00 H new ATOM 0 HA HIS A 41 7.627 27.499 1.933 1.00 0.00 H new ATOM 0 HB2 HIS A 41 7.625 24.694 3.112 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.229 25.668 2.696 1.00 0.00 H new ATOM 0 HD2 HIS A 41 8.690 23.179 1.227 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.285 24.429 -2.059 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.033 22.735 -1.272 1.00 0.00 H new ATOM 656 N ALA A 42 7.256 27.888 4.452 1.00 0.00 N ATOM 657 CA ALA A 42 7.194 28.350 5.844 1.00 0.00 C ATOM 658 C ALA A 42 5.746 28.450 6.358 1.00 0.00 C ATOM 659 O ALA A 42 4.832 28.846 5.629 1.00 0.00 O ATOM 660 CB ALA A 42 7.931 29.691 5.971 1.00 0.00 C ATOM 0 H ALA A 42 6.469 28.208 3.888 1.00 0.00 H new ATOM 0 HA ALA A 42 7.689 27.611 6.474 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.885 30.035 7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.973 29.563 5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.459 30.429 5.322 1.00 0.00 H new ATOM 666 N PHE A 43 5.563 28.104 7.634 1.00 0.00 N ATOM 667 CA PHE A 43 4.265 27.916 8.295 1.00 0.00 C ATOM 668 C PHE A 43 4.294 28.548 9.707 1.00 0.00 C ATOM 669 O PHE A 43 4.656 27.872 10.681 1.00 0.00 O ATOM 670 CB PHE A 43 3.926 26.417 8.308 1.00 0.00 C ATOM 671 CG PHE A 43 3.945 25.776 6.932 1.00 0.00 C ATOM 672 CD1 PHE A 43 2.881 26.003 6.041 1.00 0.00 C ATOM 673 CD2 PHE A 43 5.067 25.031 6.514 1.00 0.00 C ATOM 674 CE1 PHE A 43 2.943 25.505 4.727 1.00 0.00 C ATOM 675 CE2 PHE A 43 5.129 24.530 5.201 1.00 0.00 C ATOM 676 CZ PHE A 43 4.069 24.777 4.307 1.00 0.00 C ATOM 0 H PHE A 43 6.348 27.940 8.264 1.00 0.00 H new ATOM 0 HA PHE A 43 3.472 28.426 7.748 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.637 25.898 8.951 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.939 26.280 8.749 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.015 26.560 6.366 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.879 24.845 7.202 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.127 25.682 4.042 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.987 23.958 4.879 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.122 24.405 3.294 1.00 0.00 H new ATOM 686 N PRO A 44 3.985 29.855 9.838 1.00 0.00 N ATOM 687 CA PRO A 44 4.010 30.559 11.115 1.00 0.00 C ATOM 688 C PRO A 44 2.913 30.077 12.078 1.00 0.00 C ATOM 689 O PRO A 44 1.807 29.720 11.669 1.00 0.00 O ATOM 690 CB PRO A 44 3.886 32.049 10.770 1.00 0.00 C ATOM 691 CG PRO A 44 3.123 32.045 9.442 1.00 0.00 C ATOM 692 CD PRO A 44 3.614 30.766 8.762 1.00 0.00 C ATOM 0 HA PRO A 44 4.935 30.360 11.655 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.345 32.596 11.542 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.864 32.521 10.670 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.044 32.030 9.597 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.347 32.930 8.846 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.834 30.333 8.136 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.466 30.971 8.114 1.00 0.00 H new ATOM 700 N GLY A 45 3.243 30.077 13.371 1.00 0.00 N ATOM 701 CA GLY A 45 2.367 29.628 14.461 1.00 0.00 C ATOM 702 C GLY A 45 2.461 28.130 14.771 1.00 0.00 C ATOM 703 O GLY A 45 1.702 27.652 15.611 1.00 0.00 O ATOM 0 H GLY A 45 4.153 30.398 13.701 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.612 30.189 15.363 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.335 29.870 14.205 1.00 0.00 H new ATOM 707 N LEU A 46 3.377 27.393 14.127 1.00 0.00 N ATOM 708 CA LEU A 46 3.609 25.958 14.332 1.00 0.00 C ATOM 709 C LEU A 46 4.973 25.629 14.967 1.00 0.00 C ATOM 710 O LEU A 46 5.929 26.407 14.889 1.00 0.00 O ATOM 711 CB LEU A 46 3.447 25.200 12.993 1.00 0.00 C ATOM 712 CG LEU A 46 2.079 25.343 12.299 1.00 0.00 C ATOM 713 CD1 LEU A 46 2.043 24.440 11.071 1.00 0.00 C ATOM 714 CD2 LEU A 46 0.904 24.930 13.193 1.00 0.00 C ATOM 0 H LEU A 46 3.998 27.795 13.425 1.00 0.00 H new ATOM 0 HA LEU A 46 2.857 25.627 15.048 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.219 25.547 12.306 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.632 24.141 13.173 1.00 0.00 H new ATOM 0 HG LEU A 46 1.971 26.398 12.047 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.077 24.537 10.576 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.835 24.732 10.381 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.191 23.404 11.377 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.031 25.054 12.646 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.018 23.886 13.485 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.888 25.556 14.085 1.00 0.00 H new ATOM 726 N ALA A 47 5.051 24.424 15.532 1.00 0.00 N ATOM 727 CA ALA A 47 6.255 23.723 15.989 1.00 0.00 C ATOM 728 C ALA A 47 6.139 22.212 15.694 1.00 0.00 C ATOM 729 O ALA A 47 5.039 21.694 15.474 1.00 0.00 O ATOM 730 CB ALA A 47 6.463 23.999 17.484 1.00 0.00 C ATOM 0 H ALA A 47 4.211 23.869 15.695 1.00 0.00 H new ATOM 0 HA ALA A 47 7.127 24.091 15.448 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.357 23.480 17.829 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.582 25.071 17.643 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.598 23.643 18.044 1.00 0.00 H new ATOM 736 N ILE A 48 7.261 21.482 15.682 1.00 0.00 N ATOM 737 CA ILE A 48 7.261 20.018 15.486 1.00 0.00 C ATOM 738 C ILE A 48 6.705 19.336 16.749 1.00 0.00 C ATOM 739 O ILE A 48 7.219 19.547 17.853 1.00 0.00 O ATOM 740 CB ILE A 48 8.673 19.500 15.121 1.00 0.00 C ATOM 741 CG1 ILE A 48 9.193 20.119 13.797 1.00 0.00 C ATOM 742 CG2 ILE A 48 8.672 17.960 14.994 1.00 0.00 C ATOM 743 CD1 ILE A 48 10.717 20.045 13.651 1.00 0.00 C ATOM 0 H ILE A 48 8.191 21.882 15.807 1.00 0.00 H new ATOM 0 HA ILE A 48 6.615 19.768 14.645 1.00 0.00 H new ATOM 0 HB ILE A 48 9.340 19.803 15.928 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.729 19.604 12.956 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.880 21.162 13.744 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.674 17.615 14.737 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.368 17.517 15.942 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.973 17.660 14.213 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.014 20.495 12.704 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.188 20.585 14.473 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.034 19.002 13.673 1.00 0.00 H new ATOM 755 N GLY A 49 5.663 18.513 16.597 1.00 0.00 N ATOM 756 CA GLY A 49 5.038 17.747 17.685 1.00 0.00 C ATOM 757 C GLY A 49 5.669 16.366 17.873 1.00 0.00 C ATOM 758 O GLY A 49 6.110 16.028 18.975 1.00 0.00 O ATOM 0 H GLY A 49 5.218 18.356 15.693 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.122 18.310 18.615 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.974 17.631 17.477 1.00 0.00 H new ATOM 762 N ARG A 50 5.750 15.581 16.792 1.00 0.00 N ATOM 763 CA ARG A 50 6.395 14.252 16.766 1.00 0.00 C ATOM 764 C ARG A 50 6.919 13.874 15.381 1.00 0.00 C ATOM 765 O ARG A 50 6.468 14.416 14.369 1.00 0.00 O ATOM 766 CB ARG A 50 5.445 13.168 17.324 1.00 0.00 C ATOM 767 CG ARG A 50 4.246 12.774 16.449 1.00 0.00 C ATOM 768 CD ARG A 50 3.491 11.601 17.096 1.00 0.00 C ATOM 769 NE ARG A 50 2.554 10.979 16.138 1.00 0.00 N ATOM 770 CZ ARG A 50 2.631 9.756 15.631 1.00 0.00 C ATOM 771 NH1 ARG A 50 3.449 8.845 16.071 1.00 0.00 N1+ ATOM 772 NH2 ARG A 50 1.867 9.406 14.636 1.00 0.00 N ATOM 0 H ARG A 50 5.362 15.853 15.889 1.00 0.00 H new ATOM 0 HA ARG A 50 7.268 14.313 17.416 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.032 12.270 17.518 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.064 13.514 18.285 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.577 13.626 16.328 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.588 12.493 15.453 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.204 10.856 17.448 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.942 11.955 17.969 1.00 0.00 H new ATOM 0 HE ARG A 50 1.765 11.550 15.835 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.077 9.055 16.847 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.463 7.921 15.640 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.205 10.074 14.242 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.931 8.464 14.251 1.00 0.00 H new ATOM 786 N VAL A 51 7.827 12.902 15.343 1.00 0.00 N ATOM 787 CA VAL A 51 8.315 12.261 14.111 1.00 0.00 C ATOM 788 C VAL A 51 8.234 10.744 14.251 1.00 0.00 C ATOM 789 O VAL A 51 8.728 10.192 15.228 1.00 0.00 O ATOM 790 CB VAL A 51 9.750 12.693 13.738 1.00 0.00 C ATOM 791 CG1 VAL A 51 10.089 12.244 12.312 1.00 0.00 C ATOM 792 CG2 VAL A 51 9.996 14.202 13.863 1.00 0.00 C ATOM 0 H VAL A 51 8.259 12.524 16.186 1.00 0.00 H new ATOM 0 HA VAL A 51 7.670 12.592 13.297 1.00 0.00 H new ATOM 0 HB VAL A 51 10.402 12.203 14.461 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.104 12.556 12.064 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.017 11.158 12.245 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.388 12.698 11.611 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.025 14.427 13.584 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.315 14.738 13.201 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.822 14.515 14.893 1.00 0.00 H new ATOM 802 N ASP A 52 7.608 10.068 13.291 1.00 0.00 N ATOM 803 CA ASP A 52 7.336 8.626 13.327 1.00 0.00 C ATOM 804 C ASP A 52 7.950 7.914 12.116 1.00 0.00 C ATOM 805 O ASP A 52 7.450 8.002 10.989 1.00 0.00 O ATOM 806 CB ASP A 52 5.821 8.416 13.445 1.00 0.00 C ATOM 807 CG ASP A 52 5.432 6.975 13.778 1.00 0.00 C ATOM 808 OD1 ASP A 52 6.193 6.025 13.497 1.00 0.00 O ATOM 809 OD2 ASP A 52 4.363 6.786 14.405 1.00 0.00 O1- ATOM 0 H ASP A 52 7.265 10.517 12.442 1.00 0.00 H new ATOM 0 HA ASP A 52 7.811 8.176 14.199 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.429 9.078 14.217 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.347 8.705 12.507 1.00 0.00 H new ATOM 814 N LEU A 53 9.064 7.221 12.343 1.00 0.00 N ATOM 815 CA LEU A 53 9.914 6.635 11.306 1.00 0.00 C ATOM 816 C LEU A 53 9.394 5.280 10.792 1.00 0.00 C ATOM 817 O LEU A 53 9.922 4.751 9.808 1.00 0.00 O ATOM 818 CB LEU A 53 11.362 6.549 11.819 1.00 0.00 C ATOM 819 CG LEU A 53 12.072 7.881 12.158 1.00 0.00 C ATOM 820 CD1 LEU A 53 11.916 8.928 11.054 1.00 0.00 C ATOM 821 CD2 LEU A 53 11.677 8.515 13.494 1.00 0.00 C ATOM 0 H LEU A 53 9.412 7.045 13.285 1.00 0.00 H new ATOM 0 HA LEU A 53 9.886 7.292 10.437 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.367 5.926 12.714 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.957 6.031 11.067 1.00 0.00 H new ATOM 0 HG LEU A 53 13.115 7.578 12.245 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.433 9.843 11.344 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.345 8.547 10.128 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.858 9.142 10.902 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.231 9.443 13.634 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.608 8.727 13.494 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.910 7.827 14.306 1.00 0.00 H new ATOM 833 N ARG A 54 8.322 4.742 11.389 1.00 0.00 N ATOM 834 CA ARG A 54 7.567 3.584 10.867 1.00 0.00 C ATOM 835 C ARG A 54 6.752 3.948 9.620 1.00 0.00 C ATOM 836 O ARG A 54 6.463 3.067 8.805 1.00 0.00 O ATOM 837 CB ARG A 54 6.638 3.028 11.961 1.00 0.00 C ATOM 838 CG ARG A 54 7.417 2.506 13.184 1.00 0.00 C ATOM 839 CD ARG A 54 6.511 2.272 14.398 1.00 0.00 C ATOM 840 NE ARG A 54 6.007 3.555 14.927 1.00 0.00 N ATOM 841 CZ ARG A 54 5.840 3.919 16.185 1.00 0.00 C ATOM 842 NH1 ARG A 54 6.149 3.164 17.202 1.00 0.00 N1+ ATOM 843 NH2 ARG A 54 5.349 5.090 16.433 1.00 0.00 N ATOM 0 H ARG A 54 7.944 5.103 12.265 1.00 0.00 H new ATOM 0 HA ARG A 54 8.289 2.821 10.577 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.948 3.809 12.280 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.035 2.220 11.546 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.917 1.573 12.922 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.196 3.222 13.448 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.673 1.635 14.115 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.064 1.745 15.175 1.00 0.00 H new ATOM 0 HE ARG A 54 5.754 4.253 14.227 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.543 2.236 17.047 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.997 3.501 18.152 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.099 5.712 15.664 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.212 5.392 17.398 1.00 0.00 H new ATOM 857 N SER A 55 6.425 5.233 9.457 1.00 0.00 N ATOM 858 CA SER A 55 5.646 5.772 8.327 1.00 0.00 C ATOM 859 C SER A 55 6.340 6.927 7.589 1.00 0.00 C ATOM 860 O SER A 55 5.904 7.301 6.499 1.00 0.00 O ATOM 861 CB SER A 55 4.267 6.227 8.824 1.00 0.00 C ATOM 862 OG SER A 55 3.562 5.145 9.419 1.00 0.00 O ATOM 0 H SER A 55 6.701 5.953 10.125 1.00 0.00 H new ATOM 0 HA SER A 55 5.549 4.962 7.604 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.384 7.033 9.549 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.690 6.629 7.991 1.00 0.00 H new ATOM 0 HG SER A 55 2.687 5.457 9.730 1.00 0.00 H new ATOM 868 N GLY A 56 7.415 7.495 8.155 1.00 0.00 N ATOM 869 CA GLY A 56 8.132 8.650 7.599 1.00 0.00 C ATOM 870 C GLY A 56 7.377 9.974 7.765 1.00 0.00 C ATOM 871 O GLY A 56 7.501 10.858 6.912 1.00 0.00 O ATOM 0 H GLY A 56 7.818 7.157 9.029 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.105 8.732 8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.318 8.477 6.539 1.00 0.00 H new ATOM 875 N VAL A 57 6.555 10.110 8.817 1.00 0.00 N ATOM 876 CA VAL A 57 5.667 11.268 9.043 1.00 0.00 C ATOM 877 C VAL A 57 6.233 12.213 10.106 1.00 0.00 C ATOM 878 O VAL A 57 6.527 11.799 11.227 1.00 0.00 O ATOM 879 CB VAL A 57 4.228 10.820 9.381 1.00 0.00 C ATOM 880 CG1 VAL A 57 3.296 12.006 9.683 1.00 0.00 C ATOM 881 CG2 VAL A 57 3.610 10.039 8.214 1.00 0.00 C ATOM 0 H VAL A 57 6.485 9.405 9.551 1.00 0.00 H new ATOM 0 HA VAL A 57 5.619 11.829 8.110 1.00 0.00 H new ATOM 0 HB VAL A 57 4.315 10.194 10.269 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.298 11.635 9.914 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.682 12.564 10.536 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.247 12.661 8.813 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.597 9.734 8.476 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.581 10.672 7.327 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.213 9.155 8.008 1.00 0.00 H new ATOM 891 N ILE A 58 6.336 13.496 9.751 1.00 0.00 N ATOM 892 CA ILE A 58 6.602 14.636 10.635 1.00 0.00 C ATOM 893 C ILE A 58 5.261 15.336 10.920 1.00 0.00 C ATOM 894 O ILE A 58 4.639 15.913 10.021 1.00 0.00 O ATOM 895 CB ILE A 58 7.647 15.568 9.964 1.00 0.00 C ATOM 896 CG1 ILE A 58 9.032 14.884 9.931 1.00 0.00 C ATOM 897 CG2 ILE A 58 7.739 16.937 10.664 1.00 0.00 C ATOM 898 CD1 ILE A 58 10.071 15.574 9.040 1.00 0.00 C ATOM 0 H ILE A 58 6.229 13.786 8.779 1.00 0.00 H new ATOM 0 HA ILE A 58 7.028 14.324 11.589 1.00 0.00 H new ATOM 0 HB ILE A 58 7.313 15.750 8.943 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.422 14.836 10.948 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.906 13.857 9.589 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.482 17.554 10.160 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.769 17.432 10.624 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.031 16.795 11.704 1.00 0.00 H new ATOM 0 HD11 ILE A 58 11.010 15.022 9.081 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.710 15.599 8.012 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.233 16.593 9.392 1.00 0.00 H new ATOM 910 N SER A 59 4.802 15.281 12.171 1.00 0.00 N ATOM 911 CA SER A 59 3.527 15.849 12.623 1.00 0.00 C ATOM 912 C SER A 59 3.741 17.184 13.334 1.00 0.00 C ATOM 913 O SER A 59 4.518 17.254 14.295 1.00 0.00 O ATOM 914 CB SER A 59 2.829 14.852 13.551 1.00 0.00 C ATOM 915 OG SER A 59 1.539 15.324 13.900 1.00 0.00 O ATOM 0 H SER A 59 5.322 14.827 12.922 1.00 0.00 H new ATOM 0 HA SER A 59 2.897 16.036 11.753 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.748 13.883 13.059 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.425 14.704 14.451 1.00 0.00 H new ATOM 0 HG SER A 59 1.103 14.676 14.492 1.00 0.00 H new ATOM 921 N LEU A 60 3.076 18.251 12.874 1.00 0.00 N ATOM 922 CA LEU A 60 3.177 19.600 13.447 1.00 0.00 C ATOM 923 C LEU A 60 2.003 19.941 14.378 1.00 0.00 C ATOM 924 O LEU A 60 0.882 19.456 14.192 1.00 0.00 O ATOM 925 CB LEU A 60 3.313 20.647 12.330 1.00 0.00 C ATOM 926 CG LEU A 60 4.374 20.348 11.254 1.00 0.00 C ATOM 927 CD1 LEU A 60 4.456 21.536 10.301 1.00 0.00 C ATOM 928 CD2 LEU A 60 5.767 20.080 11.836 1.00 0.00 C ATOM 0 H LEU A 60 2.440 18.200 12.078 1.00 0.00 H new ATOM 0 HA LEU A 60 4.076 19.618 14.064 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.346 20.754 11.839 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.547 21.609 12.786 1.00 0.00 H new ATOM 0 HG LEU A 60 4.063 19.440 10.738 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.204 21.336 9.534 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.486 21.692 9.829 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.737 22.430 10.858 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.467 19.876 11.026 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.102 20.954 12.394 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.723 19.219 12.503 1.00 0.00 H new ATOM 940 N ILE A 61 2.260 20.825 15.343 1.00 0.00 N ATOM 941 CA ILE A 61 1.305 21.319 16.350 1.00 0.00 C ATOM 942 C ILE A 61 1.434 22.842 16.506 1.00 0.00 C ATOM 943 O ILE A 61 2.449 23.429 16.132 1.00 0.00 O ATOM 944 CB ILE A 61 1.469 20.576 17.700 1.00 0.00 C ATOM 945 CG1 ILE A 61 2.875 20.612 18.342 1.00 0.00 C ATOM 946 CG2 ILE A 61 1.032 19.108 17.546 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.198 21.884 19.126 1.00 0.00 C ATOM 0 H ILE A 61 3.185 21.240 15.454 1.00 0.00 H new ATOM 0 HA ILE A 61 0.294 21.106 16.001 1.00 0.00 H new ATOM 0 HB ILE A 61 0.829 21.132 18.385 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.974 19.757 19.011 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.620 20.490 17.556 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.150 18.591 18.499 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.013 19.070 17.239 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.650 18.622 16.791 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.205 21.812 19.537 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.138 22.746 18.462 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.482 22.002 19.939 1.00 0.00 H new ATOM 959 N GLU A 62 0.410 23.506 17.042 1.00 0.00 N ATOM 960 CA GLU A 62 0.406 24.957 17.281 1.00 0.00 C ATOM 961 C GLU A 62 1.380 25.352 18.411 1.00 0.00 C ATOM 962 O GLU A 62 1.349 24.781 19.505 1.00 0.00 O ATOM 963 CB GLU A 62 -1.014 25.469 17.581 1.00 0.00 C ATOM 964 CG GLU A 62 -2.049 25.155 16.486 1.00 0.00 C ATOM 965 CD GLU A 62 -2.815 23.818 16.679 1.00 0.00 C ATOM 966 OE1 GLU A 62 -3.934 23.688 16.122 1.00 0.00 O ATOM 967 OE2 GLU A 62 -2.320 22.888 17.366 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.455 23.048 17.328 1.00 0.00 H new ATOM 0 HA GLU A 62 0.752 25.434 16.364 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.353 25.032 18.520 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.974 26.548 17.727 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.772 25.969 16.445 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.541 25.131 15.522 1.00 0.00 H new ATOM 974 N GLU A 63 2.235 26.345 18.161 1.00 0.00 N ATOM 975 CA GLU A 63 3.272 26.793 19.111 1.00 0.00 C ATOM 976 C GLU A 63 2.745 27.723 20.226 1.00 0.00 C ATOM 977 O GLU A 63 3.425 27.921 21.237 1.00 0.00 O ATOM 978 CB GLU A 63 4.451 27.397 18.330 1.00 0.00 C ATOM 979 CG GLU A 63 4.197 28.787 17.720 1.00 0.00 C ATOM 980 CD GLU A 63 4.726 29.946 18.587 1.00 0.00 C ATOM 981 OE1 GLU A 63 3.965 30.911 18.829 1.00 0.00 O ATOM 982 OE2 GLU A 63 5.912 29.932 19.004 1.00 0.00 O1- ATOM 0 H GLU A 63 2.233 26.870 17.287 1.00 0.00 H new ATOM 0 HA GLU A 63 3.623 25.917 19.656 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.310 27.463 18.997 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.723 26.711 17.528 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.667 28.835 16.738 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.126 28.918 17.568 1.00 0.00 H new ATOM 1115 N MET B 3 15.495 4.033 9.333 1.00 0.00 N ATOM 1116 CA MET B 3 15.235 4.786 10.567 1.00 0.00 C ATOM 1117 C MET B 3 16.175 5.982 10.786 1.00 0.00 C ATOM 1118 O MET B 3 17.292 6.038 10.265 1.00 0.00 O ATOM 1119 CB MET B 3 15.334 3.837 11.771 1.00 0.00 C ATOM 1120 CG MET B 3 14.062 2.999 11.918 1.00 0.00 C ATOM 1121 SD MET B 3 14.256 1.554 12.996 1.00 0.00 S ATOM 1122 CE MET B 3 15.166 0.473 11.851 1.00 0.00 C ATOM 0 HA MET B 3 14.232 5.200 10.466 1.00 0.00 H new ATOM 0 HB2 MET B 3 16.195 3.179 11.650 1.00 0.00 H new ATOM 0 HB3 MET B 3 15.500 4.414 12.680 1.00 0.00 H new ATOM 0 HG2 MET B 3 13.266 3.630 12.313 1.00 0.00 H new ATOM 0 HG3 MET B 3 13.743 2.664 10.931 1.00 0.00 H new ATOM 0 HE1 MET B 3 14.611 -0.454 11.707 1.00 0.00 H new ATOM 0 HE2 MET B 3 15.285 0.977 10.892 1.00 0.00 H new ATOM 0 HE3 MET B 3 16.148 0.247 12.267 1.00 0.00 H new ATOM 1132 N ALA B 4 15.715 6.932 11.605 1.00 0.00 N ATOM 1133 CA ALA B 4 16.468 8.122 11.991 1.00 0.00 C ATOM 1134 C ALA B 4 17.602 7.829 12.994 1.00 0.00 C ATOM 1135 O ALA B 4 17.693 6.751 13.592 1.00 0.00 O ATOM 1136 CB ALA B 4 15.484 9.157 12.546 1.00 0.00 C ATOM 0 H ALA B 4 14.787 6.891 12.026 1.00 0.00 H new ATOM 0 HA ALA B 4 16.968 8.512 11.105 1.00 0.00 H new ATOM 0 HB1 ALA B 4 16.028 10.055 12.840 1.00 0.00 H new ATOM 0 HB2 ALA B 4 14.752 9.411 11.779 1.00 0.00 H new ATOM 0 HB3 ALA B 4 14.971 8.743 13.414 1.00 0.00 H new ATOM 1142 N LYS B 5 18.436 8.851 13.223 1.00 0.00 N ATOM 1143 CA LYS B 5 19.394 8.942 14.332 1.00 0.00 C ATOM 1144 C LYS B 5 19.292 10.308 15.023 1.00 0.00 C ATOM 1145 O LYS B 5 19.191 11.337 14.351 1.00 0.00 O ATOM 1146 CB LYS B 5 20.819 8.577 13.866 1.00 0.00 C ATOM 1147 CG LYS B 5 21.354 9.395 12.673 1.00 0.00 C ATOM 1148 CD LYS B 5 22.758 8.904 12.278 1.00 0.00 C ATOM 1149 CE LYS B 5 23.369 9.663 11.088 1.00 0.00 C ATOM 1150 NZ LYS B 5 22.734 9.315 9.788 1.00 0.00 N1+ ATOM 0 H LYS B 5 18.463 9.670 12.616 1.00 0.00 H new ATOM 0 HA LYS B 5 19.138 8.202 15.091 1.00 0.00 H new ATOM 0 HB2 LYS B 5 21.501 8.703 14.707 1.00 0.00 H new ATOM 0 HB3 LYS B 5 20.836 7.521 13.597 1.00 0.00 H new ATOM 0 HG2 LYS B 5 20.676 9.301 11.825 1.00 0.00 H new ATOM 0 HG3 LYS B 5 21.391 10.452 12.935 1.00 0.00 H new ATOM 0 HD2 LYS B 5 23.421 9.000 13.137 1.00 0.00 H new ATOM 0 HD3 LYS B 5 22.706 7.843 12.032 1.00 0.00 H new ATOM 0 HE2 LYS B 5 23.270 10.735 11.259 1.00 0.00 H new ATOM 0 HE3 LYS B 5 24.436 9.446 11.035 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 23.077 9.962 9.050 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 22.979 8.337 9.533 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 21.701 9.402 9.872 1.00 0.00 H new ATOM 1164 N VAL B 6 19.284 10.313 16.356 1.00 0.00 N ATOM 1165 CA VAL B 6 19.137 11.522 17.190 1.00 0.00 C ATOM 1166 C VAL B 6 20.503 11.989 17.701 1.00 0.00 C ATOM 1167 O VAL B 6 21.344 11.167 18.067 1.00 0.00 O ATOM 1168 CB VAL B 6 18.139 11.270 18.344 1.00 0.00 C ATOM 1169 CG1 VAL B 6 18.166 12.339 19.446 1.00 0.00 C ATOM 1170 CG2 VAL B 6 16.704 11.192 17.825 1.00 0.00 C ATOM 0 H VAL B 6 19.381 9.460 16.906 1.00 0.00 H new ATOM 0 HA VAL B 6 18.726 12.326 16.579 1.00 0.00 H new ATOM 0 HB VAL B 6 18.463 10.323 18.776 1.00 0.00 H new ATOM 0 HG11 VAL B 6 17.437 12.086 20.216 1.00 0.00 H new ATOM 0 HG12 VAL B 6 19.161 12.380 19.888 1.00 0.00 H new ATOM 0 HG13 VAL B 6 17.919 13.310 19.017 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.025 11.014 18.659 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.442 12.131 17.337 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.620 10.375 17.108 1.00 0.00 H new ATOM 1180 N VAL B 7 20.710 13.305 17.776 1.00 0.00 N ATOM 1181 CA VAL B 7 21.859 13.950 18.423 1.00 0.00 C ATOM 1182 C VAL B 7 21.413 15.115 19.315 1.00 0.00 C ATOM 1183 O VAL B 7 20.515 15.887 18.961 1.00 0.00 O ATOM 1184 CB VAL B 7 22.931 14.361 17.387 1.00 0.00 C ATOM 1185 CG1 VAL B 7 22.422 15.364 16.342 1.00 0.00 C ATOM 1186 CG2 VAL B 7 24.177 14.964 18.052 1.00 0.00 C ATOM 0 H VAL B 7 20.058 13.978 17.373 1.00 0.00 H new ATOM 0 HA VAL B 7 22.332 13.221 19.081 1.00 0.00 H new ATOM 0 HB VAL B 7 23.186 13.429 16.883 1.00 0.00 H new ATOM 0 HG11 VAL B 7 23.227 15.607 15.648 1.00 0.00 H new ATOM 0 HG12 VAL B 7 21.589 14.925 15.792 1.00 0.00 H new ATOM 0 HG13 VAL B 7 22.088 16.273 16.842 1.00 0.00 H new ATOM 0 HG21 VAL B 7 24.902 15.238 17.286 1.00 0.00 H new ATOM 0 HG22 VAL B 7 23.894 15.852 18.617 1.00 0.00 H new ATOM 0 HG23 VAL B 7 24.621 14.231 18.726 1.00 0.00 H new ATOM 1196 N LEU B 8 22.031 15.223 20.491 1.00 0.00 N ATOM 1197 CA LEU B 8 21.737 16.221 21.524 1.00 0.00 C ATOM 1198 C LEU B 8 22.971 16.535 22.386 1.00 0.00 C ATOM 1199 O LEU B 8 23.960 15.794 22.370 1.00 0.00 O ATOM 1200 CB LEU B 8 20.551 15.735 22.384 1.00 0.00 C ATOM 1201 CG LEU B 8 20.825 14.467 23.224 1.00 0.00 C ATOM 1202 CD1 LEU B 8 20.095 14.553 24.561 1.00 0.00 C ATOM 1203 CD2 LEU B 8 20.361 13.183 22.526 1.00 0.00 C ATOM 0 H LEU B 8 22.783 14.590 20.763 1.00 0.00 H new ATOM 0 HA LEU B 8 21.460 17.155 21.036 1.00 0.00 H new ATOM 0 HB2 LEU B 8 20.256 16.541 23.057 1.00 0.00 H new ATOM 0 HB3 LEU B 8 19.702 15.541 21.728 1.00 0.00 H new ATOM 0 HG LEU B 8 21.905 14.423 23.362 1.00 0.00 H new ATOM 0 HD11 LEU B 8 20.296 13.654 25.144 1.00 0.00 H new ATOM 0 HD12 LEU B 8 20.444 15.427 25.111 1.00 0.00 H new ATOM 0 HD13 LEU B 8 19.023 14.639 24.385 1.00 0.00 H new ATOM 0 HD21 LEU B 8 20.578 12.324 23.161 1.00 0.00 H new ATOM 0 HD22 LEU B 8 19.288 13.236 22.342 1.00 0.00 H new ATOM 0 HD23 LEU B 8 20.886 13.074 21.577 1.00 0.00 H new ATOM 1215 N THR B 9 22.881 17.597 23.186 1.00 0.00 N ATOM 1216 CA THR B 9 23.897 17.975 24.187 1.00 0.00 C ATOM 1217 C THR B 9 23.247 18.116 25.568 1.00 0.00 C ATOM 1218 O THR B 9 22.221 18.788 25.712 1.00 0.00 O ATOM 1219 CB THR B 9 24.635 19.277 23.813 1.00 0.00 C ATOM 1220 OG1 THR B 9 24.845 19.396 22.418 1.00 0.00 O ATOM 1221 CG2 THR B 9 26.011 19.333 24.470 1.00 0.00 C ATOM 0 H THR B 9 22.086 18.236 23.161 1.00 0.00 H new ATOM 0 HA THR B 9 24.640 17.178 24.210 1.00 0.00 H new ATOM 0 HB THR B 9 23.995 20.087 24.163 1.00 0.00 H new ATOM 0 HG1 THR B 9 24.542 20.278 22.116 1.00 0.00 H new ATOM 0 HG21 THR B 9 26.510 20.261 24.190 1.00 0.00 H new ATOM 0 HG22 THR B 9 25.899 19.294 25.553 1.00 0.00 H new ATOM 0 HG23 THR B 9 26.608 18.485 24.136 1.00 0.00 H new ATOM 1229 N LYS B 10 23.830 17.480 26.589 1.00 0.00 N ATOM 1230 CA LYS B 10 23.390 17.548 27.996 1.00 0.00 C ATOM 1231 C LYS B 10 23.722 18.897 28.642 1.00 0.00 C ATOM 1232 O LYS B 10 24.609 19.615 28.179 1.00 0.00 O ATOM 1233 CB LYS B 10 24.009 16.379 28.788 1.00 0.00 C ATOM 1234 CG LYS B 10 23.508 15.012 28.290 1.00 0.00 C ATOM 1235 CD LYS B 10 24.084 13.834 29.086 1.00 0.00 C ATOM 1236 CE LYS B 10 25.594 13.662 28.872 1.00 0.00 C ATOM 1237 NZ LYS B 10 26.106 12.472 29.606 1.00 0.00 N1+ ATOM 0 H LYS B 10 24.647 16.883 26.460 1.00 0.00 H new ATOM 0 HA LYS B 10 22.304 17.458 28.017 1.00 0.00 H new ATOM 0 HB2 LYS B 10 25.095 16.419 28.703 1.00 0.00 H new ATOM 0 HB3 LYS B 10 23.767 16.490 29.845 1.00 0.00 H new ATOM 0 HG2 LYS B 10 22.420 14.986 28.351 1.00 0.00 H new ATOM 0 HG3 LYS B 10 23.772 14.896 27.239 1.00 0.00 H new ATOM 0 HD2 LYS B 10 23.886 13.985 30.147 1.00 0.00 H new ATOM 0 HD3 LYS B 10 23.572 12.917 28.793 1.00 0.00 H new ATOM 0 HE2 LYS B 10 25.804 13.555 27.808 1.00 0.00 H new ATOM 0 HE3 LYS B 10 26.117 14.556 29.212 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 27.129 12.378 29.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 25.925 12.587 30.624 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 25.622 11.618 29.263 1.00 0.00 H new ATOM 1251 N ALA B 11 23.068 19.215 29.761 1.00 0.00 N ATOM 1252 CA ALA B 11 23.339 20.426 30.552 1.00 0.00 C ATOM 1253 C ALA B 11 24.783 20.482 31.112 1.00 0.00 C ATOM 1254 O ALA B 11 25.320 21.568 31.341 1.00 0.00 O ATOM 1255 CB ALA B 11 22.301 20.491 31.681 1.00 0.00 C ATOM 0 H ALA B 11 22.326 18.635 30.151 1.00 0.00 H new ATOM 0 HA ALA B 11 23.256 21.295 29.899 1.00 0.00 H new ATOM 0 HB1 ALA B 11 22.477 21.380 32.286 1.00 0.00 H new ATOM 0 HB2 ALA B 11 21.300 20.536 31.253 1.00 0.00 H new ATOM 0 HB3 ALA B 11 22.388 19.603 32.307 1.00 0.00 H new ATOM 1261 N ASP B 12 25.432 19.323 31.277 1.00 0.00 N ATOM 1262 CA ASP B 12 26.859 19.196 31.633 1.00 0.00 C ATOM 1263 C ASP B 12 27.835 19.478 30.461 1.00 0.00 C ATOM 1264 O ASP B 12 29.055 19.450 30.638 1.00 0.00 O ATOM 1265 CB ASP B 12 27.098 17.789 32.212 1.00 0.00 C ATOM 1266 CG ASP B 12 26.288 17.470 33.488 1.00 0.00 C ATOM 1267 OD1 ASP B 12 26.051 16.267 33.751 1.00 0.00 O ATOM 1268 OD2 ASP B 12 25.912 18.396 34.250 1.00 0.00 O1- ATOM 0 H ASP B 12 24.970 18.420 31.165 1.00 0.00 H new ATOM 0 HA ASP B 12 27.076 19.966 32.373 1.00 0.00 H new ATOM 0 HB2 ASP B 12 26.853 17.050 31.449 1.00 0.00 H new ATOM 0 HB3 ASP B 12 28.159 17.678 32.434 1.00 0.00 H new ATOM 1273 N GLY B 13 27.318 19.736 29.251 1.00 0.00 N ATOM 1274 CA GLY B 13 28.085 19.959 28.016 1.00 0.00 C ATOM 1275 C GLY B 13 28.489 18.688 27.251 1.00 0.00 C ATOM 1276 O GLY B 13 29.101 18.788 26.182 1.00 0.00 O ATOM 0 H GLY B 13 26.311 19.798 29.099 1.00 0.00 H new ATOM 0 HA2 GLY B 13 27.495 20.590 27.351 1.00 0.00 H new ATOM 0 HA3 GLY B 13 28.989 20.515 28.265 1.00 0.00 H new ATOM 1280 N GLY B 14 28.154 17.497 27.761 1.00 0.00 N ATOM 1281 CA GLY B 14 28.446 16.207 27.118 1.00 0.00 C ATOM 1282 C GLY B 14 27.489 15.877 25.965 1.00 0.00 C ATOM 1283 O GLY B 14 26.270 16.014 26.106 1.00 0.00 O ATOM 0 H GLY B 14 27.663 17.399 28.650 1.00 0.00 H new ATOM 0 HA2 GLY B 14 29.469 16.219 26.741 1.00 0.00 H new ATOM 0 HA3 GLY B 14 28.391 15.415 27.865 1.00 0.00 H new ATOM 1287 N ARG B 15 28.027 15.412 24.830 1.00 0.00 N ATOM 1288 CA ARG B 15 27.258 14.937 23.665 1.00 0.00 C ATOM 1289 C ARG B 15 26.656 13.547 23.890 1.00 0.00 C ATOM 1290 O ARG B 15 27.253 12.706 24.568 1.00 0.00 O ATOM 1291 CB ARG B 15 28.157 14.942 22.408 1.00 0.00 C ATOM 1292 CG ARG B 15 28.192 16.339 21.777 1.00 0.00 C ATOM 1293 CD ARG B 15 27.012 16.552 20.814 1.00 0.00 C ATOM 1294 NE ARG B 15 26.661 17.975 20.724 1.00 0.00 N ATOM 1295 CZ ARG B 15 27.187 18.919 19.973 1.00 0.00 C ATOM 1296 NH1 ARG B 15 28.097 18.674 19.066 1.00 0.00 N1+ ATOM 1297 NH2 ARG B 15 26.779 20.145 20.129 1.00 0.00 N ATOM 0 H ARG B 15 29.036 15.353 24.690 1.00 0.00 H new ATOM 0 HA ARG B 15 26.423 15.622 23.520 1.00 0.00 H new ATOM 0 HB2 ARG B 15 29.167 14.632 22.675 1.00 0.00 H new ATOM 0 HB3 ARG B 15 27.783 14.219 21.683 1.00 0.00 H new ATOM 0 HG2 ARG B 15 28.163 17.095 22.562 1.00 0.00 H new ATOM 0 HG3 ARG B 15 29.131 16.473 21.239 1.00 0.00 H new ATOM 0 HD2 ARG B 15 27.271 16.174 19.825 1.00 0.00 H new ATOM 0 HD3 ARG B 15 26.149 15.981 21.157 1.00 0.00 H new ATOM 0 HE ARG B 15 25.899 18.275 21.332 1.00 0.00 H new ATOM 0 HH11 ARG B 15 28.426 17.720 18.919 1.00 0.00 H new ATOM 0 HH12 ARG B 15 28.477 19.437 18.506 1.00 0.00 H new ATOM 0 HH21 ARG B 15 26.064 20.360 20.824 1.00 0.00 H new ATOM 0 HH22 ARG B 15 27.174 20.891 19.557 1.00 0.00 H new ATOM 1311 N VAL B 16 25.507 13.309 23.264 1.00 0.00 N ATOM 1312 CA VAL B 16 24.822 12.007 23.195 1.00 0.00 C ATOM 1313 C VAL B 16 24.278 11.790 21.776 1.00 0.00 C ATOM 1314 O VAL B 16 23.729 12.703 21.161 1.00 0.00 O ATOM 1315 CB VAL B 16 23.712 11.879 24.261 1.00 0.00 C ATOM 1316 CG1 VAL B 16 22.947 10.553 24.181 1.00 0.00 C ATOM 1317 CG2 VAL B 16 24.254 12.006 25.689 1.00 0.00 C ATOM 0 H VAL B 16 25.001 14.043 22.768 1.00 0.00 H new ATOM 0 HA VAL B 16 25.545 11.222 23.418 1.00 0.00 H new ATOM 0 HB VAL B 16 23.036 12.704 24.038 1.00 0.00 H new ATOM 0 HG11 VAL B 16 22.182 10.527 24.957 1.00 0.00 H new ATOM 0 HG12 VAL B 16 22.475 10.464 23.203 1.00 0.00 H new ATOM 0 HG13 VAL B 16 23.640 9.724 24.327 1.00 0.00 H new ATOM 0 HG21 VAL B 16 23.433 11.909 26.400 1.00 0.00 H new ATOM 0 HG22 VAL B 16 24.987 11.220 25.871 1.00 0.00 H new ATOM 0 HG23 VAL B 16 24.728 12.980 25.813 1.00 0.00 H new ATOM 1327 N GLU B 17 24.432 10.569 21.263 1.00 0.00 N ATOM 1328 CA GLU B 17 23.942 10.117 19.950 1.00 0.00 C ATOM 1329 C GLU B 17 23.210 8.765 20.071 1.00 0.00 C ATOM 1330 O GLU B 17 23.640 7.889 20.822 1.00 0.00 O ATOM 1331 CB GLU B 17 25.099 10.005 18.945 1.00 0.00 C ATOM 1332 CG GLU B 17 25.736 11.360 18.595 1.00 0.00 C ATOM 1333 CD GLU B 17 26.866 11.232 17.545 1.00 0.00 C ATOM 1334 OE1 GLU B 17 27.030 12.164 16.720 1.00 0.00 O ATOM 1335 OE2 GLU B 17 27.609 10.220 17.530 1.00 0.00 O1- ATOM 0 H GLU B 17 24.922 9.832 21.769 1.00 0.00 H new ATOM 0 HA GLU B 17 23.234 10.861 19.584 1.00 0.00 H new ATOM 0 HB2 GLU B 17 25.865 9.347 19.356 1.00 0.00 H new ATOM 0 HB3 GLU B 17 24.733 9.537 18.031 1.00 0.00 H new ATOM 0 HG2 GLU B 17 24.966 12.032 18.215 1.00 0.00 H new ATOM 0 HG3 GLU B 17 26.137 11.814 19.501 1.00 0.00 H new ATOM 1342 N ILE B 18 22.105 8.600 19.336 1.00 0.00 N ATOM 1343 CA ILE B 18 21.188 7.449 19.450 1.00 0.00 C ATOM 1344 C ILE B 18 20.812 6.942 18.051 1.00 0.00 C ATOM 1345 O ILE B 18 20.279 7.710 17.244 1.00 0.00 O ATOM 1346 CB ILE B 18 19.929 7.824 20.281 1.00 0.00 C ATOM 1347 CG1 ILE B 18 20.282 8.441 21.658 1.00 0.00 C ATOM 1348 CG2 ILE B 18 19.012 6.595 20.457 1.00 0.00 C ATOM 1349 CD1 ILE B 18 19.091 9.065 22.385 1.00 0.00 C ATOM 0 H ILE B 18 21.813 9.274 18.629 1.00 0.00 H new ATOM 0 HA ILE B 18 21.694 6.642 19.980 1.00 0.00 H new ATOM 0 HB ILE B 18 19.397 8.591 19.719 1.00 0.00 H new ATOM 0 HG12 ILE B 18 20.715 7.667 22.291 1.00 0.00 H new ATOM 0 HG13 ILE B 18 21.048 9.203 21.517 1.00 0.00 H new ATOM 0 HG21 ILE B 18 18.136 6.876 21.041 1.00 0.00 H new ATOM 0 HG22 ILE B 18 18.696 6.234 19.478 1.00 0.00 H new ATOM 0 HG23 ILE B 18 19.556 5.806 20.976 1.00 0.00 H new ATOM 0 HD11 ILE B 18 19.421 9.474 23.340 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.670 9.863 21.774 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.332 8.303 22.560 1.00 0.00 H new ATOM 1361 N GLY B 19 21.079 5.666 17.764 1.00 0.00 N ATOM 1362 CA GLY B 19 20.799 5.014 16.477 1.00 0.00 C ATOM 1363 C GLY B 19 19.481 4.223 16.439 1.00 0.00 C ATOM 1364 O GLY B 19 18.894 3.908 17.477 1.00 0.00 O ATOM 0 H GLY B 19 21.510 5.036 18.440 1.00 0.00 H new ATOM 0 HA2 GLY B 19 20.775 5.774 15.696 1.00 0.00 H new ATOM 0 HA3 GLY B 19 21.621 4.339 16.239 1.00 0.00 H new ATOM 1368 N ASP B 20 19.030 3.877 15.229 1.00 0.00 N ATOM 1369 CA ASP B 20 17.805 3.100 14.943 1.00 0.00 C ATOM 1370 C ASP B 20 16.556 3.666 15.658 1.00 0.00 C ATOM 1371 O ASP B 20 15.794 2.944 16.305 1.00 0.00 O ATOM 1372 CB ASP B 20 18.011 1.584 15.140 1.00 0.00 C ATOM 1373 CG ASP B 20 19.302 1.029 14.506 1.00 0.00 C ATOM 1374 OD1 ASP B 20 19.707 1.491 13.411 1.00 0.00 O ATOM 1375 OD2 ASP B 20 19.909 0.093 15.084 1.00 0.00 O1- ATOM 0 H ASP B 20 19.527 4.140 14.378 1.00 0.00 H new ATOM 0 HA ASP B 20 17.596 3.224 13.880 1.00 0.00 H new ATOM 0 HB2 ASP B 20 18.023 1.367 16.208 1.00 0.00 H new ATOM 0 HB3 ASP B 20 17.157 1.056 14.717 1.00 0.00 H new ATOM 1380 N VAL B 21 16.383 4.989 15.591 1.00 0.00 N ATOM 1381 CA VAL B 21 15.284 5.716 16.238 1.00 0.00 C ATOM 1382 C VAL B 21 13.980 5.492 15.463 1.00 0.00 C ATOM 1383 O VAL B 21 13.882 5.781 14.268 1.00 0.00 O ATOM 1384 CB VAL B 21 15.627 7.203 16.413 1.00 0.00 C ATOM 1385 CG1 VAL B 21 14.446 8.004 16.973 1.00 0.00 C ATOM 1386 CG2 VAL B 21 16.806 7.353 17.384 1.00 0.00 C ATOM 0 H VAL B 21 17.016 5.599 15.074 1.00 0.00 H new ATOM 0 HA VAL B 21 15.137 5.321 17.243 1.00 0.00 H new ATOM 0 HB VAL B 21 15.879 7.591 15.426 1.00 0.00 H new ATOM 0 HG11 VAL B 21 14.734 9.050 17.080 1.00 0.00 H new ATOM 0 HG12 VAL B 21 13.599 7.929 16.291 1.00 0.00 H new ATOM 0 HG13 VAL B 21 14.164 7.604 17.947 1.00 0.00 H new ATOM 0 HG21 VAL B 21 17.046 8.409 17.505 1.00 0.00 H new ATOM 0 HG22 VAL B 21 16.537 6.929 18.351 1.00 0.00 H new ATOM 0 HG23 VAL B 21 17.674 6.827 16.986 1.00 0.00 H new ATOM 1396 N LEU B 22 12.978 4.955 16.157 1.00 0.00 N ATOM 1397 CA LEU B 22 11.695 4.503 15.612 1.00 0.00 C ATOM 1398 C LEU B 22 10.604 5.594 15.724 1.00 0.00 C ATOM 1399 O LEU B 22 9.745 5.706 14.848 1.00 0.00 O ATOM 1400 CB LEU B 22 11.335 3.215 16.379 1.00 0.00 C ATOM 1401 CG LEU B 22 10.243 2.351 15.737 1.00 0.00 C ATOM 1402 CD1 LEU B 22 10.733 1.674 14.457 1.00 0.00 C ATOM 1403 CD2 LEU B 22 9.825 1.243 16.709 1.00 0.00 C ATOM 0 H LEU B 22 13.040 4.816 17.166 1.00 0.00 H new ATOM 0 HA LEU B 22 11.767 4.301 14.543 1.00 0.00 H new ATOM 0 HB2 LEU B 22 12.236 2.612 16.485 1.00 0.00 H new ATOM 0 HB3 LEU B 22 11.014 3.488 17.384 1.00 0.00 H new ATOM 0 HG LEU B 22 9.409 3.012 15.500 1.00 0.00 H new ATOM 0 HD11 LEU B 22 9.929 1.071 14.034 1.00 0.00 H new ATOM 0 HD12 LEU B 22 11.035 2.434 13.736 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.584 1.033 14.687 1.00 0.00 H new ATOM 0 HD21 LEU B 22 9.049 0.630 16.250 1.00 0.00 H new ATOM 0 HD22 LEU B 22 10.688 0.620 16.943 1.00 0.00 H new ATOM 0 HD23 LEU B 22 9.440 1.689 17.626 1.00 0.00 H new ATOM 1415 N GLU B 23 10.670 6.426 16.770 1.00 0.00 N ATOM 1416 CA GLU B 23 9.801 7.587 17.007 1.00 0.00 C ATOM 1417 C GLU B 23 10.476 8.610 17.946 1.00 0.00 C ATOM 1418 O GLU B 23 11.200 8.223 18.868 1.00 0.00 O ATOM 1419 CB GLU B 23 8.447 7.106 17.582 1.00 0.00 C ATOM 1420 CG GLU B 23 7.490 8.241 17.974 1.00 0.00 C ATOM 1421 CD GLU B 23 6.070 7.764 18.321 1.00 0.00 C ATOM 1422 OE1 GLU B 23 5.850 6.585 18.688 1.00 0.00 O ATOM 1423 OE2 GLU B 23 5.135 8.596 18.248 1.00 0.00 O1- ATOM 0 H GLU B 23 11.362 6.303 17.509 1.00 0.00 H new ATOM 0 HA GLU B 23 9.623 8.095 16.059 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.957 6.471 16.844 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.637 6.487 18.459 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.904 8.773 18.831 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.433 8.955 17.153 1.00 0.00 H new ATOM 1430 N VAL B 24 10.191 9.911 17.769 1.00 0.00 N ATOM 1431 CA VAL B 24 10.482 10.980 18.755 1.00 0.00 C ATOM 1432 C VAL B 24 9.258 11.871 18.991 1.00 0.00 C ATOM 1433 O VAL B 24 8.442 12.047 18.087 1.00 0.00 O ATOM 1434 CB VAL B 24 11.714 11.836 18.394 1.00 0.00 C ATOM 1435 CG1 VAL B 24 12.934 10.976 18.045 1.00 0.00 C ATOM 1436 CG2 VAL B 24 11.494 12.814 17.238 1.00 0.00 C ATOM 0 H VAL B 24 9.743 10.262 16.922 1.00 0.00 H new ATOM 0 HA VAL B 24 10.727 10.463 19.683 1.00 0.00 H new ATOM 0 HB VAL B 24 11.891 12.413 19.301 1.00 0.00 H new ATOM 0 HG11 VAL B 24 13.776 11.622 17.798 1.00 0.00 H new ATOM 0 HG12 VAL B 24 13.195 10.351 18.899 1.00 0.00 H new ATOM 0 HG13 VAL B 24 12.700 10.342 17.190 1.00 0.00 H new ATOM 0 HG21 VAL B 24 12.412 13.373 17.054 1.00 0.00 H new ATOM 0 HG22 VAL B 24 11.220 12.260 16.340 1.00 0.00 H new ATOM 0 HG23 VAL B 24 10.693 13.507 17.495 1.00 0.00 H new ATOM 1446 N ARG B 25 9.152 12.470 20.183 1.00 0.00 N ATOM 1447 CA ARG B 25 8.063 13.384 20.594 1.00 0.00 C ATOM 1448 C ARG B 25 8.606 14.569 21.399 1.00 0.00 C ATOM 1449 O ARG B 25 9.471 14.379 22.254 1.00 0.00 O ATOM 1450 CB ARG B 25 7.004 12.633 21.430 1.00 0.00 C ATOM 1451 CG ARG B 25 6.366 11.445 20.697 1.00 0.00 C ATOM 1452 CD ARG B 25 5.228 10.817 21.514 1.00 0.00 C ATOM 1453 NE ARG B 25 4.619 9.700 20.769 1.00 0.00 N ATOM 1454 CZ ARG B 25 3.697 8.856 21.189 1.00 0.00 C ATOM 1455 NH1 ARG B 25 3.122 8.953 22.357 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 25 3.348 7.875 20.409 1.00 0.00 N ATOM 0 H ARG B 25 9.844 12.331 20.919 1.00 0.00 H new ATOM 0 HA ARG B 25 7.597 13.765 19.685 1.00 0.00 H new ATOM 0 HB2 ARG B 25 7.467 12.275 22.349 1.00 0.00 H new ATOM 0 HB3 ARG B 25 6.220 13.333 21.720 1.00 0.00 H new ATOM 0 HG2 ARG B 25 5.981 11.777 19.733 1.00 0.00 H new ATOM 0 HG3 ARG B 25 7.127 10.691 20.494 1.00 0.00 H new ATOM 0 HD2 ARG B 25 5.612 10.459 22.470 1.00 0.00 H new ATOM 0 HD3 ARG B 25 4.472 11.570 21.736 1.00 0.00 H new ATOM 0 HE ARG B 25 4.951 9.564 19.814 1.00 0.00 H new ATOM 0 HH11 ARG B 25 3.381 9.708 22.992 1.00 0.00 H new ATOM 0 HH12 ARG B 25 2.414 8.274 22.635 1.00 0.00 H new ATOM 0 HH21 ARG B 25 3.786 7.771 19.494 1.00 0.00 H new ATOM 0 HH22 ARG B 25 2.637 7.210 20.713 1.00 0.00 H new ATOM 1470 N ALA B 26 8.076 15.765 21.169 1.00 0.00 N ATOM 1471 CA ALA B 26 8.269 16.930 22.035 1.00 0.00 C ATOM 1472 C ALA B 26 7.066 17.045 22.986 1.00 0.00 C ATOM 1473 O ALA B 26 5.914 17.043 22.546 1.00 0.00 O ATOM 1474 CB ALA B 26 8.457 18.179 21.169 1.00 0.00 C ATOM 0 H ALA B 26 7.487 15.959 20.359 1.00 0.00 H new ATOM 0 HA ALA B 26 9.166 16.823 22.645 1.00 0.00 H new ATOM 0 HB1 ALA B 26 8.601 19.048 21.811 1.00 0.00 H new ATOM 0 HB2 ALA B 26 9.331 18.051 20.530 1.00 0.00 H new ATOM 0 HB3 ALA B 26 7.573 18.328 20.549 1.00 0.00 H new ATOM 1509 N ALA B 30 10.250 18.971 27.330 1.00 0.00 N ATOM 1510 CA ALA B 30 11.233 17.901 27.172 1.00 0.00 C ATOM 1511 C ALA B 30 11.097 17.224 25.797 1.00 0.00 C ATOM 1512 O ALA B 30 10.084 17.383 25.113 1.00 0.00 O ATOM 1513 CB ALA B 30 11.033 16.888 28.316 1.00 0.00 C ATOM 0 HA ALA B 30 12.240 18.314 27.221 1.00 0.00 H new ATOM 0 HB1 ALA B 30 11.758 16.080 28.217 1.00 0.00 H new ATOM 0 HB2 ALA B 30 11.176 17.388 29.274 1.00 0.00 H new ATOM 0 HB3 ALA B 30 10.024 16.479 28.267 1.00 0.00 H new ATOM 1519 N VAL B 31 12.096 16.424 25.418 1.00 0.00 N ATOM 1520 CA VAL B 31 12.002 15.478 24.286 1.00 0.00 C ATOM 1521 C VAL B 31 12.063 14.039 24.780 1.00 0.00 C ATOM 1522 O VAL B 31 12.853 13.711 25.667 1.00 0.00 O ATOM 1523 CB VAL B 31 13.060 15.761 23.204 1.00 0.00 C ATOM 1524 CG1 VAL B 31 13.071 14.710 22.080 1.00 0.00 C ATOM 1525 CG2 VAL B 31 12.776 17.107 22.543 1.00 0.00 C ATOM 0 H VAL B 31 13.002 16.409 25.886 1.00 0.00 H new ATOM 0 HA VAL B 31 11.032 15.627 23.811 1.00 0.00 H new ATOM 0 HB VAL B 31 14.022 15.744 23.716 1.00 0.00 H new ATOM 0 HG11 VAL B 31 13.838 14.967 21.349 1.00 0.00 H new ATOM 0 HG12 VAL B 31 13.286 13.728 22.502 1.00 0.00 H new ATOM 0 HG13 VAL B 31 12.097 14.690 21.591 1.00 0.00 H new ATOM 0 HG21 VAL B 31 13.528 17.303 21.778 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.788 17.085 22.084 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.810 17.896 23.295 1.00 0.00 H new ATOM 1535 N ARG B 32 11.235 13.175 24.185 1.00 0.00 N ATOM 1536 CA ARG B 32 11.227 11.717 24.384 1.00 0.00 C ATOM 1537 C ARG B 32 11.550 11.009 23.071 1.00 0.00 C ATOM 1538 O ARG B 32 11.128 11.461 22.007 1.00 0.00 O ATOM 1539 CB ARG B 32 9.863 11.266 24.926 1.00 0.00 C ATOM 1540 CG ARG B 32 9.590 11.816 26.335 1.00 0.00 C ATOM 1541 CD ARG B 32 8.145 11.570 26.773 1.00 0.00 C ATOM 1542 NE ARG B 32 7.864 10.140 26.988 1.00 0.00 N ATOM 1543 CZ ARG B 32 6.696 9.595 27.253 1.00 0.00 C ATOM 1544 NH1 ARG B 32 5.584 10.273 27.305 1.00 0.00 N1+ ATOM 1545 NH2 ARG B 32 6.646 8.315 27.473 1.00 0.00 N ATOM 0 H ARG B 32 10.522 13.482 23.524 1.00 0.00 H new ATOM 0 HA ARG B 32 11.991 11.452 25.115 1.00 0.00 H new ATOM 0 HB2 ARG B 32 9.076 11.599 24.249 1.00 0.00 H new ATOM 0 HB3 ARG B 32 9.825 10.177 24.949 1.00 0.00 H new ATOM 0 HG2 ARG B 32 10.270 11.347 27.046 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.798 12.886 26.354 1.00 0.00 H new ATOM 0 HD2 ARG B 32 7.948 12.120 27.693 1.00 0.00 H new ATOM 0 HD3 ARG B 32 7.466 11.962 26.016 1.00 0.00 H new ATOM 0 HE ARG B 32 8.659 9.505 26.925 1.00 0.00 H new ATOM 0 HH11 ARG B 32 5.592 11.279 27.136 1.00 0.00 H new ATOM 0 HH12 ARG B 32 4.706 9.798 27.515 1.00 0.00 H new ATOM 0 HH21 ARG B 32 7.500 7.758 27.438 1.00 0.00 H new ATOM 0 HH22 ARG B 32 5.753 7.868 27.681 1.00 0.00 H new ATOM 1559 N VAL B 33 12.285 9.904 23.147 1.00 0.00 N ATOM 1560 CA VAL B 33 12.720 9.115 21.974 1.00 0.00 C ATOM 1561 C VAL B 33 12.563 7.615 22.218 1.00 0.00 C ATOM 1562 O VAL B 33 12.809 7.138 23.323 1.00 0.00 O ATOM 1563 CB VAL B 33 14.151 9.473 21.514 1.00 0.00 C ATOM 1564 CG1 VAL B 33 14.384 10.985 21.390 1.00 0.00 C ATOM 1565 CG2 VAL B 33 15.245 8.934 22.438 1.00 0.00 C ATOM 0 H VAL B 33 12.606 9.516 24.034 1.00 0.00 H new ATOM 0 HA VAL B 33 12.057 9.387 21.153 1.00 0.00 H new ATOM 0 HB VAL B 33 14.222 8.995 20.537 1.00 0.00 H new ATOM 0 HG11 VAL B 33 15.407 11.170 21.063 1.00 0.00 H new ATOM 0 HG12 VAL B 33 13.689 11.402 20.660 1.00 0.00 H new ATOM 0 HG13 VAL B 33 14.221 11.459 22.358 1.00 0.00 H new ATOM 0 HG21 VAL B 33 16.222 9.224 22.052 1.00 0.00 H new ATOM 0 HG22 VAL B 33 15.112 9.347 23.438 1.00 0.00 H new ATOM 0 HG23 VAL B 33 15.181 7.847 22.483 1.00 0.00 H new ATOM 1575 N THR B 34 12.164 6.870 21.186 1.00 0.00 N ATOM 1576 CA THR B 34 11.923 5.415 21.219 1.00 0.00 C ATOM 1577 C THR B 34 12.734 4.720 20.126 1.00 0.00 C ATOM 1578 O THR B 34 12.740 5.174 18.980 1.00 0.00 O ATOM 1579 CB THR B 34 10.420 5.105 21.068 1.00 0.00 C ATOM 1580 OG1 THR B 34 9.689 5.725 22.105 1.00 0.00 O ATOM 1581 CG2 THR B 34 10.100 3.613 21.134 1.00 0.00 C ATOM 0 H THR B 34 11.991 7.273 20.265 1.00 0.00 H new ATOM 0 HA THR B 34 12.248 5.032 22.186 1.00 0.00 H new ATOM 0 HB THR B 34 10.142 5.483 20.084 1.00 0.00 H new ATOM 0 HG1 THR B 34 8.736 5.523 21.999 1.00 0.00 H new ATOM 0 HG21 THR B 34 9.026 3.466 21.021 1.00 0.00 H new ATOM 0 HG22 THR B 34 10.624 3.093 20.332 1.00 0.00 H new ATOM 0 HG23 THR B 34 10.422 3.214 22.096 1.00 0.00 H new ATOM 1589 N THR B 35 13.423 3.625 20.457 1.00 0.00 N ATOM 1590 CA THR B 35 14.305 2.888 19.530 1.00 0.00 C ATOM 1591 C THR B 35 13.659 1.617 18.966 1.00 0.00 C ATOM 1592 O THR B 35 12.640 1.119 19.460 1.00 0.00 O ATOM 1593 CB THR B 35 15.643 2.528 20.196 1.00 0.00 C ATOM 1594 OG1 THR B 35 15.441 1.584 21.221 1.00 0.00 O ATOM 1595 CG2 THR B 35 16.352 3.747 20.789 1.00 0.00 C ATOM 0 H THR B 35 13.387 3.214 21.390 1.00 0.00 H new ATOM 0 HA THR B 35 14.483 3.567 18.696 1.00 0.00 H new ATOM 0 HB THR B 35 16.276 2.113 19.411 1.00 0.00 H new ATOM 0 HG1 THR B 35 16.301 1.362 21.636 1.00 0.00 H new ATOM 0 HG21 THR B 35 17.291 3.435 21.246 1.00 0.00 H new ATOM 0 HG22 THR B 35 16.556 4.470 19.999 1.00 0.00 H new ATOM 0 HG23 THR B 35 15.715 4.206 21.545 1.00 0.00 H new ATOM 1603 N LEU B 36 14.308 1.050 17.941 1.00 0.00 N ATOM 1604 CA LEU B 36 14.013 -0.261 17.342 1.00 0.00 C ATOM 1605 C LEU B 36 13.887 -1.402 18.371 1.00 0.00 C ATOM 1606 O LEU B 36 13.081 -2.322 18.203 1.00 0.00 O ATOM 1607 CB LEU B 36 15.180 -0.540 16.376 1.00 0.00 C ATOM 1608 CG LEU B 36 15.137 -1.892 15.647 1.00 0.00 C ATOM 1609 CD1 LEU B 36 13.932 -1.961 14.713 1.00 0.00 C ATOM 1610 CD2 LEU B 36 16.422 -2.084 14.842 1.00 0.00 C ATOM 0 H LEU B 36 15.092 1.515 17.483 1.00 0.00 H new ATOM 0 HA LEU B 36 13.043 -0.228 16.847 1.00 0.00 H new ATOM 0 HB2 LEU B 36 15.206 0.253 15.629 1.00 0.00 H new ATOM 0 HB3 LEU B 36 16.113 -0.481 16.937 1.00 0.00 H new ATOM 0 HG LEU B 36 15.049 -2.685 16.390 1.00 0.00 H new ATOM 0 HD11 LEU B 36 13.919 -2.926 14.206 1.00 0.00 H new ATOM 0 HD12 LEU B 36 13.016 -1.843 15.292 1.00 0.00 H new ATOM 0 HD13 LEU B 36 13.999 -1.163 13.973 1.00 0.00 H new ATOM 0 HD21 LEU B 36 16.388 -3.044 14.326 1.00 0.00 H new ATOM 0 HD22 LEU B 36 16.516 -1.282 14.110 1.00 0.00 H new ATOM 0 HD23 LEU B 36 17.279 -2.064 15.515 1.00 0.00 H new ATOM 1622 N PHE B 37 14.671 -1.325 19.446 1.00 0.00 N ATOM 1623 CA PHE B 37 14.766 -2.325 20.514 1.00 0.00 C ATOM 1624 C PHE B 37 13.636 -2.238 21.557 1.00 0.00 C ATOM 1625 O PHE B 37 13.674 -2.934 22.573 1.00 0.00 O ATOM 1626 CB PHE B 37 16.164 -2.219 21.146 1.00 0.00 C ATOM 1627 CG PHE B 37 17.280 -2.158 20.117 1.00 0.00 C ATOM 1628 CD1 PHE B 37 17.547 -3.281 19.307 1.00 0.00 C ATOM 1629 CD2 PHE B 37 17.995 -0.961 19.905 1.00 0.00 C ATOM 1630 CE1 PHE B 37 18.509 -3.201 18.283 1.00 0.00 C ATOM 1631 CE2 PHE B 37 18.959 -0.886 18.887 1.00 0.00 C ATOM 1632 CZ PHE B 37 19.212 -2.003 18.070 1.00 0.00 C ATOM 0 H PHE B 37 15.287 -0.527 19.605 1.00 0.00 H new ATOM 0 HA PHE B 37 14.631 -3.313 20.074 1.00 0.00 H new ATOM 0 HB2 PHE B 37 16.206 -1.328 21.772 1.00 0.00 H new ATOM 0 HB3 PHE B 37 16.327 -3.076 21.799 1.00 0.00 H new ATOM 0 HD1 PHE B 37 17.012 -4.204 19.473 1.00 0.00 H new ATOM 0 HD2 PHE B 37 17.801 -0.100 20.527 1.00 0.00 H new ATOM 0 HE1 PHE B 37 18.707 -4.061 17.660 1.00 0.00 H new ATOM 0 HE2 PHE B 37 19.507 0.031 18.731 1.00 0.00 H new ATOM 0 HZ PHE B 37 19.946 -1.940 17.280 1.00 0.00 H new ATOM 1642 N ASP B 38 12.636 -1.382 21.322 1.00 0.00 N ATOM 1643 CA ASP B 38 11.527 -1.057 22.235 1.00 0.00 C ATOM 1644 C ASP B 38 11.978 -0.432 23.577 1.00 0.00 C ATOM 1645 O ASP B 38 11.250 -0.453 24.573 1.00 0.00 O ATOM 1646 CB ASP B 38 10.566 -2.253 22.380 1.00 0.00 C ATOM 1647 CG ASP B 38 9.181 -1.901 22.952 1.00 0.00 C ATOM 1648 OD1 ASP B 38 8.547 -2.799 23.566 1.00 0.00 O ATOM 1649 OD2 ASP B 38 8.682 -0.767 22.745 1.00 0.00 O1- ATOM 0 H ASP B 38 12.572 -0.868 20.443 1.00 0.00 H new ATOM 0 HA ASP B 38 10.956 -0.252 21.772 1.00 0.00 H new ATOM 0 HB2 ASP B 38 10.433 -2.715 21.402 1.00 0.00 H new ATOM 0 HB3 ASP B 38 11.031 -2.999 23.024 1.00 0.00 H new ATOM 1654 N GLU B 39 13.187 0.139 23.611 1.00 0.00 N ATOM 1655 CA GLU B 39 13.638 1.029 24.688 1.00 0.00 C ATOM 1656 C GLU B 39 13.167 2.467 24.454 1.00 0.00 C ATOM 1657 O GLU B 39 12.883 2.889 23.328 1.00 0.00 O ATOM 1658 CB GLU B 39 15.169 0.994 24.844 1.00 0.00 C ATOM 1659 CG GLU B 39 15.678 -0.299 25.491 1.00 0.00 C ATOM 1660 CD GLU B 39 15.146 -0.566 26.918 1.00 0.00 C ATOM 1661 OE1 GLU B 39 14.814 0.394 27.662 1.00 0.00 O ATOM 1662 OE2 GLU B 39 15.088 -1.754 27.330 1.00 0.00 O1- ATOM 0 H GLU B 39 13.888 -0.005 22.884 1.00 0.00 H new ATOM 0 HA GLU B 39 13.191 0.664 25.612 1.00 0.00 H new ATOM 0 HB2 GLU B 39 15.631 1.109 23.863 1.00 0.00 H new ATOM 0 HB3 GLU B 39 15.486 1.845 25.447 1.00 0.00 H new ATOM 0 HG2 GLU B 39 15.404 -1.140 24.854 1.00 0.00 H new ATOM 0 HG3 GLU B 39 16.767 -0.267 25.525 1.00 0.00 H new ATOM 1669 N GLU B 40 13.099 3.232 25.542 1.00 0.00 N ATOM 1670 CA GLU B 40 12.615 4.616 25.560 1.00 0.00 C ATOM 1671 C GLU B 40 13.461 5.487 26.504 1.00 0.00 C ATOM 1672 O GLU B 40 13.861 5.046 27.586 1.00 0.00 O ATOM 1673 CB GLU B 40 11.117 4.611 25.905 1.00 0.00 C ATOM 1674 CG GLU B 40 10.435 5.983 25.803 1.00 0.00 C ATOM 1675 CD GLU B 40 10.220 6.734 27.134 1.00 0.00 C ATOM 1676 OE1 GLU B 40 9.320 7.610 27.172 1.00 0.00 O ATOM 1677 OE2 GLU B 40 10.922 6.475 28.141 1.00 0.00 O1- ATOM 0 H GLU B 40 13.387 2.899 26.462 1.00 0.00 H new ATOM 0 HA GLU B 40 12.727 5.070 24.575 1.00 0.00 H new ATOM 0 HB2 GLU B 40 10.606 3.915 25.239 1.00 0.00 H new ATOM 0 HB3 GLU B 40 10.992 4.232 26.919 1.00 0.00 H new ATOM 0 HG2 GLU B 40 11.032 6.615 25.145 1.00 0.00 H new ATOM 0 HG3 GLU B 40 9.465 5.849 25.324 1.00 0.00 H new ATOM 1684 N HIS B 41 13.747 6.719 26.079 1.00 0.00 N ATOM 1685 CA HIS B 41 14.595 7.685 26.788 1.00 0.00 C ATOM 1686 C HIS B 41 13.948 9.073 26.795 1.00 0.00 C ATOM 1687 O HIS B 41 13.177 9.398 25.889 1.00 0.00 O ATOM 1688 CB HIS B 41 15.997 7.741 26.155 1.00 0.00 C ATOM 1689 CG HIS B 41 16.667 6.400 25.984 1.00 0.00 C ATOM 1690 ND1 HIS B 41 17.296 5.669 26.995 1.00 0.00 N ATOM 1691 CD2 HIS B 41 16.709 5.682 24.822 1.00 0.00 C ATOM 1692 CE1 HIS B 41 17.696 4.523 26.416 1.00 0.00 C ATOM 1693 NE2 HIS B 41 17.356 4.504 25.115 1.00 0.00 N ATOM 0 H HIS B 41 13.382 7.087 25.200 1.00 0.00 H new ATOM 0 HA HIS B 41 14.699 7.354 27.821 1.00 0.00 H new ATOM 0 HB2 HIS B 41 15.921 8.221 25.179 1.00 0.00 H new ATOM 0 HB3 HIS B 41 16.634 8.374 26.773 1.00 0.00 H new ATOM 0 HD2 HIS B 41 16.312 5.981 23.863 1.00 0.00 H new ATOM 0 HE1 HIS B 41 18.219 3.727 26.926 1.00 0.00 H new ATOM 0 HE2 HIS B 41 17.545 3.747 24.459 1.00 0.00 H new ATOM 1701 N ALA B 42 14.273 9.898 27.798 1.00 0.00 N ATOM 1702 CA ALA B 42 13.702 11.235 27.987 1.00 0.00 C ATOM 1703 C ALA B 42 14.763 12.263 28.413 1.00 0.00 C ATOM 1704 O ALA B 42 15.654 11.964 29.216 1.00 0.00 O ATOM 1705 CB ALA B 42 12.556 11.153 29.007 1.00 0.00 C ATOM 0 H ALA B 42 14.954 9.649 28.515 1.00 0.00 H new ATOM 0 HA ALA B 42 13.310 11.584 27.032 1.00 0.00 H new ATOM 0 HB1 ALA B 42 12.127 12.144 29.152 1.00 0.00 H new ATOM 0 HB2 ALA B 42 11.787 10.475 28.636 1.00 0.00 H new ATOM 0 HB3 ALA B 42 12.940 10.781 29.957 1.00 0.00 H new ATOM 1711 N PHE B 43 14.641 13.480 27.884 1.00 0.00 N ATOM 1712 CA PHE B 43 15.632 14.554 27.994 1.00 0.00 C ATOM 1713 C PHE B 43 14.936 15.904 28.285 1.00 0.00 C ATOM 1714 O PHE B 43 14.502 16.597 27.352 1.00 0.00 O ATOM 1715 CB PHE B 43 16.479 14.588 26.719 1.00 0.00 C ATOM 1716 CG PHE B 43 17.160 13.271 26.382 1.00 0.00 C ATOM 1717 CD1 PHE B 43 16.683 12.476 25.323 1.00 0.00 C ATOM 1718 CD2 PHE B 43 18.259 12.836 27.148 1.00 0.00 C ATOM 1719 CE1 PHE B 43 17.306 11.246 25.034 1.00 0.00 C ATOM 1720 CE2 PHE B 43 18.874 11.603 26.863 1.00 0.00 C ATOM 1721 CZ PHE B 43 18.392 10.807 25.810 1.00 0.00 C ATOM 0 H PHE B 43 13.819 13.757 27.347 1.00 0.00 H new ATOM 0 HA PHE B 43 16.301 14.365 28.834 1.00 0.00 H new ATOM 0 HB2 PHE B 43 15.843 14.879 25.883 1.00 0.00 H new ATOM 0 HB3 PHE B 43 17.241 15.361 26.824 1.00 0.00 H new ATOM 0 HD1 PHE B 43 15.841 12.808 24.733 1.00 0.00 H new ATOM 0 HD2 PHE B 43 18.630 13.450 27.955 1.00 0.00 H new ATOM 0 HE1 PHE B 43 16.948 10.640 24.215 1.00 0.00 H new ATOM 0 HE2 PHE B 43 19.715 11.269 27.452 1.00 0.00 H new ATOM 0 HZ PHE B 43 18.857 9.856 25.597 1.00 0.00 H new ATOM 1731 N PRO B 44 14.805 16.289 29.571 1.00 0.00 N ATOM 1732 CA PRO B 44 14.230 17.574 29.986 1.00 0.00 C ATOM 1733 C PRO B 44 15.009 18.794 29.476 1.00 0.00 C ATOM 1734 O PRO B 44 16.242 18.776 29.374 1.00 0.00 O ATOM 1735 CB PRO B 44 14.165 17.537 31.519 1.00 0.00 C ATOM 1736 CG PRO B 44 14.117 16.043 31.829 1.00 0.00 C ATOM 1737 CD PRO B 44 15.017 15.452 30.749 1.00 0.00 C ATOM 0 HA PRO B 44 13.241 17.695 29.543 1.00 0.00 H new ATOM 0 HB2 PRO B 44 15.035 18.014 31.971 1.00 0.00 H new ATOM 0 HB3 PRO B 44 13.284 18.056 31.898 1.00 0.00 H new ATOM 0 HG2 PRO B 44 14.488 15.824 32.830 1.00 0.00 H new ATOM 0 HG3 PRO B 44 13.102 15.649 31.772 1.00 0.00 H new ATOM 0 HD2 PRO B 44 16.062 15.465 31.058 1.00 0.00 H new ATOM 0 HD3 PRO B 44 14.757 14.413 30.545 1.00 0.00 H new ATOM 1745 N GLY B 45 14.282 19.875 29.183 1.00 0.00 N ATOM 1746 CA GLY B 45 14.834 21.160 28.732 1.00 0.00 C ATOM 1747 C GLY B 45 15.173 21.219 27.238 1.00 0.00 C ATOM 1748 O GLY B 45 15.770 22.199 26.796 1.00 0.00 O ATOM 0 H GLY B 45 13.265 19.883 29.254 1.00 0.00 H new ATOM 0 HA2 GLY B 45 14.117 21.949 28.960 1.00 0.00 H new ATOM 0 HA3 GLY B 45 15.736 21.374 29.305 1.00 0.00 H new ATOM 1752 N LEU B 46 14.802 20.203 26.454 1.00 0.00 N ATOM 1753 CA LEU B 46 15.007 20.146 25.000 1.00 0.00 C ATOM 1754 C LEU B 46 13.702 20.301 24.195 1.00 0.00 C ATOM 1755 O LEU B 46 12.604 20.063 24.699 1.00 0.00 O ATOM 1756 CB LEU B 46 15.722 18.834 24.614 1.00 0.00 C ATOM 1757 CG LEU B 46 17.123 18.632 25.225 1.00 0.00 C ATOM 1758 CD1 LEU B 46 17.743 17.362 24.648 1.00 0.00 C ATOM 1759 CD2 LEU B 46 18.096 19.770 24.916 1.00 0.00 C ATOM 0 H LEU B 46 14.337 19.373 26.822 1.00 0.00 H new ATOM 0 HA LEU B 46 15.634 20.999 24.740 1.00 0.00 H new ATOM 0 HB2 LEU B 46 15.091 17.997 24.912 1.00 0.00 H new ATOM 0 HB3 LEU B 46 15.810 18.796 23.528 1.00 0.00 H new ATOM 0 HG LEU B 46 16.975 18.584 26.304 1.00 0.00 H new ATOM 0 HD11 LEU B 46 18.734 17.214 25.077 1.00 0.00 H new ATOM 0 HD12 LEU B 46 17.112 16.507 24.889 1.00 0.00 H new ATOM 0 HD13 LEU B 46 17.826 17.457 23.565 1.00 0.00 H new ATOM 0 HD21 LEU B 46 19.061 19.559 25.378 1.00 0.00 H new ATOM 0 HD22 LEU B 46 18.222 19.858 23.837 1.00 0.00 H new ATOM 0 HD23 LEU B 46 17.700 20.705 25.313 1.00 0.00 H new ATOM 1771 N ALA B 47 13.860 20.629 22.909 1.00 0.00 N ATOM 1772 CA ALA B 47 12.858 20.572 21.845 1.00 0.00 C ATOM 1773 C ALA B 47 13.510 20.086 20.530 1.00 0.00 C ATOM 1774 O ALA B 47 14.728 20.188 20.359 1.00 0.00 O ATOM 1775 CB ALA B 47 12.211 21.953 21.688 1.00 0.00 C ATOM 0 H ALA B 47 14.758 20.966 22.561 1.00 0.00 H new ATOM 0 HA ALA B 47 12.076 19.858 22.103 1.00 0.00 H new ATOM 0 HB1 ALA B 47 11.463 21.916 20.896 1.00 0.00 H new ATOM 0 HB2 ALA B 47 11.734 22.240 22.625 1.00 0.00 H new ATOM 0 HB3 ALA B 47 12.976 22.686 21.431 1.00 0.00 H new ATOM 1781 N ILE B 48 12.712 19.572 19.586 1.00 0.00 N ATOM 1782 CA ILE B 48 13.193 19.190 18.244 1.00 0.00 C ATOM 1783 C ILE B 48 13.495 20.472 17.446 1.00 0.00 C ATOM 1784 O ILE B 48 12.581 21.244 17.138 1.00 0.00 O ATOM 1785 CB ILE B 48 12.171 18.279 17.512 1.00 0.00 C ATOM 1786 CG1 ILE B 48 11.887 16.955 18.274 1.00 0.00 C ATOM 1787 CG2 ILE B 48 12.673 17.942 16.094 1.00 0.00 C ATOM 1788 CD1 ILE B 48 10.497 16.388 17.971 1.00 0.00 C ATOM 0 H ILE B 48 11.715 19.408 19.726 1.00 0.00 H new ATOM 0 HA ILE B 48 14.108 18.604 18.337 1.00 0.00 H new ATOM 0 HB ILE B 48 11.239 18.842 17.463 1.00 0.00 H new ATOM 0 HG12 ILE B 48 12.643 16.217 18.006 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.978 17.130 19.346 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.946 17.303 15.593 1.00 0.00 H new ATOM 0 HG22 ILE B 48 12.800 18.863 15.525 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.629 17.422 16.160 1.00 0.00 H new ATOM 0 HD11 ILE B 48 10.352 15.463 18.529 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.737 17.112 18.264 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.412 16.184 16.904 1.00 0.00 H new ATOM 1800 N GLY B 49 14.773 20.720 17.138 1.00 0.00 N ATOM 1801 CA GLY B 49 15.222 21.918 16.420 1.00 0.00 C ATOM 1802 C GLY B 49 15.136 21.780 14.896 1.00 0.00 C ATOM 1803 O GLY B 49 14.638 22.679 14.215 1.00 0.00 O ATOM 0 H GLY B 49 15.534 20.086 17.383 1.00 0.00 H new ATOM 0 HA2 GLY B 49 14.619 22.769 16.735 1.00 0.00 H new ATOM 0 HA3 GLY B 49 16.252 22.136 16.700 1.00 0.00 H new ATOM 1807 N ARG B 50 15.603 20.643 14.365 1.00 0.00 N ATOM 1808 CA ARG B 50 15.581 20.303 12.930 1.00 0.00 C ATOM 1809 C ARG B 50 15.561 18.796 12.679 1.00 0.00 C ATOM 1810 O ARG B 50 15.988 18.005 13.521 1.00 0.00 O ATOM 1811 CB ARG B 50 16.757 20.976 12.189 1.00 0.00 C ATOM 1812 CG ARG B 50 18.139 20.634 12.773 1.00 0.00 C ATOM 1813 CD ARG B 50 19.318 21.008 11.862 1.00 0.00 C ATOM 1814 NE ARG B 50 19.245 22.388 11.341 1.00 0.00 N ATOM 1815 CZ ARG B 50 18.950 22.747 10.099 1.00 0.00 C ATOM 1816 NH1 ARG B 50 18.639 21.901 9.166 1.00 0.00 N1+ ATOM 1817 NH2 ARG B 50 18.949 24.003 9.752 1.00 0.00 N ATOM 0 H ARG B 50 16.020 19.909 14.937 1.00 0.00 H new ATOM 0 HA ARG B 50 14.647 20.695 12.528 1.00 0.00 H new ATOM 0 HB2 ARG B 50 16.732 20.677 11.141 1.00 0.00 H new ATOM 0 HB3 ARG B 50 16.620 22.057 12.216 1.00 0.00 H new ATOM 0 HG2 ARG B 50 18.255 21.148 13.727 1.00 0.00 H new ATOM 0 HG3 ARG B 50 18.179 19.565 12.980 1.00 0.00 H new ATOM 0 HD2 ARG B 50 20.248 20.886 12.417 1.00 0.00 H new ATOM 0 HD3 ARG B 50 19.354 20.313 11.023 1.00 0.00 H new ATOM 0 HE ARG B 50 19.441 23.140 12.002 1.00 0.00 H new ATOM 0 HH11 ARG B 50 18.612 20.902 9.371 1.00 0.00 H new ATOM 0 HH12 ARG B 50 18.421 22.235 8.227 1.00 0.00 H new ATOM 0 HH21 ARG B 50 19.177 24.722 10.439 1.00 0.00 H new ATOM 0 HH22 ARG B 50 18.720 24.267 8.794 1.00 0.00 H new ATOM 1831 N VAL B 51 15.121 18.433 11.479 1.00 0.00 N ATOM 1832 CA VAL B 51 15.167 17.077 10.916 1.00 0.00 C ATOM 1833 C VAL B 51 15.767 17.155 9.510 1.00 0.00 C ATOM 1834 O VAL B 51 15.184 17.764 8.612 1.00 0.00 O ATOM 1835 CB VAL B 51 13.767 16.418 10.893 1.00 0.00 C ATOM 1836 CG1 VAL B 51 13.904 14.921 10.580 1.00 0.00 C ATOM 1837 CG2 VAL B 51 12.996 16.563 12.213 1.00 0.00 C ATOM 0 H VAL B 51 14.701 19.105 10.837 1.00 0.00 H new ATOM 0 HA VAL B 51 15.792 16.447 11.548 1.00 0.00 H new ATOM 0 HB VAL B 51 13.201 16.941 10.122 1.00 0.00 H new ATOM 0 HG11 VAL B 51 12.916 14.461 10.565 1.00 0.00 H new ATOM 0 HG12 VAL B 51 14.378 14.795 9.607 1.00 0.00 H new ATOM 0 HG13 VAL B 51 14.515 14.444 11.346 1.00 0.00 H new ATOM 0 HG21 VAL B 51 12.024 16.077 12.122 1.00 0.00 H new ATOM 0 HG22 VAL B 51 13.562 16.095 13.018 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.853 17.620 12.437 1.00 0.00 H new ATOM 1847 N ASP B 52 16.945 16.561 9.320 1.00 0.00 N ATOM 1848 CA ASP B 52 17.674 16.529 8.047 1.00 0.00 C ATOM 1849 C ASP B 52 17.482 15.157 7.373 1.00 0.00 C ATOM 1850 O ASP B 52 18.262 14.224 7.591 1.00 0.00 O ATOM 1851 CB ASP B 52 19.162 16.869 8.264 1.00 0.00 C ATOM 1852 CG ASP B 52 19.459 18.233 8.914 1.00 0.00 C ATOM 1853 OD1 ASP B 52 20.632 18.449 9.302 1.00 0.00 O ATOM 1854 OD2 ASP B 52 18.568 19.111 9.006 1.00 0.00 O1- ATOM 0 H ASP B 52 17.436 16.073 10.069 1.00 0.00 H new ATOM 0 HA ASP B 52 17.271 17.289 7.378 1.00 0.00 H new ATOM 0 HB2 ASP B 52 19.605 16.090 8.885 1.00 0.00 H new ATOM 0 HB3 ASP B 52 19.666 16.832 7.298 1.00 0.00 H new ATOM 1859 N LEU B 53 16.425 15.012 6.565 1.00 0.00 N ATOM 1860 CA LEU B 53 16.005 13.730 5.974 1.00 0.00 C ATOM 1861 C LEU B 53 17.021 13.144 4.979 1.00 0.00 C ATOM 1862 O LEU B 53 16.971 11.947 4.710 1.00 0.00 O ATOM 1863 CB LEU B 53 14.632 13.860 5.284 1.00 0.00 C ATOM 1864 CG LEU B 53 13.393 14.144 6.155 1.00 0.00 C ATOM 1865 CD1 LEU B 53 13.227 13.111 7.269 1.00 0.00 C ATOM 1866 CD2 LEU B 53 13.343 15.548 6.747 1.00 0.00 C ATOM 0 H LEU B 53 15.826 15.793 6.297 1.00 0.00 H new ATOM 0 HA LEU B 53 15.938 13.036 6.812 1.00 0.00 H new ATOM 0 HB2 LEU B 53 14.707 14.658 4.545 1.00 0.00 H new ATOM 0 HB3 LEU B 53 14.447 12.935 4.737 1.00 0.00 H new ATOM 0 HG LEU B 53 12.558 14.067 5.459 1.00 0.00 H new ATOM 0 HD11 LEU B 53 12.341 13.350 7.858 1.00 0.00 H new ATOM 0 HD12 LEU B 53 13.115 12.119 6.832 1.00 0.00 H new ATOM 0 HD13 LEU B 53 14.106 13.126 7.913 1.00 0.00 H new ATOM 0 HD21 LEU B 53 12.438 15.659 7.344 1.00 0.00 H new ATOM 0 HD22 LEU B 53 14.217 15.708 7.379 1.00 0.00 H new ATOM 0 HD23 LEU B 53 13.338 16.282 5.942 1.00 0.00 H new ATOM 1878 N ARG B 54 17.974 13.940 4.479 1.00 0.00 N ATOM 1879 CA ARG B 54 19.088 13.494 3.611 1.00 0.00 C ATOM 1880 C ARG B 54 19.998 12.441 4.273 1.00 0.00 C ATOM 1881 O ARG B 54 20.645 11.661 3.572 1.00 0.00 O ATOM 1882 CB ARG B 54 19.929 14.702 3.171 1.00 0.00 C ATOM 1883 CG ARG B 54 19.115 15.838 2.528 1.00 0.00 C ATOM 1884 CD ARG B 54 20.044 16.942 2.008 1.00 0.00 C ATOM 1885 NE ARG B 54 19.316 18.206 1.761 1.00 0.00 N ATOM 1886 CZ ARG B 54 19.068 19.154 2.648 1.00 0.00 C ATOM 1887 NH1 ARG B 54 19.450 19.093 3.891 1.00 0.00 N1+ ATOM 1888 NH2 ARG B 54 18.424 20.239 2.332 1.00 0.00 N ATOM 0 H ARG B 54 17.999 14.942 4.668 1.00 0.00 H new ATOM 0 HA ARG B 54 18.630 13.014 2.746 1.00 0.00 H new ATOM 0 HB2 ARG B 54 20.459 15.096 4.038 1.00 0.00 H new ATOM 0 HB3 ARG B 54 20.685 14.365 2.461 1.00 0.00 H new ATOM 0 HG2 ARG B 54 18.516 15.444 1.707 1.00 0.00 H new ATOM 0 HG3 ARG B 54 18.421 16.254 3.259 1.00 0.00 H new ATOM 0 HD2 ARG B 54 20.840 17.117 2.732 1.00 0.00 H new ATOM 0 HD3 ARG B 54 20.520 16.611 1.085 1.00 0.00 H new ATOM 0 HE ARG B 54 18.972 18.361 0.813 1.00 0.00 H new ATOM 0 HH11 ARG B 54 19.970 18.282 4.225 1.00 0.00 H new ATOM 0 HH12 ARG B 54 19.229 19.856 4.530 1.00 0.00 H new ATOM 0 HH21 ARG B 54 18.095 20.377 1.376 1.00 0.00 H new ATOM 0 HH22 ARG B 54 18.248 20.952 3.040 1.00 0.00 H new ATOM 1902 N SER B 55 20.037 12.415 5.609 1.00 0.00 N ATOM 1903 CA SER B 55 20.786 11.459 6.444 1.00 0.00 C ATOM 1904 C SER B 55 19.948 10.899 7.616 1.00 0.00 C ATOM 1905 O SER B 55 20.416 10.072 8.406 1.00 0.00 O ATOM 1906 CB SER B 55 22.082 12.144 6.910 1.00 0.00 C ATOM 1907 OG SER B 55 22.977 11.254 7.566 1.00 0.00 O ATOM 0 H SER B 55 19.522 13.093 6.170 1.00 0.00 H new ATOM 0 HA SER B 55 21.036 10.580 5.850 1.00 0.00 H new ATOM 0 HB2 SER B 55 22.583 12.585 6.048 1.00 0.00 H new ATOM 0 HB3 SER B 55 21.831 12.962 7.586 1.00 0.00 H new ATOM 0 HG SER B 55 23.351 11.692 8.359 1.00 0.00 H new ATOM 1913 N GLY B 56 18.690 11.335 7.753 1.00 0.00 N ATOM 1914 CA GLY B 56 17.790 10.969 8.857 1.00 0.00 C ATOM 1915 C GLY B 56 18.211 11.538 10.217 1.00 0.00 C ATOM 1916 O GLY B 56 17.902 10.944 11.253 1.00 0.00 O ATOM 0 H GLY B 56 18.257 11.969 7.082 1.00 0.00 H new ATOM 0 HA2 GLY B 56 16.784 11.318 8.624 1.00 0.00 H new ATOM 0 HA3 GLY B 56 17.742 9.882 8.928 1.00 0.00 H new ATOM 1920 N VAL B 57 18.963 12.646 10.235 1.00 0.00 N ATOM 1921 CA VAL B 57 19.471 13.265 11.474 1.00 0.00 C ATOM 1922 C VAL B 57 18.404 14.139 12.138 1.00 0.00 C ATOM 1923 O VAL B 57 17.971 15.142 11.568 1.00 0.00 O ATOM 1924 CB VAL B 57 20.769 14.061 11.233 1.00 0.00 C ATOM 1925 CG1 VAL B 57 21.249 14.795 12.491 1.00 0.00 C ATOM 1926 CG2 VAL B 57 21.898 13.117 10.809 1.00 0.00 C ATOM 0 H VAL B 57 19.239 13.143 9.388 1.00 0.00 H new ATOM 0 HA VAL B 57 19.714 12.452 12.159 1.00 0.00 H new ATOM 0 HB VAL B 57 20.538 14.788 10.455 1.00 0.00 H new ATOM 0 HG11 VAL B 57 22.166 15.340 12.267 1.00 0.00 H new ATOM 0 HG12 VAL B 57 20.481 15.496 12.818 1.00 0.00 H new ATOM 0 HG13 VAL B 57 21.441 14.072 13.283 1.00 0.00 H new ATOM 0 HG21 VAL B 57 22.809 13.691 10.642 1.00 0.00 H new ATOM 0 HG22 VAL B 57 22.072 12.382 11.595 1.00 0.00 H new ATOM 0 HG23 VAL B 57 21.618 12.605 9.888 1.00 0.00 H new ATOM 1936 N ILE B 58 18.012 13.783 13.356 1.00 0.00 N ATOM 1937 CA ILE B 58 17.171 14.598 14.249 1.00 0.00 C ATOM 1938 C ILE B 58 18.098 15.342 15.222 1.00 0.00 C ATOM 1939 O ILE B 58 18.820 14.704 15.991 1.00 0.00 O ATOM 1940 CB ILE B 58 16.153 13.686 14.976 1.00 0.00 C ATOM 1941 CG1 ILE B 58 15.102 13.152 13.980 1.00 0.00 C ATOM 1942 CG2 ILE B 58 15.465 14.414 16.146 1.00 0.00 C ATOM 1943 CD1 ILE B 58 14.273 11.974 14.514 1.00 0.00 C ATOM 0 H ILE B 58 18.276 12.889 13.771 1.00 0.00 H new ATOM 0 HA ILE B 58 16.592 15.335 13.693 1.00 0.00 H new ATOM 0 HB ILE B 58 16.706 12.845 15.394 1.00 0.00 H new ATOM 0 HG12 ILE B 58 14.427 13.964 13.710 1.00 0.00 H new ATOM 0 HG13 ILE B 58 15.608 12.841 13.066 1.00 0.00 H new ATOM 0 HG21 ILE B 58 14.759 13.739 16.629 1.00 0.00 H new ATOM 0 HG22 ILE B 58 16.216 14.732 16.869 1.00 0.00 H new ATOM 0 HG23 ILE B 58 14.933 15.287 15.769 1.00 0.00 H new ATOM 0 HD11 ILE B 58 13.558 11.658 13.754 1.00 0.00 H new ATOM 0 HD12 ILE B 58 14.936 11.143 14.757 1.00 0.00 H new ATOM 0 HD13 ILE B 58 13.736 12.284 15.411 1.00 0.00 H new ATOM 1955 N SER B 59 18.084 16.677 15.208 1.00 0.00 N ATOM 1956 CA SER B 59 18.890 17.511 16.117 1.00 0.00 C ATOM 1957 C SER B 59 18.010 18.182 17.174 1.00 0.00 C ATOM 1958 O SER B 59 17.045 18.877 16.839 1.00 0.00 O ATOM 1959 CB SER B 59 19.656 18.572 15.334 1.00 0.00 C ATOM 1960 OG SER B 59 20.615 19.202 16.160 1.00 0.00 O ATOM 0 H SER B 59 17.510 17.219 14.562 1.00 0.00 H new ATOM 0 HA SER B 59 19.602 16.858 16.622 1.00 0.00 H new ATOM 0 HB2 SER B 59 20.150 18.114 14.477 1.00 0.00 H new ATOM 0 HB3 SER B 59 18.961 19.315 14.942 1.00 0.00 H new ATOM 0 HG SER B 59 21.099 19.879 15.642 1.00 0.00 H new ATOM 1966 N LEU B 60 18.342 17.979 18.450 1.00 0.00 N ATOM 1967 CA LEU B 60 17.630 18.578 19.579 1.00 0.00 C ATOM 1968 C LEU B 60 18.352 19.843 20.088 1.00 0.00 C ATOM 1969 O LEU B 60 19.584 19.895 20.133 1.00 0.00 O ATOM 1970 CB LEU B 60 17.431 17.538 20.694 1.00 0.00 C ATOM 1971 CG LEU B 60 16.864 16.171 20.246 1.00 0.00 C ATOM 1972 CD1 LEU B 60 16.589 15.310 21.483 1.00 0.00 C ATOM 1973 CD2 LEU B 60 15.560 16.294 19.455 1.00 0.00 C ATOM 0 H LEU B 60 19.123 17.386 18.731 1.00 0.00 H new ATOM 0 HA LEU B 60 16.644 18.896 19.240 1.00 0.00 H new ATOM 0 HB2 LEU B 60 18.390 17.369 21.183 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.761 17.960 21.443 1.00 0.00 H new ATOM 0 HG LEU B 60 17.611 15.719 19.594 1.00 0.00 H new ATOM 0 HD11 LEU B 60 16.189 14.345 21.173 1.00 0.00 H new ATOM 0 HD12 LEU B 60 17.517 15.158 22.034 1.00 0.00 H new ATOM 0 HD13 LEU B 60 15.865 15.814 22.123 1.00 0.00 H new ATOM 0 HD21 LEU B 60 15.213 15.301 19.169 1.00 0.00 H new ATOM 0 HD22 LEU B 60 14.804 16.779 20.073 1.00 0.00 H new ATOM 0 HD23 LEU B 60 15.733 16.890 18.559 1.00 0.00 H new ATOM 1985 N ILE B 61 17.573 20.849 20.493 1.00 0.00 N ATOM 1986 CA ILE B 61 18.039 22.164 20.970 1.00 0.00 C ATOM 1987 C ILE B 61 17.399 22.523 22.316 1.00 0.00 C ATOM 1988 O ILE B 61 16.335 22.013 22.658 1.00 0.00 O ATOM 1989 CB ILE B 61 17.821 23.264 19.896 1.00 0.00 C ATOM 1990 CG1 ILE B 61 16.353 23.513 19.481 1.00 0.00 C ATOM 1991 CG2 ILE B 61 18.658 22.936 18.648 1.00 0.00 C ATOM 1992 CD1 ILE B 61 15.584 24.483 20.383 1.00 0.00 C ATOM 0 H ILE B 61 16.556 20.771 20.500 1.00 0.00 H new ATOM 0 HA ILE B 61 19.114 22.102 21.139 1.00 0.00 H new ATOM 0 HB ILE B 61 18.144 24.191 20.369 1.00 0.00 H new ATOM 0 HG12 ILE B 61 16.339 23.899 18.462 1.00 0.00 H new ATOM 0 HG13 ILE B 61 15.828 22.558 19.467 1.00 0.00 H new ATOM 0 HG21 ILE B 61 18.505 23.708 17.894 1.00 0.00 H new ATOM 0 HG22 ILE B 61 19.713 22.896 18.918 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.350 21.971 18.246 1.00 0.00 H new ATOM 0 HD11 ILE B 61 14.565 24.594 20.013 1.00 0.00 H new ATOM 0 HD12 ILE B 61 15.560 24.092 21.400 1.00 0.00 H new ATOM 0 HD13 ILE B 61 16.079 25.454 20.379 1.00 0.00 H new ATOM 2004 N GLU B 62 18.041 23.400 23.085 1.00 0.00 N ATOM 2005 CA GLU B 62 17.552 23.877 24.384 1.00 0.00 C ATOM 2006 C GLU B 62 16.269 24.712 24.241 1.00 0.00 C ATOM 2007 O GLU B 62 16.274 25.781 23.630 1.00 0.00 O ATOM 2008 CB GLU B 62 18.635 24.693 25.112 1.00 0.00 C ATOM 2009 CG GLU B 62 19.921 23.909 25.439 1.00 0.00 C ATOM 2010 CD GLU B 62 20.971 23.840 24.306 1.00 0.00 C ATOM 2011 OE1 GLU B 62 20.714 24.277 23.158 1.00 0.00 O ATOM 2012 OE2 GLU B 62 22.092 23.336 24.570 1.00 0.00 O1- ATOM 0 H GLU B 62 18.936 23.810 22.819 1.00 0.00 H new ATOM 0 HA GLU B 62 17.314 22.995 24.979 1.00 0.00 H new ATOM 0 HB2 GLU B 62 18.897 25.554 24.497 1.00 0.00 H new ATOM 0 HB3 GLU B 62 18.216 25.081 26.041 1.00 0.00 H new ATOM 0 HG2 GLU B 62 20.387 24.361 26.314 1.00 0.00 H new ATOM 0 HG3 GLU B 62 19.644 22.892 25.715 1.00 0.00 H new ATOM 2019 N GLU B 63 15.163 24.260 24.836 1.00 0.00 N ATOM 2020 CA GLU B 63 13.843 24.909 24.729 1.00 0.00 C ATOM 2021 C GLU B 63 13.761 26.249 25.491 1.00 0.00 C ATOM 2022 O GLU B 63 12.965 27.126 25.146 1.00 0.00 O ATOM 2023 CB GLU B 63 12.740 23.911 25.145 1.00 0.00 C ATOM 2024 CG GLU B 63 12.638 23.591 26.655 1.00 0.00 C ATOM 2025 CD GLU B 63 11.574 24.389 27.450 1.00 0.00 C ATOM 2026 OE1 GLU B 63 11.647 24.377 28.703 1.00 0.00 O ATOM 2027 OE2 GLU B 63 10.650 24.996 26.860 1.00 0.00 O1- ATOM 0 H GLU B 63 15.153 23.421 25.416 1.00 0.00 H new ATOM 0 HA GLU B 63 13.683 25.181 23.686 1.00 0.00 H new ATOM 0 HB2 GLU B 63 11.779 24.305 24.813 1.00 0.00 H new ATOM 0 HB3 GLU B 63 12.904 22.977 24.608 1.00 0.00 H new ATOM 0 HG2 GLU B 63 12.424 22.528 26.767 1.00 0.00 H new ATOM 0 HG3 GLU B 63 13.612 23.770 27.110 1.00 0.00 H new