USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 851 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0351 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) 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 173:sc= 0 (180deg=-0.0541) USER MOD Single : B 5 LYS NZ :NH3+ 168:sc= 1.23 (180deg=1.22) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 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= -0.011 X(o=-0.011,f=-0.011) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N ALA A 4 10.671 11.901 3.808 1.00 0.00 N ATOM 88 CA ALA A 4 9.411 11.882 4.558 1.00 0.00 C ATOM 89 C ALA A 4 8.322 12.755 3.890 1.00 0.00 C ATOM 90 O ALA A 4 8.561 13.422 2.876 1.00 0.00 O ATOM 91 CB ALA A 4 9.709 12.340 5.997 1.00 0.00 C ATOM 0 HA ALA A 4 9.007 10.870 4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.787 12.335 6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.429 11.661 6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.122 13.349 5.980 1.00 0.00 H new ATOM 97 N LYS A 5 7.136 12.780 4.505 1.00 0.00 N ATOM 98 CA LYS A 5 6.038 13.731 4.238 1.00 0.00 C ATOM 99 C LYS A 5 5.627 14.482 5.513 1.00 0.00 C ATOM 100 O LYS A 5 5.660 13.903 6.599 1.00 0.00 O ATOM 101 CB LYS A 5 4.861 12.989 3.580 1.00 0.00 C ATOM 102 CG LYS A 5 4.101 12.063 4.555 1.00 0.00 C ATOM 103 CD LYS A 5 3.220 11.027 3.849 1.00 0.00 C ATOM 104 CE LYS A 5 4.075 9.874 3.305 1.00 0.00 C ATOM 105 NZ LYS A 5 3.240 8.844 2.635 1.00 0.00 N1+ ATOM 0 H LYS A 5 6.898 12.110 5.237 1.00 0.00 H new ATOM 0 HA LYS A 5 6.384 14.493 3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.165 13.719 3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.235 12.397 2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.821 11.545 5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.479 12.671 5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.476 10.639 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.676 11.500 3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.808 10.265 2.599 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.632 9.416 4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.850 8.080 2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.557 8.454 3.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.727 9.276 1.840 1.00 0.00 H new ATOM 119 N VAL A 6 5.250 15.750 5.394 1.00 0.00 N ATOM 120 CA VAL A 6 4.797 16.619 6.502 1.00 0.00 C ATOM 121 C VAL A 6 3.271 16.720 6.518 1.00 0.00 C ATOM 122 O VAL A 6 2.658 16.812 5.454 1.00 0.00 O ATOM 123 CB VAL A 6 5.423 18.026 6.403 1.00 0.00 C ATOM 124 CG1 VAL A 6 4.984 18.972 7.521 1.00 0.00 C ATOM 125 CG2 VAL A 6 6.949 17.960 6.449 1.00 0.00 C ATOM 0 H VAL A 6 5.247 16.230 4.494 1.00 0.00 H new ATOM 0 HA VAL A 6 5.129 16.165 7.436 1.00 0.00 H new ATOM 0 HB VAL A 6 5.069 18.415 5.448 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.464 19.942 7.386 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.901 19.095 7.489 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.274 18.555 8.485 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.359 18.967 6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.265 17.506 7.388 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.313 17.360 5.615 1.00 0.00 H new ATOM 135 N VAL A 7 2.672 16.775 7.713 1.00 0.00 N ATOM 136 CA VAL A 7 1.273 17.176 7.953 1.00 0.00 C ATOM 137 C VAL A 7 1.183 18.263 9.034 1.00 0.00 C ATOM 138 O VAL A 7 1.945 18.255 10.005 1.00 0.00 O ATOM 139 CB VAL A 7 0.372 15.955 8.245 1.00 0.00 C ATOM 140 CG1 VAL A 7 0.759 15.201 9.525 1.00 0.00 C ATOM 141 CG2 VAL A 7 -1.109 16.337 8.333 1.00 0.00 C ATOM 0 H VAL A 7 3.163 16.533 8.574 1.00 0.00 H new ATOM 0 HA VAL A 7 0.888 17.621 7.036 1.00 0.00 H new ATOM 0 HB VAL A 7 0.531 15.291 7.395 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.085 14.356 9.668 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.783 14.837 9.438 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.684 15.873 10.380 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.703 15.447 8.539 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.251 17.062 9.135 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.429 16.775 7.387 1.00 0.00 H new ATOM 151 N LEU A 8 0.254 19.208 8.864 1.00 0.00 N ATOM 152 CA LEU A 8 -0.041 20.299 9.804 1.00 0.00 C ATOM 153 C LEU A 8 -1.533 20.656 9.809 1.00 0.00 C ATOM 154 O LEU A 8 -2.247 20.363 8.848 1.00 0.00 O ATOM 155 CB LEU A 8 0.859 21.517 9.481 1.00 0.00 C ATOM 156 CG LEU A 8 0.579 22.239 8.143 1.00 0.00 C ATOM 157 CD1 LEU A 8 -0.406 23.403 8.309 1.00 0.00 C ATOM 158 CD2 LEU A 8 1.869 22.804 7.563 1.00 0.00 C ATOM 0 H LEU A 8 -0.339 19.237 8.034 1.00 0.00 H new ATOM 0 HA LEU A 8 0.188 19.967 10.817 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.757 22.242 10.289 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.897 21.185 9.480 1.00 0.00 H new ATOM 0 HG LEU A 8 0.145 21.494 7.476 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.572 23.880 7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.353 23.026 8.695 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.006 24.132 9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.654 23.309 6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.303 23.516 8.266 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.575 21.992 7.387 1.00 0.00 H new ATOM 266 N VAL A 16 -3.217 20.430 6.073 1.00 0.00 N ATOM 267 CA VAL A 16 -2.342 20.651 4.905 1.00 0.00 C ATOM 268 C VAL A 16 -1.170 19.672 4.956 1.00 0.00 C ATOM 269 O VAL A 16 -0.701 19.321 6.038 1.00 0.00 O ATOM 270 CB VAL A 16 -1.854 22.117 4.863 1.00 0.00 C ATOM 271 CG1 VAL A 16 -0.885 22.414 3.714 1.00 0.00 C ATOM 272 CG2 VAL A 16 -3.026 23.102 4.750 1.00 0.00 C ATOM 0 HA VAL A 16 -2.905 20.470 3.989 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.325 22.251 5.806 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.587 23.462 3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.002 21.782 3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.375 22.209 2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.643 24.122 4.723 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.584 22.900 3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.684 22.984 5.611 1.00 0.00 H new ATOM 282 N GLU A 17 -0.688 19.225 3.794 1.00 0.00 N ATOM 283 CA GLU A 17 0.417 18.260 3.663 1.00 0.00 C ATOM 284 C GLU A 17 1.473 18.695 2.630 1.00 0.00 C ATOM 285 O GLU A 17 1.159 19.370 1.647 1.00 0.00 O ATOM 286 CB GLU A 17 -0.128 16.868 3.297 1.00 0.00 C ATOM 287 CG GLU A 17 -1.000 16.242 4.391 1.00 0.00 C ATOM 288 CD GLU A 17 -1.585 14.875 3.975 1.00 0.00 C ATOM 289 OE1 GLU A 17 -2.716 14.547 4.407 1.00 0.00 O ATOM 290 OE2 GLU A 17 -0.933 14.105 3.230 1.00 0.00 O1- ATOM 0 H GLU A 17 -1.061 19.528 2.894 1.00 0.00 H new ATOM 0 HA GLU A 17 0.912 18.221 4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.711 16.945 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.710 16.203 3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.407 16.118 5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.815 16.923 4.634 1.00 0.00 H new ATOM 297 N ILE A 18 2.726 18.266 2.836 1.00 0.00 N ATOM 298 CA ILE A 18 3.870 18.494 1.934 1.00 0.00 C ATOM 299 C ILE A 18 4.614 17.168 1.722 1.00 0.00 C ATOM 300 O ILE A 18 5.168 16.603 2.666 1.00 0.00 O ATOM 301 CB ILE A 18 4.832 19.598 2.463 1.00 0.00 C ATOM 302 CG1 ILE A 18 4.132 20.923 2.836 1.00 0.00 C ATOM 303 CG2 ILE A 18 5.921 19.884 1.410 1.00 0.00 C ATOM 304 CD1 ILE A 18 3.778 21.007 4.324 1.00 0.00 C ATOM 0 H ILE A 18 2.983 17.731 3.665 1.00 0.00 H new ATOM 0 HA ILE A 18 3.487 18.857 0.980 1.00 0.00 H new ATOM 0 HB ILE A 18 5.262 19.204 3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.781 21.758 2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.223 21.028 2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.593 20.657 1.782 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.488 18.973 1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.453 20.224 0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.288 21.959 4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.105 20.190 4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.688 20.932 4.919 1.00 0.00 H new ATOM 316 N GLY A 19 4.628 16.664 0.485 1.00 0.00 N ATOM 317 CA GLY A 19 5.309 15.420 0.110 1.00 0.00 C ATOM 318 C GLY A 19 6.799 15.594 -0.220 1.00 0.00 C ATOM 319 O GLY A 19 7.238 16.674 -0.622 1.00 0.00 O ATOM 0 H GLY A 19 4.158 17.117 -0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.210 14.704 0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.805 14.989 -0.755 1.00 0.00 H new ATOM 323 N ASP A 20 7.568 14.506 -0.081 1.00 0.00 N ATOM 324 CA ASP A 20 8.977 14.393 -0.498 1.00 0.00 C ATOM 325 C ASP A 20 9.892 15.494 0.076 1.00 0.00 C ATOM 326 O ASP A 20 10.653 16.134 -0.655 1.00 0.00 O ATOM 327 CB ASP A 20 9.099 14.215 -2.027 1.00 0.00 C ATOM 328 CG ASP A 20 8.212 13.098 -2.612 1.00 0.00 C ATOM 329 OD1 ASP A 20 7.823 13.200 -3.799 1.00 0.00 O ATOM 330 OD2 ASP A 20 7.922 12.099 -1.906 1.00 0.00 O1- ATOM 0 H ASP A 20 7.215 13.647 0.340 1.00 0.00 H new ATOM 0 HA ASP A 20 9.361 13.479 -0.045 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.842 15.157 -2.512 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.139 14.003 -2.274 1.00 0.00 H new ATOM 335 N VAL A 21 9.819 15.751 1.386 1.00 0.00 N ATOM 336 CA VAL A 21 10.676 16.752 2.042 1.00 0.00 C ATOM 337 C VAL A 21 12.105 16.235 2.253 1.00 0.00 C ATOM 338 O VAL A 21 12.315 15.159 2.815 1.00 0.00 O ATOM 339 CB VAL A 21 10.058 17.295 3.343 1.00 0.00 C ATOM 340 CG1 VAL A 21 8.763 18.056 3.043 1.00 0.00 C ATOM 341 CG2 VAL A 21 9.760 16.249 4.424 1.00 0.00 C ATOM 0 H VAL A 21 9.173 15.279 2.018 1.00 0.00 H new ATOM 0 HA VAL A 21 10.743 17.598 1.358 1.00 0.00 H new ATOM 0 HB VAL A 21 10.831 17.947 3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.339 18.433 3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.978 18.892 2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.049 17.385 2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.328 16.740 5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.055 15.514 4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.685 15.749 4.711 1.00 0.00 H new ATOM 351 N LEU A 22 13.092 17.015 1.817 1.00 0.00 N ATOM 352 CA LEU A 22 14.513 16.767 2.087 1.00 0.00 C ATOM 353 C LEU A 22 14.890 17.196 3.514 1.00 0.00 C ATOM 354 O LEU A 22 15.769 16.596 4.128 1.00 0.00 O ATOM 355 CB LEU A 22 15.375 17.563 1.081 1.00 0.00 C ATOM 356 CG LEU A 22 15.231 17.148 -0.394 1.00 0.00 C ATOM 357 CD1 LEU A 22 15.979 18.146 -1.277 1.00 0.00 C ATOM 358 CD2 LEU A 22 15.818 15.764 -0.665 1.00 0.00 C ATOM 0 H LEU A 22 12.928 17.851 1.257 1.00 0.00 H new ATOM 0 HA LEU A 22 14.697 15.698 1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.121 18.619 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 22 16.422 17.462 1.368 1.00 0.00 H new ATOM 0 HG LEU A 22 14.164 17.130 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 22 15.878 17.854 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.559 19.142 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.034 18.155 -1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.693 15.516 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.879 15.764 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 22 15.302 15.024 -0.054 1.00 0.00 H new ATOM 370 N GLU A 23 14.223 18.229 4.041 1.00 0.00 N ATOM 371 CA GLU A 23 14.523 18.843 5.340 1.00 0.00 C ATOM 372 C GLU A 23 13.315 19.597 5.924 1.00 0.00 C ATOM 373 O GLU A 23 12.542 20.217 5.191 1.00 0.00 O ATOM 374 CB GLU A 23 15.734 19.784 5.168 1.00 0.00 C ATOM 375 CG GLU A 23 16.124 20.538 6.450 1.00 0.00 C ATOM 376 CD GLU A 23 17.496 21.225 6.348 1.00 0.00 C ATOM 377 OE1 GLU A 23 18.380 20.747 5.597 1.00 0.00 O ATOM 378 OE2 GLU A 23 17.744 22.198 7.097 1.00 0.00 O1- ATOM 0 H GLU A 23 13.439 18.673 3.563 1.00 0.00 H new ATOM 0 HA GLU A 23 14.760 18.054 6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.589 19.201 4.827 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.510 20.509 4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.364 21.288 6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.135 19.840 7.287 1.00 0.00 H new ATOM 385 N VAL A 24 13.191 19.598 7.257 1.00 0.00 N ATOM 386 CA VAL A 24 12.214 20.390 8.031 1.00 0.00 C ATOM 387 C VAL A 24 12.891 20.925 9.296 1.00 0.00 C ATOM 388 O VAL A 24 13.599 20.167 9.965 1.00 0.00 O ATOM 389 CB VAL A 24 10.971 19.558 8.412 1.00 0.00 C ATOM 390 CG1 VAL A 24 9.835 20.450 8.923 1.00 0.00 C ATOM 391 CG2 VAL A 24 10.431 18.672 7.283 1.00 0.00 C ATOM 0 H VAL A 24 13.789 19.027 7.853 1.00 0.00 H new ATOM 0 HA VAL A 24 11.874 21.216 7.406 1.00 0.00 H new ATOM 0 HB VAL A 24 11.322 18.896 9.203 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.975 19.832 9.182 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.169 20.995 9.806 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.551 21.159 8.145 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.558 18.123 7.637 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.148 19.295 6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.202 17.967 6.973 1.00 0.00 H new ATOM 401 N ARG A 25 12.714 22.206 9.641 1.00 0.00 N ATOM 402 CA ARG A 25 13.302 22.835 10.846 1.00 0.00 C ATOM 403 C ARG A 25 12.325 23.779 11.552 1.00 0.00 C ATOM 404 O ARG A 25 11.617 24.544 10.902 1.00 0.00 O ATOM 405 CB ARG A 25 14.636 23.581 10.573 1.00 0.00 C ATOM 406 CG ARG A 25 15.463 23.160 9.341 1.00 0.00 C ATOM 407 CD ARG A 25 15.073 23.942 8.081 1.00 0.00 C ATOM 408 NE ARG A 25 15.575 25.324 8.128 1.00 0.00 N ATOM 409 CZ ARG A 25 16.755 25.765 7.735 1.00 0.00 C ATOM 410 NH1 ARG A 25 17.681 24.994 7.233 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 17.014 27.028 7.881 1.00 0.00 N ATOM 0 H ARG A 25 12.151 22.851 9.087 1.00 0.00 H new ATOM 0 HA ARG A 25 13.522 21.996 11.506 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.411 24.643 10.477 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.268 23.468 11.454 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.522 23.314 9.548 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.325 22.094 9.161 1.00 0.00 H new ATOM 0 HD2 ARG A 25 15.472 23.438 7.201 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.988 23.951 7.978 1.00 0.00 H new ATOM 0 HE ARG A 25 14.937 26.023 8.509 1.00 0.00 H new ATOM 0 HH11 ARG A 25 17.510 23.994 7.128 1.00 0.00 H new ATOM 0 HH12 ARG A 25 18.575 25.392 6.946 1.00 0.00 H new ATOM 0 HH21 ARG A 25 16.315 27.648 8.289 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.917 27.401 7.587 1.00 0.00 H new ATOM 425 N ALA A 26 12.339 23.763 12.885 1.00 0.00 N ATOM 426 CA ALA A 26 11.757 24.798 13.727 1.00 0.00 C ATOM 427 C ALA A 26 12.717 26.000 13.835 1.00 0.00 C ATOM 428 O ALA A 26 13.924 25.852 14.056 1.00 0.00 O ATOM 429 CB ALA A 26 11.420 24.203 15.100 1.00 0.00 C ATOM 0 H ALA A 26 12.768 23.008 13.419 1.00 0.00 H new ATOM 0 HA ALA A 26 10.833 25.166 13.282 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.984 24.975 15.734 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.707 23.388 14.978 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.330 23.823 15.565 1.00 0.00 H new ATOM 464 N ALA A 30 8.253 30.094 13.801 1.00 0.00 N ATOM 465 CA ALA A 30 7.763 29.399 12.602 1.00 0.00 C ATOM 466 C ALA A 30 8.459 28.045 12.351 1.00 0.00 C ATOM 467 O ALA A 30 9.576 27.812 12.812 1.00 0.00 O ATOM 468 CB ALA A 30 7.973 30.317 11.390 1.00 0.00 C ATOM 0 HA ALA A 30 6.707 29.177 12.759 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.615 29.818 10.489 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.419 31.244 11.536 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.034 30.541 11.283 1.00 0.00 H new ATOM 474 N VAL A 31 7.836 27.181 11.545 1.00 0.00 N ATOM 475 CA VAL A 31 8.512 26.049 10.876 1.00 0.00 C ATOM 476 C VAL A 31 8.857 26.406 9.425 1.00 0.00 C ATOM 477 O VAL A 31 8.089 27.094 8.752 1.00 0.00 O ATOM 478 CB VAL A 31 7.679 24.750 10.968 1.00 0.00 C ATOM 479 CG1 VAL A 31 8.200 23.610 10.084 1.00 0.00 C ATOM 480 CG2 VAL A 31 7.684 24.230 12.406 1.00 0.00 C ATOM 0 H VAL A 31 6.840 27.242 11.332 1.00 0.00 H new ATOM 0 HA VAL A 31 9.447 25.857 11.402 1.00 0.00 H new ATOM 0 HB VAL A 31 6.682 25.025 10.624 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.562 22.735 10.205 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.190 23.925 9.041 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.219 23.359 10.377 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.095 23.315 12.464 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.709 24.023 12.714 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.252 24.982 13.066 1.00 0.00 H new ATOM 490 N ARG A 32 9.996 25.906 8.924 1.00 0.00 N ATOM 491 CA ARG A 32 10.423 25.962 7.516 1.00 0.00 C ATOM 492 C ARG A 32 10.800 24.577 6.993 1.00 0.00 C ATOM 493 O ARG A 32 11.280 23.732 7.749 1.00 0.00 O ATOM 494 CB ARG A 32 11.585 26.951 7.341 1.00 0.00 C ATOM 495 CG ARG A 32 11.096 28.407 7.324 1.00 0.00 C ATOM 496 CD ARG A 32 12.253 29.413 7.298 1.00 0.00 C ATOM 497 NE ARG A 32 13.111 29.274 6.103 1.00 0.00 N ATOM 498 CZ ARG A 32 14.395 29.581 6.018 1.00 0.00 C ATOM 499 NH1 ARG A 32 15.108 29.987 7.032 1.00 0.00 N1+ ATOM 500 NH2 ARG A 32 15.009 29.485 4.878 1.00 0.00 N ATOM 0 H ARG A 32 10.677 25.429 9.516 1.00 0.00 H new ATOM 0 HA ARG A 32 9.579 26.318 6.925 1.00 0.00 H new ATOM 0 HB2 ARG A 32 12.301 26.817 8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.111 26.733 6.412 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.462 28.564 6.451 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.479 28.590 8.204 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.849 30.425 7.333 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.861 29.282 8.193 1.00 0.00 H new ATOM 0 HE ARG A 32 12.670 28.905 5.261 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.678 30.082 7.952 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.095 30.209 6.905 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.501 29.173 4.050 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.999 29.721 4.810 1.00 0.00 H new ATOM 514 N VAL A 33 10.566 24.338 5.705 1.00 0.00 N ATOM 515 CA VAL A 33 10.719 23.025 5.053 1.00 0.00 C ATOM 516 C VAL A 33 11.182 23.165 3.600 1.00 0.00 C ATOM 517 O VAL A 33 10.805 24.120 2.920 1.00 0.00 O ATOM 518 CB VAL A 33 9.456 22.126 5.230 1.00 0.00 C ATOM 519 CG1 VAL A 33 8.250 22.787 5.908 1.00 0.00 C ATOM 520 CG2 VAL A 33 8.939 21.453 3.956 1.00 0.00 C ATOM 0 H VAL A 33 10.256 25.067 5.062 1.00 0.00 H new ATOM 0 HA VAL A 33 11.519 22.493 5.568 1.00 0.00 H new ATOM 0 HB VAL A 33 9.874 21.373 5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.433 22.069 5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.530 23.115 6.909 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.929 23.647 5.321 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.060 20.853 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.672 22.216 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.716 20.810 3.543 1.00 0.00 H new ATOM 530 N THR A 34 11.992 22.209 3.125 1.00 0.00 N ATOM 531 CA THR A 34 12.522 22.154 1.751 1.00 0.00 C ATOM 532 C THR A 34 12.160 20.827 1.071 1.00 0.00 C ATOM 533 O THR A 34 12.367 19.755 1.647 1.00 0.00 O ATOM 534 CB THR A 34 14.047 22.359 1.735 1.00 0.00 C ATOM 535 OG1 THR A 34 14.380 23.595 2.323 1.00 0.00 O ATOM 536 CG2 THR A 34 14.633 22.375 0.320 1.00 0.00 C ATOM 0 H THR A 34 12.307 21.429 3.701 1.00 0.00 H new ATOM 0 HA THR A 34 12.059 22.966 1.191 1.00 0.00 H new ATOM 0 HB THR A 34 14.462 21.517 2.289 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.353 23.713 2.308 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.712 22.523 0.375 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.421 21.426 -0.172 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.184 23.188 -0.251 1.00 0.00 H new ATOM 544 N THR A 35 11.628 20.882 -0.151 1.00 0.00 N ATOM 545 CA THR A 35 11.189 19.703 -0.931 1.00 0.00 C ATOM 546 C THR A 35 12.243 19.171 -1.910 1.00 0.00 C ATOM 547 O THR A 35 13.194 19.858 -2.286 1.00 0.00 O ATOM 548 CB THR A 35 9.895 19.998 -1.708 1.00 0.00 C ATOM 549 OG1 THR A 35 10.137 20.943 -2.727 1.00 0.00 O ATOM 550 CG2 THR A 35 8.778 20.511 -0.802 1.00 0.00 C ATOM 0 H THR A 35 11.483 21.763 -0.645 1.00 0.00 H new ATOM 0 HA THR A 35 11.017 18.927 -0.185 1.00 0.00 H new ATOM 0 HB THR A 35 9.569 19.054 -2.144 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.305 21.120 -3.214 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.886 20.704 -1.398 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.552 19.762 -0.043 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.098 21.433 -0.317 1.00 0.00 H new ATOM 558 N LEU A 36 12.021 17.937 -2.382 1.00 0.00 N ATOM 559 CA LEU A 36 12.719 17.287 -3.498 1.00 0.00 C ATOM 560 C LEU A 36 12.784 18.164 -4.763 1.00 0.00 C ATOM 561 O LEU A 36 13.759 18.119 -5.515 1.00 0.00 O ATOM 562 CB LEU A 36 11.950 15.976 -3.785 1.00 0.00 C ATOM 563 CG LEU A 36 12.492 15.113 -4.936 1.00 0.00 C ATOM 564 CD1 LEU A 36 13.847 14.516 -4.551 1.00 0.00 C ATOM 565 CD2 LEU A 36 11.517 13.978 -5.245 1.00 0.00 C ATOM 0 H LEU A 36 11.309 17.332 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 36 13.758 17.103 -3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.947 15.374 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.912 16.228 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 36 12.608 15.744 -5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 36 14.223 13.906 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.553 15.320 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.732 13.896 -3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.910 13.373 -6.062 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.391 13.355 -4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.553 14.395 -5.535 1.00 0.00 H new ATOM 577 N PHE A 37 11.747 18.973 -4.975 1.00 0.00 N ATOM 578 CA PHE A 37 11.572 19.884 -6.114 1.00 0.00 C ATOM 579 C PHE A 37 12.315 21.229 -5.942 1.00 0.00 C ATOM 580 O PHE A 37 12.128 22.147 -6.745 1.00 0.00 O ATOM 581 CB PHE A 37 10.064 20.067 -6.352 1.00 0.00 C ATOM 582 CG PHE A 37 9.276 18.764 -6.266 1.00 0.00 C ATOM 583 CD1 PHE A 37 9.472 17.752 -7.224 1.00 0.00 C ATOM 584 CD2 PHE A 37 8.412 18.533 -5.174 1.00 0.00 C ATOM 585 CE1 PHE A 37 8.828 16.508 -7.084 1.00 0.00 C ATOM 586 CE2 PHE A 37 7.771 17.286 -5.035 1.00 0.00 C ATOM 587 CZ PHE A 37 7.979 16.273 -5.987 1.00 0.00 C ATOM 0 H PHE A 37 10.963 19.016 -4.324 1.00 0.00 H new ATOM 0 HA PHE A 37 12.032 19.439 -6.997 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.670 20.770 -5.618 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.910 20.512 -7.335 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.119 17.930 -8.070 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.242 19.312 -4.445 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.986 15.733 -7.820 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.117 17.108 -4.194 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.489 15.317 -5.877 1.00 0.00 H new ATOM 597 N ASP A 38 13.143 21.349 -4.897 1.00 0.00 N ATOM 598 CA ASP A 38 13.916 22.537 -4.504 1.00 0.00 C ATOM 599 C ASP A 38 13.049 23.781 -4.190 1.00 0.00 C ATOM 600 O ASP A 38 13.462 24.923 -4.399 1.00 0.00 O ATOM 601 CB ASP A 38 15.061 22.784 -5.508 1.00 0.00 C ATOM 602 CG ASP A 38 16.159 23.741 -4.991 1.00 0.00 C ATOM 603 OD1 ASP A 38 16.842 24.372 -5.836 1.00 0.00 O ATOM 604 OD2 ASP A 38 16.393 23.823 -3.760 1.00 0.00 O1- ATOM 0 H ASP A 38 13.302 20.568 -4.261 1.00 0.00 H new ATOM 0 HA ASP A 38 14.379 22.327 -3.540 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.518 21.828 -5.763 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.642 23.193 -6.427 1.00 0.00 H new ATOM 609 N GLU A 39 11.826 23.562 -3.691 1.00 0.00 N ATOM 610 CA GLU A 39 10.917 24.611 -3.208 1.00 0.00 C ATOM 611 C GLU A 39 10.962 24.724 -1.677 1.00 0.00 C ATOM 612 O GLU A 39 11.013 23.714 -0.966 1.00 0.00 O ATOM 613 CB GLU A 39 9.492 24.342 -3.734 1.00 0.00 C ATOM 614 CG GLU A 39 8.398 25.329 -3.300 1.00 0.00 C ATOM 615 CD GLU A 39 8.593 26.746 -3.880 1.00 0.00 C ATOM 616 OE1 GLU A 39 9.598 27.421 -3.557 1.00 0.00 O ATOM 617 OE2 GLU A 39 7.724 27.195 -4.670 1.00 0.00 O1- ATOM 0 H GLU A 39 11.430 22.625 -3.610 1.00 0.00 H new ATOM 0 HA GLU A 39 11.244 25.576 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.528 24.331 -4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.195 23.343 -3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.427 24.946 -3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.382 25.388 -2.212 1.00 0.00 H new ATOM 624 N GLU A 40 10.925 25.951 -1.153 1.00 0.00 N ATOM 625 CA GLU A 40 10.768 26.216 0.285 1.00 0.00 C ATOM 626 C GLU A 40 9.314 26.521 0.665 1.00 0.00 C ATOM 627 O GLU A 40 8.589 27.218 -0.052 1.00 0.00 O ATOM 628 CB GLU A 40 11.669 27.365 0.758 1.00 0.00 C ATOM 629 CG GLU A 40 13.146 26.959 0.826 1.00 0.00 C ATOM 630 CD GLU A 40 14.008 28.056 1.490 1.00 0.00 C ATOM 631 OE1 GLU A 40 13.693 28.482 2.632 1.00 0.00 O ATOM 632 OE2 GLU A 40 15.023 28.490 0.891 1.00 0.00 O1- ATOM 0 H GLU A 40 11.004 26.798 -1.716 1.00 0.00 H new ATOM 0 HA GLU A 40 11.072 25.299 0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.559 28.212 0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.341 27.699 1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 40 13.243 26.030 1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.517 26.764 -0.180 1.00 0.00 H new ATOM 639 N HIS A 41 8.918 26.045 1.847 1.00 0.00 N ATOM 640 CA HIS A 41 7.657 26.365 2.530 1.00 0.00 C ATOM 641 C HIS A 41 7.929 26.918 3.931 1.00 0.00 C ATOM 642 O HIS A 41 8.927 26.539 4.560 1.00 0.00 O ATOM 643 CB HIS A 41 6.742 25.132 2.580 1.00 0.00 C ATOM 644 CG HIS A 41 6.382 24.586 1.220 1.00 0.00 C ATOM 645 ND1 HIS A 41 5.482 25.169 0.325 1.00 0.00 N ATOM 646 CD2 HIS A 41 6.880 23.443 0.668 1.00 0.00 C ATOM 647 CE1 HIS A 41 5.467 24.362 -0.750 1.00 0.00 C ATOM 648 NE2 HIS A 41 6.299 23.320 -0.573 1.00 0.00 N ATOM 0 H HIS A 41 9.493 25.395 2.382 1.00 0.00 H new ATOM 0 HA HIS A 41 7.140 27.139 1.963 1.00 0.00 H new ATOM 0 HB2 HIS A 41 7.234 24.349 3.157 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.826 25.392 3.111 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.592 22.766 1.117 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.869 24.528 -1.634 1.00 0.00 H new ATOM 0 HE2 HIS A 41 6.469 22.569 -1.242 1.00 0.00 H new ATOM 656 N ALA A 42 7.047 27.784 4.423 1.00 0.00 N ATOM 657 CA ALA A 42 7.158 28.435 5.733 1.00 0.00 C ATOM 658 C ALA A 42 5.783 28.565 6.408 1.00 0.00 C ATOM 659 O ALA A 42 4.789 28.915 5.756 1.00 0.00 O ATOM 660 CB ALA A 42 7.837 29.798 5.551 1.00 0.00 C ATOM 0 H ALA A 42 6.211 28.063 3.910 1.00 0.00 H new ATOM 0 HA ALA A 42 7.769 27.822 6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.926 30.292 6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.830 29.656 5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.239 30.416 4.881 1.00 0.00 H new ATOM 666 N PHE A 43 5.730 28.298 7.713 1.00 0.00 N ATOM 667 CA PHE A 43 4.498 28.174 8.497 1.00 0.00 C ATOM 668 C PHE A 43 4.648 28.829 9.888 1.00 0.00 C ATOM 669 O PHE A 43 5.097 28.172 10.836 1.00 0.00 O ATOM 670 CB PHE A 43 4.109 26.688 8.595 1.00 0.00 C ATOM 671 CG PHE A 43 3.934 25.987 7.261 1.00 0.00 C ATOM 672 CD1 PHE A 43 2.821 26.289 6.451 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.888 25.050 6.816 1.00 0.00 C ATOM 674 CE1 PHE A 43 2.663 25.659 5.205 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.729 24.417 5.570 1.00 0.00 C ATOM 676 CZ PHE A 43 3.620 24.728 4.765 1.00 0.00 C ATOM 0 H PHE A 43 6.571 28.157 8.273 1.00 0.00 H new ATOM 0 HA PHE A 43 3.694 28.710 7.993 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.874 26.164 9.167 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.179 26.607 9.157 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.088 27.006 6.789 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.743 24.817 7.433 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.808 25.890 4.587 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.457 23.694 5.233 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.502 24.250 3.804 1.00 0.00 H new ATOM 686 N PRO A 44 4.301 30.124 10.028 1.00 0.00 N ATOM 687 CA PRO A 44 4.321 30.828 11.307 1.00 0.00 C ATOM 688 C PRO A 44 3.377 30.218 12.354 1.00 0.00 C ATOM 689 O PRO A 44 2.299 29.709 12.036 1.00 0.00 O ATOM 690 CB PRO A 44 3.956 32.282 10.990 1.00 0.00 C ATOM 691 CG PRO A 44 4.350 32.435 9.524 1.00 0.00 C ATOM 692 CD PRO A 44 4.021 31.062 8.947 1.00 0.00 C ATOM 0 HA PRO A 44 5.307 30.749 11.764 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.893 32.472 11.142 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.499 32.980 11.627 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.785 33.227 9.033 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.406 32.680 9.411 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.978 31.004 8.634 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.630 30.846 8.069 1.00 0.00 H new ATOM 700 N GLY A 45 3.786 30.283 13.623 1.00 0.00 N ATOM 701 CA GLY A 45 3.035 29.776 14.777 1.00 0.00 C ATOM 702 C GLY A 45 3.133 28.260 15.009 1.00 0.00 C ATOM 703 O GLY A 45 2.486 27.752 15.926 1.00 0.00 O ATOM 0 H GLY A 45 4.678 30.703 13.886 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.388 30.288 15.673 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.985 30.041 14.651 1.00 0.00 H new ATOM 707 N LEU A 46 3.935 27.533 14.224 1.00 0.00 N ATOM 708 CA LEU A 46 4.177 26.093 14.382 1.00 0.00 C ATOM 709 C LEU A 46 5.551 25.764 14.993 1.00 0.00 C ATOM 710 O LEU A 46 6.480 26.575 14.968 1.00 0.00 O ATOM 711 CB LEU A 46 3.997 25.359 13.037 1.00 0.00 C ATOM 712 CG LEU A 46 2.622 25.517 12.351 1.00 0.00 C ATOM 713 CD1 LEU A 46 2.560 24.588 11.142 1.00 0.00 C ATOM 714 CD2 LEU A 46 1.446 25.139 13.251 1.00 0.00 C ATOM 0 H LEU A 46 4.447 27.939 13.441 1.00 0.00 H new ATOM 0 HA LEU A 46 3.431 25.738 15.093 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.765 25.712 12.349 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.178 24.297 13.200 1.00 0.00 H new ATOM 0 HG LEU A 46 2.534 26.571 12.086 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.592 24.693 10.652 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.352 24.850 10.441 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.691 23.556 11.469 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.512 25.274 12.705 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.541 24.097 13.555 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.445 25.776 14.135 1.00 0.00 H new ATOM 726 N ALA A 47 5.667 24.528 15.475 1.00 0.00 N ATOM 727 CA ALA A 47 6.897 23.819 15.826 1.00 0.00 C ATOM 728 C ALA A 47 6.772 22.332 15.410 1.00 0.00 C ATOM 729 O ALA A 47 5.666 21.827 15.198 1.00 0.00 O ATOM 730 CB ALA A 47 7.155 23.992 17.327 1.00 0.00 C ATOM 0 H ALA A 47 4.842 23.953 15.643 1.00 0.00 H new ATOM 0 HA ALA A 47 7.753 24.231 15.291 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.070 23.467 17.602 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.261 25.052 17.558 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.318 23.580 17.890 1.00 0.00 H new ATOM 736 N ILE A 48 7.891 21.611 15.280 1.00 0.00 N ATOM 737 CA ILE A 48 7.882 20.175 14.946 1.00 0.00 C ATOM 738 C ILE A 48 7.411 19.367 16.164 1.00 0.00 C ATOM 739 O ILE A 48 7.999 19.465 17.242 1.00 0.00 O ATOM 740 CB ILE A 48 9.251 19.691 14.409 1.00 0.00 C ATOM 741 CG1 ILE A 48 9.677 20.493 13.153 1.00 0.00 C ATOM 742 CG2 ILE A 48 9.181 18.185 14.075 1.00 0.00 C ATOM 743 CD1 ILE A 48 11.137 20.276 12.751 1.00 0.00 C ATOM 0 H ILE A 48 8.826 22.000 15.402 1.00 0.00 H new ATOM 0 HA ILE A 48 7.176 20.011 14.132 1.00 0.00 H new ATOM 0 HB ILE A 48 9.998 19.857 15.185 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.034 20.213 12.319 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.514 21.555 13.338 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.147 17.851 13.698 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.929 17.624 14.975 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.417 18.016 13.316 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.362 20.869 11.865 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.789 20.583 13.569 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.301 19.221 12.533 1.00 0.00 H new ATOM 755 N GLY A 49 6.339 18.582 15.999 1.00 0.00 N ATOM 756 CA GLY A 49 5.694 17.815 17.068 1.00 0.00 C ATOM 757 C GLY A 49 6.134 16.354 17.139 1.00 0.00 C ATOM 758 O GLY A 49 6.468 15.873 18.220 1.00 0.00 O ATOM 0 H GLY A 49 5.885 18.461 15.093 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.906 18.294 18.024 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.614 17.852 16.926 1.00 0.00 H new ATOM 762 N ARG A 50 6.170 15.640 16.005 1.00 0.00 N ATOM 763 CA ARG A 50 6.547 14.217 15.940 1.00 0.00 C ATOM 764 C ARG A 50 7.270 13.855 14.637 1.00 0.00 C ATOM 765 O ARG A 50 7.032 14.470 13.598 1.00 0.00 O ATOM 766 CB ARG A 50 5.316 13.299 16.110 1.00 0.00 C ATOM 767 CG ARG A 50 4.597 13.440 17.461 1.00 0.00 C ATOM 768 CD ARG A 50 3.527 12.355 17.629 1.00 0.00 C ATOM 769 NE ARG A 50 2.916 12.378 18.975 1.00 0.00 N ATOM 770 CZ ARG A 50 1.863 11.683 19.367 1.00 0.00 C ATOM 771 NH1 ARG A 50 1.223 10.872 18.576 1.00 0.00 N1+ ATOM 772 NH2 ARG A 50 1.440 11.781 20.593 1.00 0.00 N ATOM 0 H ARG A 50 5.936 16.037 15.095 1.00 0.00 H new ATOM 0 HA ARG A 50 7.238 14.056 16.767 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.606 13.513 15.311 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.632 12.263 15.987 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.322 13.370 18.272 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.135 14.425 17.530 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.750 12.493 16.877 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.973 11.376 17.451 1.00 0.00 H new ATOM 0 HE ARG A 50 3.349 12.989 19.667 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.530 10.753 17.611 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.414 10.355 18.921 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.921 12.394 21.251 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.627 11.245 20.896 1.00 0.00 H new ATOM 786 N VAL A 51 8.087 12.803 14.702 1.00 0.00 N ATOM 787 CA VAL A 51 8.714 12.120 13.561 1.00 0.00 C ATOM 788 C VAL A 51 8.557 10.604 13.727 1.00 0.00 C ATOM 789 O VAL A 51 9.095 10.010 14.668 1.00 0.00 O ATOM 790 CB VAL A 51 10.206 12.488 13.398 1.00 0.00 C ATOM 791 CG1 VAL A 51 10.726 11.978 12.049 1.00 0.00 C ATOM 792 CG2 VAL A 51 10.475 13.993 13.486 1.00 0.00 C ATOM 0 H VAL A 51 8.344 12.380 15.594 1.00 0.00 H new ATOM 0 HA VAL A 51 8.206 12.453 12.656 1.00 0.00 H new ATOM 0 HB VAL A 51 10.728 12.011 14.228 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.778 12.241 11.942 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.617 10.894 12.003 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.153 12.435 11.242 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.542 14.180 13.363 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.924 14.508 12.699 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.151 14.364 14.458 1.00 0.00 H new ATOM 802 N ASP A 52 7.826 9.978 12.805 1.00 0.00 N ATOM 803 CA ASP A 52 7.540 8.542 12.786 1.00 0.00 C ATOM 804 C ASP A 52 8.419 7.849 11.732 1.00 0.00 C ATOM 805 O ASP A 52 8.029 7.728 10.570 1.00 0.00 O ATOM 806 CB ASP A 52 6.039 8.304 12.515 1.00 0.00 C ATOM 807 CG ASP A 52 5.062 8.930 13.532 1.00 0.00 C ATOM 808 OD1 ASP A 52 5.467 9.361 14.640 1.00 0.00 O ATOM 809 OD2 ASP A 52 3.845 8.958 13.221 1.00 0.00 O1- ATOM 0 H ASP A 52 7.401 10.474 12.022 1.00 0.00 H new ATOM 0 HA ASP A 52 7.776 8.111 13.759 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.802 8.695 11.525 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.861 7.229 12.484 1.00 0.00 H new ATOM 814 N LEU A 53 9.615 7.380 12.113 1.00 0.00 N ATOM 815 CA LEU A 53 10.552 6.725 11.185 1.00 0.00 C ATOM 816 C LEU A 53 10.015 5.375 10.668 1.00 0.00 C ATOM 817 O LEU A 53 10.361 4.952 9.562 1.00 0.00 O ATOM 818 CB LEU A 53 11.945 6.551 11.833 1.00 0.00 C ATOM 819 CG LEU A 53 12.731 7.804 12.260 1.00 0.00 C ATOM 820 CD1 LEU A 53 12.821 8.836 11.137 1.00 0.00 C ATOM 821 CD2 LEU A 53 12.215 8.484 13.531 1.00 0.00 C ATOM 0 H LEU A 53 9.961 7.443 13.070 1.00 0.00 H new ATOM 0 HA LEU A 53 10.653 7.382 10.321 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.821 5.923 12.716 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.567 5.995 11.131 1.00 0.00 H new ATOM 0 HG LEU A 53 13.725 7.419 12.490 1.00 0.00 H new ATOM 0 HD11 LEU A 53 13.384 9.703 11.484 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.326 8.395 10.277 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.817 9.147 10.848 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.830 9.356 13.753 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.182 8.798 13.382 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.265 7.783 14.364 1.00 0.00 H new ATOM 833 N ARG A 54 9.107 4.741 11.422 1.00 0.00 N ATOM 834 CA ARG A 54 8.337 3.553 11.005 1.00 0.00 C ATOM 835 C ARG A 54 7.357 3.819 9.846 1.00 0.00 C ATOM 836 O ARG A 54 6.958 2.865 9.178 1.00 0.00 O ATOM 837 CB ARG A 54 7.573 2.989 12.216 1.00 0.00 C ATOM 838 CG ARG A 54 8.514 2.406 13.278 1.00 0.00 C ATOM 839 CD ARG A 54 7.750 1.715 14.414 1.00 0.00 C ATOM 840 NE ARG A 54 6.992 2.657 15.267 1.00 0.00 N ATOM 841 CZ ARG A 54 6.149 2.324 16.229 1.00 0.00 C ATOM 842 NH1 ARG A 54 5.892 1.077 16.522 1.00 0.00 N1+ ATOM 843 NH2 ARG A 54 5.532 3.231 16.924 1.00 0.00 N ATOM 0 H ARG A 54 8.878 5.047 12.368 1.00 0.00 H new ATOM 0 HA ARG A 54 9.060 2.829 10.629 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.970 3.780 12.663 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.884 2.214 11.879 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.189 1.690 12.809 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.132 3.204 13.691 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.061 0.986 13.988 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.456 1.162 15.034 1.00 0.00 H new ATOM 0 HE ARG A 54 7.133 3.653 15.097 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.347 0.327 16.002 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.236 0.854 17.271 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.694 4.219 16.731 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.885 2.955 17.663 1.00 0.00 H new ATOM 857 N SER A 55 6.986 5.078 9.593 1.00 0.00 N ATOM 858 CA SER A 55 5.976 5.479 8.587 1.00 0.00 C ATOM 859 C SER A 55 6.483 6.490 7.546 1.00 0.00 C ATOM 860 O SER A 55 5.858 6.642 6.493 1.00 0.00 O ATOM 861 CB SER A 55 4.740 6.066 9.284 1.00 0.00 C ATOM 862 OG SER A 55 4.157 5.138 10.192 1.00 0.00 O ATOM 0 H SER A 55 7.386 5.873 10.091 1.00 0.00 H new ATOM 0 HA SER A 55 5.730 4.566 8.045 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.021 6.972 9.820 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.003 6.354 8.535 1.00 0.00 H new ATOM 0 HG SER A 55 3.374 5.545 10.619 1.00 0.00 H new ATOM 868 N GLY A 56 7.593 7.189 7.805 1.00 0.00 N ATOM 869 CA GLY A 56 8.074 8.300 6.973 1.00 0.00 C ATOM 870 C GLY A 56 7.219 9.567 7.093 1.00 0.00 C ATOM 871 O GLY A 56 7.030 10.276 6.103 1.00 0.00 O ATOM 0 H GLY A 56 8.191 6.998 8.609 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.101 8.536 7.253 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.093 7.981 5.931 1.00 0.00 H new ATOM 875 N VAL A 57 6.663 9.842 8.280 1.00 0.00 N ATOM 876 CA VAL A 57 5.724 10.956 8.524 1.00 0.00 C ATOM 877 C VAL A 57 6.259 11.919 9.584 1.00 0.00 C ATOM 878 O VAL A 57 6.660 11.505 10.671 1.00 0.00 O ATOM 879 CB VAL A 57 4.317 10.443 8.891 1.00 0.00 C ATOM 880 CG1 VAL A 57 3.327 11.589 9.145 1.00 0.00 C ATOM 881 CG2 VAL A 57 3.718 9.575 7.777 1.00 0.00 C ATOM 0 H VAL A 57 6.854 9.289 9.116 1.00 0.00 H new ATOM 0 HA VAL A 57 5.635 11.512 7.591 1.00 0.00 H new ATOM 0 HB VAL A 57 4.457 9.859 9.800 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.351 11.177 9.400 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.687 12.205 9.969 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.240 12.200 8.247 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.727 9.234 8.075 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.640 10.161 6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.361 8.713 7.602 1.00 0.00 H new ATOM 891 N ILE A 58 6.231 13.213 9.272 1.00 0.00 N ATOM 892 CA ILE A 58 6.489 14.338 10.178 1.00 0.00 C ATOM 893 C ILE A 58 5.155 15.030 10.490 1.00 0.00 C ATOM 894 O ILE A 58 4.358 15.282 9.587 1.00 0.00 O ATOM 895 CB ILE A 58 7.517 15.304 9.537 1.00 0.00 C ATOM 896 CG1 ILE A 58 8.903 14.623 9.479 1.00 0.00 C ATOM 897 CG2 ILE A 58 7.597 16.652 10.281 1.00 0.00 C ATOM 898 CD1 ILE A 58 9.924 15.362 8.609 1.00 0.00 C ATOM 0 H ILE A 58 6.015 13.526 8.326 1.00 0.00 H new ATOM 0 HA ILE A 58 6.921 13.989 11.116 1.00 0.00 H new ATOM 0 HB ILE A 58 7.181 15.528 8.525 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.297 14.538 10.492 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.783 13.609 9.098 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.331 17.294 9.793 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.621 17.137 10.261 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.896 16.480 11.315 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.870 14.821 8.620 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.553 15.424 7.586 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.076 16.368 9.001 1.00 0.00 H new ATOM 910 N SER A 59 4.916 15.375 11.756 1.00 0.00 N ATOM 911 CA SER A 59 3.714 16.096 12.195 1.00 0.00 C ATOM 912 C SER A 59 4.079 17.379 12.942 1.00 0.00 C ATOM 913 O SER A 59 4.886 17.352 13.879 1.00 0.00 O ATOM 914 CB SER A 59 2.835 15.181 13.055 1.00 0.00 C ATOM 915 OG SER A 59 1.649 15.853 13.446 1.00 0.00 O ATOM 0 H SER A 59 5.559 15.160 12.518 1.00 0.00 H new ATOM 0 HA SER A 59 3.145 16.388 11.312 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.582 14.280 12.496 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.388 14.863 13.939 1.00 0.00 H new ATOM 0 HG SER A 59 1.099 15.254 13.993 1.00 0.00 H new ATOM 921 N LEU A 60 3.501 18.507 12.522 1.00 0.00 N ATOM 922 CA LEU A 60 3.684 19.816 13.158 1.00 0.00 C ATOM 923 C LEU A 60 2.551 20.129 14.153 1.00 0.00 C ATOM 924 O LEU A 60 1.405 19.699 13.980 1.00 0.00 O ATOM 925 CB LEU A 60 3.809 20.929 12.097 1.00 0.00 C ATOM 926 CG LEU A 60 4.806 20.672 10.951 1.00 0.00 C ATOM 927 CD1 LEU A 60 4.902 21.912 10.061 1.00 0.00 C ATOM 928 CD2 LEU A 60 6.219 20.338 11.439 1.00 0.00 C ATOM 0 H LEU A 60 2.880 18.538 11.714 1.00 0.00 H new ATOM 0 HA LEU A 60 4.614 19.778 13.725 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.824 21.099 11.662 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.098 21.851 12.601 1.00 0.00 H new ATOM 0 HG LEU A 60 4.422 19.810 10.406 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.608 21.725 9.252 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.921 22.136 9.642 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.245 22.760 10.654 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.870 20.169 10.581 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.606 21.169 12.029 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.188 19.439 12.054 1.00 0.00 H new ATOM 940 N ILE A 61 2.874 20.919 15.179 1.00 0.00 N ATOM 941 CA ILE A 61 1.967 21.373 16.250 1.00 0.00 C ATOM 942 C ILE A 61 2.101 22.885 16.467 1.00 0.00 C ATOM 943 O ILE A 61 3.088 23.489 16.051 1.00 0.00 O ATOM 944 CB ILE A 61 2.182 20.548 17.547 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.631 20.521 18.096 1.00 0.00 C ATOM 946 CG2 ILE A 61 1.707 19.102 17.326 1.00 0.00 C ATOM 947 CD1 ILE A 61 4.023 21.751 18.929 1.00 0.00 C ATOM 0 H ILE A 61 3.820 21.281 15.297 1.00 0.00 H new ATOM 0 HA ILE A 61 0.937 21.193 15.942 1.00 0.00 H new ATOM 0 HB ILE A 61 1.591 21.064 18.304 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.757 19.629 18.709 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.322 20.431 17.257 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.859 18.526 18.238 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.648 19.102 17.070 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.277 18.652 16.513 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.052 21.646 19.271 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.934 22.648 18.317 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.361 21.833 19.791 1.00 0.00 H new ATOM 959 N GLU A 62 1.123 23.528 17.105 1.00 0.00 N ATOM 960 CA GLU A 62 1.199 24.964 17.425 1.00 0.00 C ATOM 961 C GLU A 62 2.224 25.243 18.544 1.00 0.00 C ATOM 962 O GLU A 62 2.256 24.552 19.562 1.00 0.00 O ATOM 963 CB GLU A 62 -0.180 25.531 17.801 1.00 0.00 C ATOM 964 CG GLU A 62 -1.180 25.445 16.638 1.00 0.00 C ATOM 965 CD GLU A 62 -2.501 26.175 16.954 1.00 0.00 C ATOM 966 OE1 GLU A 62 -3.575 25.520 16.966 1.00 0.00 O ATOM 967 OE2 GLU A 62 -2.487 27.414 17.172 1.00 0.00 O1- ATOM 0 H GLU A 62 0.261 23.079 17.414 1.00 0.00 H new ATOM 0 HA GLU A 62 1.539 25.473 16.523 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.574 24.985 18.658 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.072 26.571 18.109 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.733 25.877 15.743 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.389 24.398 16.416 1.00 0.00 H new ATOM 974 N GLU A 63 3.058 26.275 18.373 1.00 0.00 N ATOM 975 CA GLU A 63 4.152 26.630 19.302 1.00 0.00 C ATOM 976 C GLU A 63 3.682 27.285 20.621 1.00 0.00 C ATOM 977 O GLU A 63 4.481 27.468 21.545 1.00 0.00 O ATOM 978 CB GLU A 63 5.204 27.475 18.557 1.00 0.00 C ATOM 979 CG GLU A 63 4.774 28.908 18.197 1.00 0.00 C ATOM 980 CD GLU A 63 5.141 29.958 19.266 1.00 0.00 C ATOM 981 OE1 GLU A 63 6.328 30.054 19.656 1.00 0.00 O ATOM 982 OE2 GLU A 63 4.242 30.731 19.682 1.00 0.00 O1- ATOM 0 H GLU A 63 2.995 26.903 17.571 1.00 0.00 H new ATOM 0 HA GLU A 63 4.612 25.698 19.631 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.102 27.528 19.172 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.477 26.955 17.638 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.238 29.189 17.251 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.695 28.925 18.041 1.00 0.00 H new ATOM 1115 N MET B 3 15.754 3.398 10.045 1.00 0.00 N ATOM 1116 CA MET B 3 15.751 4.202 11.273 1.00 0.00 C ATOM 1117 C MET B 3 16.761 5.362 11.205 1.00 0.00 C ATOM 1118 O MET B 3 17.853 5.231 10.640 1.00 0.00 O ATOM 1119 CB MET B 3 16.040 3.322 12.497 1.00 0.00 C ATOM 1120 CG MET B 3 14.885 2.371 12.846 1.00 0.00 C ATOM 1121 SD MET B 3 14.788 0.827 11.890 1.00 0.00 S ATOM 1122 CE MET B 3 16.179 -0.079 12.627 1.00 0.00 C ATOM 0 HA MET B 3 14.755 4.634 11.371 1.00 0.00 H new ATOM 0 HB2 MET B 3 16.940 2.736 12.311 1.00 0.00 H new ATOM 0 HB3 MET B 3 16.247 3.961 13.355 1.00 0.00 H new ATOM 0 HG2 MET B 3 14.962 2.114 13.902 1.00 0.00 H new ATOM 0 HG3 MET B 3 13.947 2.912 12.717 1.00 0.00 H new ATOM 0 HE1 MET B 3 16.191 -1.100 12.246 1.00 0.00 H new ATOM 0 HE2 MET B 3 17.114 0.417 12.367 1.00 0.00 H new ATOM 0 HE3 MET B 3 16.067 -0.098 13.711 1.00 0.00 H new ATOM 1132 N ALA B 4 16.395 6.502 11.796 1.00 0.00 N ATOM 1133 CA ALA B 4 17.255 7.681 11.949 1.00 0.00 C ATOM 1134 C ALA B 4 18.182 7.574 13.176 1.00 0.00 C ATOM 1135 O ALA B 4 18.112 6.605 13.940 1.00 0.00 O ATOM 1136 CB ALA B 4 16.340 8.912 12.029 1.00 0.00 C ATOM 0 H ALA B 4 15.465 6.635 12.193 1.00 0.00 H new ATOM 0 HA ALA B 4 17.924 7.763 11.092 1.00 0.00 H new ATOM 0 HB1 ALA B 4 16.947 9.810 12.143 1.00 0.00 H new ATOM 0 HB2 ALA B 4 15.750 8.987 11.115 1.00 0.00 H new ATOM 0 HB3 ALA B 4 15.672 8.814 12.885 1.00 0.00 H new ATOM 1142 N LYS B 5 19.001 8.608 13.420 1.00 0.00 N ATOM 1143 CA LYS B 5 19.606 8.895 14.734 1.00 0.00 C ATOM 1144 C LYS B 5 19.165 10.255 15.282 1.00 0.00 C ATOM 1145 O LYS B 5 18.891 11.177 14.512 1.00 0.00 O ATOM 1146 CB LYS B 5 21.139 8.736 14.704 1.00 0.00 C ATOM 1147 CG LYS B 5 21.890 9.826 13.923 1.00 0.00 C ATOM 1148 CD LYS B 5 23.400 9.700 14.165 1.00 0.00 C ATOM 1149 CE LYS B 5 24.169 10.851 13.502 1.00 0.00 C ATOM 1150 NZ LYS B 5 25.605 10.825 13.872 1.00 0.00 N1+ ATOM 0 H LYS B 5 19.267 9.280 12.700 1.00 0.00 H new ATOM 0 HA LYS B 5 19.231 8.148 15.433 1.00 0.00 H new ATOM 0 HB2 LYS B 5 21.508 8.725 15.730 1.00 0.00 H new ATOM 0 HB3 LYS B 5 21.380 7.766 14.268 1.00 0.00 H new ATOM 0 HG2 LYS B 5 21.675 9.735 12.858 1.00 0.00 H new ATOM 0 HG3 LYS B 5 21.545 10.812 14.235 1.00 0.00 H new ATOM 0 HD2 LYS B 5 23.600 9.696 15.237 1.00 0.00 H new ATOM 0 HD3 LYS B 5 23.755 8.748 13.771 1.00 0.00 H new ATOM 0 HE2 LYS B 5 24.069 10.781 12.419 1.00 0.00 H new ATOM 0 HE3 LYS B 5 23.731 11.803 13.802 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 26.133 11.479 13.259 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 25.713 11.117 14.864 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 25.977 9.861 13.752 1.00 0.00 H new ATOM 1164 N VAL B 6 19.138 10.382 16.608 1.00 0.00 N ATOM 1165 CA VAL B 6 18.899 11.648 17.326 1.00 0.00 C ATOM 1166 C VAL B 6 20.219 12.212 17.874 1.00 0.00 C ATOM 1167 O VAL B 6 21.079 11.454 18.320 1.00 0.00 O ATOM 1168 CB VAL B 6 17.840 11.473 18.430 1.00 0.00 C ATOM 1169 CG1 VAL B 6 17.658 12.696 19.337 1.00 0.00 C ATOM 1170 CG2 VAL B 6 16.466 11.161 17.831 1.00 0.00 C ATOM 0 H VAL B 6 19.285 9.591 17.235 1.00 0.00 H new ATOM 0 HA VAL B 6 18.498 12.376 16.620 1.00 0.00 H new ATOM 0 HB VAL B 6 18.223 10.649 19.032 1.00 0.00 H new ATOM 0 HG11 VAL B 6 16.894 12.484 20.085 1.00 0.00 H new ATOM 0 HG12 VAL B 6 18.600 12.923 19.836 1.00 0.00 H new ATOM 0 HG13 VAL B 6 17.350 13.552 18.736 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.738 11.042 18.633 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.159 11.979 17.180 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.522 10.239 17.253 1.00 0.00 H new ATOM 1180 N VAL B 7 20.364 13.537 17.888 1.00 0.00 N ATOM 1181 CA VAL B 7 21.446 14.288 18.557 1.00 0.00 C ATOM 1182 C VAL B 7 20.870 15.436 19.405 1.00 0.00 C ATOM 1183 O VAL B 7 19.930 16.125 18.990 1.00 0.00 O ATOM 1184 CB VAL B 7 22.514 14.766 17.551 1.00 0.00 C ATOM 1185 CG1 VAL B 7 21.992 15.717 16.468 1.00 0.00 C ATOM 1186 CG2 VAL B 7 23.684 15.477 18.254 1.00 0.00 C ATOM 0 H VAL B 7 19.703 14.152 17.413 1.00 0.00 H new ATOM 0 HA VAL B 7 21.958 13.612 19.241 1.00 0.00 H new ATOM 0 HB VAL B 7 22.839 13.843 17.071 1.00 0.00 H new ATOM 0 HG11 VAL B 7 22.811 16.000 15.807 1.00 0.00 H new ATOM 0 HG12 VAL B 7 21.215 15.218 15.889 1.00 0.00 H new ATOM 0 HG13 VAL B 7 21.578 16.610 16.937 1.00 0.00 H new ATOM 0 HG21 VAL B 7 24.414 15.798 17.511 1.00 0.00 H new ATOM 0 HG22 VAL B 7 23.310 16.347 18.794 1.00 0.00 H new ATOM 0 HG23 VAL B 7 24.158 14.791 18.956 1.00 0.00 H new ATOM 1196 N LEU B 8 21.435 15.635 20.598 1.00 0.00 N ATOM 1197 CA LEU B 8 21.054 16.677 21.559 1.00 0.00 C ATOM 1198 C LEU B 8 22.271 17.189 22.344 1.00 0.00 C ATOM 1199 O LEU B 8 23.313 16.528 22.385 1.00 0.00 O ATOM 1200 CB LEU B 8 19.940 16.142 22.481 1.00 0.00 C ATOM 1201 CG LEU B 8 20.323 15.003 23.451 1.00 0.00 C ATOM 1202 CD1 LEU B 8 20.821 15.522 24.810 1.00 0.00 C ATOM 1203 CD2 LEU B 8 19.104 14.124 23.735 1.00 0.00 C ATOM 0 H LEU B 8 22.201 15.052 20.936 1.00 0.00 H new ATOM 0 HA LEU B 8 20.662 17.538 21.018 1.00 0.00 H new ATOM 0 HB2 LEU B 8 19.558 16.976 23.070 1.00 0.00 H new ATOM 0 HB3 LEU B 8 19.120 15.792 21.854 1.00 0.00 H new ATOM 0 HG LEU B 8 21.123 14.448 22.961 1.00 0.00 H new ATOM 0 HD11 LEU B 8 21.076 14.678 25.451 1.00 0.00 H new ATOM 0 HD12 LEU B 8 21.704 16.144 24.661 1.00 0.00 H new ATOM 0 HD13 LEU B 8 20.037 16.113 25.283 1.00 0.00 H new ATOM 0 HD21 LEU B 8 19.384 13.324 24.420 1.00 0.00 H new ATOM 0 HD22 LEU B 8 18.317 14.728 24.186 1.00 0.00 H new ATOM 0 HD23 LEU B 8 18.741 13.693 22.802 1.00 0.00 H new ATOM 1215 N THR B 9 22.113 18.344 23.001 1.00 0.00 N ATOM 1216 CA THR B 9 23.104 18.905 23.940 1.00 0.00 C ATOM 1217 C THR B 9 22.467 19.106 25.319 1.00 0.00 C ATOM 1218 O THR B 9 21.393 19.703 25.431 1.00 0.00 O ATOM 1219 CB THR B 9 23.714 20.222 23.427 1.00 0.00 C ATOM 1220 OG1 THR B 9 24.168 20.095 22.092 1.00 0.00 O ATOM 1221 CG2 THR B 9 24.925 20.649 24.257 1.00 0.00 C ATOM 0 H THR B 9 21.283 18.927 22.897 1.00 0.00 H new ATOM 0 HA THR B 9 23.921 18.188 24.022 1.00 0.00 H new ATOM 0 HB THR B 9 22.917 20.962 23.501 1.00 0.00 H new ATOM 0 HG1 THR B 9 24.548 20.947 21.793 1.00 0.00 H new ATOM 0 HG21 THR B 9 25.326 21.583 23.862 1.00 0.00 H new ATOM 0 HG22 THR B 9 24.622 20.794 25.294 1.00 0.00 H new ATOM 0 HG23 THR B 9 25.691 19.875 24.207 1.00 0.00 H new ATOM 1229 N LYS B 10 23.118 18.601 26.373 1.00 0.00 N ATOM 1230 CA LYS B 10 22.655 18.671 27.769 1.00 0.00 C ATOM 1231 C LYS B 10 22.812 20.078 28.358 1.00 0.00 C ATOM 1232 O LYS B 10 23.586 20.891 27.852 1.00 0.00 O ATOM 1233 CB LYS B 10 23.436 17.640 28.605 1.00 0.00 C ATOM 1234 CG LYS B 10 23.159 16.193 28.171 1.00 0.00 C ATOM 1235 CD LYS B 10 23.914 15.156 29.023 1.00 0.00 C ATOM 1236 CE LYS B 10 25.431 15.226 28.805 1.00 0.00 C ATOM 1237 NZ LYS B 10 26.135 14.176 29.589 1.00 0.00 N1+ ATOM 0 H LYS B 10 24.010 18.116 26.278 1.00 0.00 H new ATOM 0 HA LYS B 10 21.590 18.440 27.793 1.00 0.00 H new ATOM 0 HB2 LYS B 10 24.504 17.843 28.519 1.00 0.00 H new ATOM 0 HB3 LYS B 10 23.173 17.756 29.656 1.00 0.00 H new ATOM 0 HG2 LYS B 10 22.088 15.998 28.236 1.00 0.00 H new ATOM 0 HG3 LYS B 10 23.442 16.072 27.125 1.00 0.00 H new ATOM 0 HD2 LYS B 10 23.691 15.322 30.077 1.00 0.00 H new ATOM 0 HD3 LYS B 10 23.558 14.156 28.776 1.00 0.00 H new ATOM 0 HE2 LYS B 10 25.655 15.104 27.745 1.00 0.00 H new ATOM 0 HE3 LYS B 10 25.798 16.210 29.097 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 27.159 14.247 29.423 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 25.939 14.309 30.602 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 25.800 13.237 29.292 1.00 0.00 H new ATOM 1251 N ALA B 11 22.164 20.335 29.496 1.00 0.00 N ATOM 1252 CA ALA B 11 22.361 21.561 30.285 1.00 0.00 C ATOM 1253 C ALA B 11 23.813 21.729 30.795 1.00 0.00 C ATOM 1254 O ALA B 11 24.269 22.850 31.028 1.00 0.00 O ATOM 1255 CB ALA B 11 21.366 21.548 31.448 1.00 0.00 C ATOM 0 H ALA B 11 21.481 19.695 29.902 1.00 0.00 H new ATOM 0 HA ALA B 11 22.181 22.419 29.638 1.00 0.00 H new ATOM 0 HB1 ALA B 11 21.495 22.449 32.047 1.00 0.00 H new ATOM 0 HB2 ALA B 11 20.349 21.515 31.057 1.00 0.00 H new ATOM 0 HB3 ALA B 11 21.544 20.671 32.070 1.00 0.00 H new ATOM 1261 N ASP B 12 24.566 20.626 30.930 1.00 0.00 N ATOM 1262 CA ASP B 12 26.008 20.600 31.251 1.00 0.00 C ATOM 1263 C ASP B 12 26.923 21.007 30.068 1.00 0.00 C ATOM 1264 O ASP B 12 28.137 21.122 30.236 1.00 0.00 O ATOM 1265 CB ASP B 12 26.392 19.193 31.753 1.00 0.00 C ATOM 1266 CG ASP B 12 25.632 18.720 33.005 1.00 0.00 C ATOM 1267 OD1 ASP B 12 25.492 17.484 33.181 1.00 0.00 O ATOM 1268 OD2 ASP B 12 25.202 19.556 33.834 1.00 0.00 O1- ATOM 0 H ASP B 12 24.176 19.691 30.815 1.00 0.00 H new ATOM 0 HA ASP B 12 26.170 21.348 32.027 1.00 0.00 H new ATOM 0 HB2 ASP B 12 26.219 18.477 30.949 1.00 0.00 H new ATOM 0 HB3 ASP B 12 27.460 19.179 31.968 1.00 0.00 H new ATOM 1273 N GLY B 13 26.364 21.209 28.865 1.00 0.00 N ATOM 1274 CA GLY B 13 27.073 21.578 27.637 1.00 0.00 C ATOM 1275 C GLY B 13 27.658 20.406 26.832 1.00 0.00 C ATOM 1276 O GLY B 13 28.161 20.616 25.728 1.00 0.00 O ATOM 0 H GLY B 13 25.359 21.114 28.719 1.00 0.00 H new ATOM 0 HA2 GLY B 13 26.387 22.131 26.995 1.00 0.00 H new ATOM 0 HA3 GLY B 13 27.884 22.258 27.897 1.00 0.00 H new ATOM 1280 N GLY B 14 27.578 19.172 27.344 1.00 0.00 N ATOM 1281 CA GLY B 14 28.000 17.951 26.643 1.00 0.00 C ATOM 1282 C GLY B 14 26.921 17.401 25.700 1.00 0.00 C ATOM 1283 O GLY B 14 25.732 17.434 26.029 1.00 0.00 O ATOM 0 H GLY B 14 27.210 18.989 28.278 1.00 0.00 H new ATOM 0 HA2 GLY B 14 28.903 18.161 26.070 1.00 0.00 H new ATOM 0 HA3 GLY B 14 28.258 17.187 27.377 1.00 0.00 H new ATOM 1287 N ARG B 15 27.312 16.901 24.517 1.00 0.00 N ATOM 1288 CA ARG B 15 26.390 16.262 23.553 1.00 0.00 C ATOM 1289 C ARG B 15 26.079 14.796 23.890 1.00 0.00 C ATOM 1290 O ARG B 15 26.871 14.109 24.541 1.00 0.00 O ATOM 1291 CB ARG B 15 26.904 16.380 22.113 1.00 0.00 C ATOM 1292 CG ARG B 15 27.059 17.836 21.643 1.00 0.00 C ATOM 1293 CD ARG B 15 27.039 17.948 20.108 1.00 0.00 C ATOM 1294 NE ARG B 15 28.155 17.215 19.467 1.00 0.00 N ATOM 1295 CZ ARG B 15 28.118 16.032 18.871 1.00 0.00 C ATOM 1296 NH1 ARG B 15 27.037 15.326 18.776 1.00 0.00 N1+ ATOM 1297 NH2 ARG B 15 29.189 15.514 18.348 1.00 0.00 N ATOM 0 H ARG B 15 28.280 16.927 24.197 1.00 0.00 H new ATOM 0 HA ARG B 15 25.454 16.814 23.637 1.00 0.00 H new ATOM 0 HB2 ARG B 15 27.867 15.875 22.035 1.00 0.00 H new ATOM 0 HB3 ARG B 15 26.217 15.860 21.445 1.00 0.00 H new ATOM 0 HG2 ARG B 15 26.254 18.440 22.062 1.00 0.00 H new ATOM 0 HG3 ARG B 15 27.995 18.243 22.025 1.00 0.00 H new ATOM 0 HD2 ARG B 15 26.092 17.561 19.732 1.00 0.00 H new ATOM 0 HD3 ARG B 15 27.089 18.999 19.824 1.00 0.00 H new ATOM 0 HE ARG B 15 29.064 17.678 19.487 1.00 0.00 H new ATOM 0 HH11 ARG B 15 26.163 15.675 19.170 1.00 0.00 H new ATOM 0 HH12 ARG B 15 27.059 14.420 18.307 1.00 0.00 H new ATOM 0 HH21 ARG B 15 30.074 16.019 18.393 1.00 0.00 H new ATOM 0 HH22 ARG B 15 29.145 14.602 17.893 1.00 0.00 H new ATOM 1311 N VAL B 16 24.943 14.318 23.381 1.00 0.00 N ATOM 1312 CA VAL B 16 24.494 12.916 23.404 1.00 0.00 C ATOM 1313 C VAL B 16 23.929 12.547 22.029 1.00 0.00 C ATOM 1314 O VAL B 16 23.247 13.358 21.402 1.00 0.00 O ATOM 1315 CB VAL B 16 23.460 12.672 24.527 1.00 0.00 C ATOM 1316 CG1 VAL B 16 22.930 11.231 24.542 1.00 0.00 C ATOM 1317 CG2 VAL B 16 24.032 12.968 25.918 1.00 0.00 C ATOM 0 H VAL B 16 24.271 14.928 22.915 1.00 0.00 H new ATOM 0 HA VAL B 16 25.346 12.272 23.621 1.00 0.00 H new ATOM 0 HB VAL B 16 22.644 13.360 24.304 1.00 0.00 H new ATOM 0 HG11 VAL B 16 22.208 11.117 25.351 1.00 0.00 H new ATOM 0 HG12 VAL B 16 22.447 11.011 23.590 1.00 0.00 H new ATOM 0 HG13 VAL B 16 23.759 10.540 24.696 1.00 0.00 H new ATOM 0 HG21 VAL B 16 23.268 12.782 26.673 1.00 0.00 H new ATOM 0 HG22 VAL B 16 24.890 12.322 26.103 1.00 0.00 H new ATOM 0 HG23 VAL B 16 24.345 14.011 25.968 1.00 0.00 H new ATOM 1327 N GLU B 17 24.187 11.319 21.566 1.00 0.00 N ATOM 1328 CA GLU B 17 23.625 10.757 20.328 1.00 0.00 C ATOM 1329 C GLU B 17 22.961 9.391 20.573 1.00 0.00 C ATOM 1330 O GLU B 17 23.423 8.592 21.397 1.00 0.00 O ATOM 1331 CB GLU B 17 24.692 10.658 19.219 1.00 0.00 C ATOM 1332 CG GLU B 17 25.166 12.045 18.749 1.00 0.00 C ATOM 1333 CD GLU B 17 26.159 11.996 17.569 1.00 0.00 C ATOM 1334 OE1 GLU B 17 27.109 12.822 17.558 1.00 0.00 O ATOM 1335 OE2 GLU B 17 25.976 11.186 16.623 1.00 0.00 O1- ATOM 0 H GLU B 17 24.807 10.671 22.052 1.00 0.00 H new ATOM 0 HA GLU B 17 22.850 11.445 19.988 1.00 0.00 H new ATOM 0 HB2 GLU B 17 25.546 10.089 19.587 1.00 0.00 H new ATOM 0 HB3 GLU B 17 24.284 10.108 18.371 1.00 0.00 H new ATOM 0 HG2 GLU B 17 24.298 12.636 18.457 1.00 0.00 H new ATOM 0 HG3 GLU B 17 25.636 12.561 19.586 1.00 0.00 H new ATOM 1342 N ILE B 18 21.861 9.126 19.865 1.00 0.00 N ATOM 1343 CA ILE B 18 21.003 7.939 20.025 1.00 0.00 C ATOM 1344 C ILE B 18 20.762 7.324 18.640 1.00 0.00 C ATOM 1345 O ILE B 18 20.044 7.904 17.820 1.00 0.00 O ATOM 1346 CB ILE B 18 19.660 8.301 20.715 1.00 0.00 C ATOM 1347 CG1 ILE B 18 19.841 9.119 22.017 1.00 0.00 C ATOM 1348 CG2 ILE B 18 18.845 7.022 20.986 1.00 0.00 C ATOM 1349 CD1 ILE B 18 18.530 9.715 22.537 1.00 0.00 C ATOM 0 H ILE B 18 21.526 9.754 19.134 1.00 0.00 H new ATOM 0 HA ILE B 18 21.502 7.215 20.669 1.00 0.00 H new ATOM 0 HB ILE B 18 19.115 8.945 20.026 1.00 0.00 H new ATOM 0 HG12 ILE B 18 20.272 8.477 22.786 1.00 0.00 H new ATOM 0 HG13 ILE B 18 20.554 9.924 21.838 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.905 7.286 21.470 1.00 0.00 H new ATOM 0 HG22 ILE B 18 18.638 6.516 20.043 1.00 0.00 H new ATOM 0 HG23 ILE B 18 19.415 6.359 21.637 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.723 10.276 23.451 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.109 10.381 21.784 1.00 0.00 H new ATOM 0 HD13 ILE B 18 17.823 8.912 22.747 1.00 0.00 H new ATOM 1361 N GLY B 19 21.382 6.173 18.363 1.00 0.00 N ATOM 1362 CA GLY B 19 21.273 5.471 17.079 1.00 0.00 C ATOM 1363 C GLY B 19 19.974 4.669 16.910 1.00 0.00 C ATOM 1364 O GLY B 19 19.371 4.207 17.886 1.00 0.00 O ATOM 0 H GLY B 19 21.983 5.695 19.034 1.00 0.00 H new ATOM 0 HA2 GLY B 19 21.345 6.200 16.272 1.00 0.00 H new ATOM 0 HA3 GLY B 19 22.121 4.794 16.974 1.00 0.00 H new ATOM 1368 N ASP B 20 19.582 4.460 15.653 1.00 0.00 N ATOM 1369 CA ASP B 20 18.521 3.538 15.213 1.00 0.00 C ATOM 1370 C ASP B 20 17.162 3.735 15.922 1.00 0.00 C ATOM 1371 O ASP B 20 16.575 2.803 16.495 1.00 0.00 O ATOM 1372 CB ASP B 20 19.027 2.082 15.248 1.00 0.00 C ATOM 1373 CG ASP B 20 20.298 1.820 14.414 1.00 0.00 C ATOM 1374 OD1 ASP B 20 21.030 0.847 14.725 1.00 0.00 O ATOM 1375 OD2 ASP B 20 20.569 2.554 13.432 1.00 0.00 O1- ATOM 0 H ASP B 20 20.014 4.951 14.871 1.00 0.00 H new ATOM 0 HA ASP B 20 18.296 3.791 14.177 1.00 0.00 H new ATOM 0 HB2 ASP B 20 19.225 1.806 16.284 1.00 0.00 H new ATOM 0 HB3 ASP B 20 18.233 1.427 14.890 1.00 0.00 H new ATOM 1380 N VAL B 21 16.648 4.969 15.896 1.00 0.00 N ATOM 1381 CA VAL B 21 15.346 5.341 16.474 1.00 0.00 C ATOM 1382 C VAL B 21 14.164 4.972 15.565 1.00 0.00 C ATOM 1383 O VAL B 21 14.167 5.234 14.361 1.00 0.00 O ATOM 1384 CB VAL B 21 15.303 6.817 16.904 1.00 0.00 C ATOM 1385 CG1 VAL B 21 16.437 7.152 17.884 1.00 0.00 C ATOM 1386 CG2 VAL B 21 15.342 7.842 15.766 1.00 0.00 C ATOM 0 H VAL B 21 17.133 5.756 15.464 1.00 0.00 H new ATOM 0 HA VAL B 21 15.235 4.742 17.378 1.00 0.00 H new ATOM 0 HB VAL B 21 14.326 6.907 17.378 1.00 0.00 H new ATOM 0 HG11 VAL B 21 16.375 8.203 18.166 1.00 0.00 H new ATOM 0 HG12 VAL B 21 16.343 6.531 18.775 1.00 0.00 H new ATOM 0 HG13 VAL B 21 17.398 6.960 17.407 1.00 0.00 H new ATOM 0 HG21 VAL B 21 15.307 8.849 16.182 1.00 0.00 H new ATOM 0 HG22 VAL B 21 16.262 7.717 15.195 1.00 0.00 H new ATOM 0 HG23 VAL B 21 14.485 7.690 15.110 1.00 0.00 H new ATOM 1396 N LEU B 22 13.127 4.372 16.158 1.00 0.00 N ATOM 1397 CA LEU B 22 11.844 4.077 15.517 1.00 0.00 C ATOM 1398 C LEU B 22 10.908 5.296 15.499 1.00 0.00 C ATOM 1399 O LEU B 22 10.117 5.444 14.564 1.00 0.00 O ATOM 1400 CB LEU B 22 11.144 2.926 16.274 1.00 0.00 C ATOM 1401 CG LEU B 22 11.852 1.563 16.241 1.00 0.00 C ATOM 1402 CD1 LEU B 22 11.053 0.571 17.088 1.00 0.00 C ATOM 1403 CD2 LEU B 22 11.956 0.992 14.824 1.00 0.00 C ATOM 0 H LEU B 22 13.160 4.068 17.131 1.00 0.00 H new ATOM 0 HA LEU B 22 12.053 3.796 14.485 1.00 0.00 H new ATOM 0 HB2 LEU B 22 11.023 3.224 17.315 1.00 0.00 H new ATOM 0 HB3 LEU B 22 10.143 2.802 15.860 1.00 0.00 H new ATOM 0 HG LEU B 22 12.861 1.711 16.627 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.546 -0.401 17.072 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.996 0.932 18.115 1.00 0.00 H new ATOM 0 HD13 LEU B 22 10.046 0.474 16.681 1.00 0.00 H new ATOM 0 HD21 LEU B 22 12.464 0.028 14.856 1.00 0.00 H new ATOM 0 HD22 LEU B 22 10.956 0.861 14.410 1.00 0.00 H new ATOM 0 HD23 LEU B 22 12.522 1.680 14.195 1.00 0.00 H new ATOM 1415 N GLU B 23 10.956 6.146 16.532 1.00 0.00 N ATOM 1416 CA GLU B 23 9.995 7.240 16.719 1.00 0.00 C ATOM 1417 C GLU B 23 10.544 8.327 17.650 1.00 0.00 C ATOM 1418 O GLU B 23 11.248 8.022 18.616 1.00 0.00 O ATOM 1419 CB GLU B 23 8.675 6.654 17.258 1.00 0.00 C ATOM 1420 CG GLU B 23 7.523 7.670 17.328 1.00 0.00 C ATOM 1421 CD GLU B 23 6.155 6.980 17.509 1.00 0.00 C ATOM 1422 OE1 GLU B 23 5.375 7.422 18.390 1.00 0.00 O ATOM 1423 OE2 GLU B 23 5.857 5.988 16.798 1.00 0.00 O1- ATOM 0 H GLU B 23 11.665 6.094 17.264 1.00 0.00 H new ATOM 0 HA GLU B 23 9.814 7.722 15.758 1.00 0.00 H new ATOM 0 HB2 GLU B 23 8.373 5.821 16.623 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.849 6.249 18.255 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.695 8.357 18.157 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.510 8.267 16.416 1.00 0.00 H new ATOM 1430 N VAL B 24 10.210 9.593 17.372 1.00 0.00 N ATOM 1431 CA VAL B 24 10.617 10.767 18.164 1.00 0.00 C ATOM 1432 C VAL B 24 9.437 11.728 18.331 1.00 0.00 C ATOM 1433 O VAL B 24 8.680 11.939 17.380 1.00 0.00 O ATOM 1434 CB VAL B 24 11.815 11.503 17.523 1.00 0.00 C ATOM 1435 CG1 VAL B 24 12.317 12.642 18.417 1.00 0.00 C ATOM 1436 CG2 VAL B 24 13.003 10.569 17.260 1.00 0.00 C ATOM 0 H VAL B 24 9.633 9.839 16.568 1.00 0.00 H new ATOM 0 HA VAL B 24 10.933 10.410 19.144 1.00 0.00 H new ATOM 0 HB VAL B 24 11.441 11.894 16.577 1.00 0.00 H new ATOM 0 HG11 VAL B 24 13.160 13.138 17.936 1.00 0.00 H new ATOM 0 HG12 VAL B 24 11.514 13.362 18.574 1.00 0.00 H new ATOM 0 HG13 VAL B 24 12.635 12.237 19.378 1.00 0.00 H new ATOM 0 HG21 VAL B 24 13.818 11.135 16.809 1.00 0.00 H new ATOM 0 HG22 VAL B 24 13.340 10.135 18.201 1.00 0.00 H new ATOM 0 HG23 VAL B 24 12.696 9.772 16.582 1.00 0.00 H new ATOM 1446 N ARG B 25 9.269 12.320 19.523 1.00 0.00 N ATOM 1447 CA ARG B 25 8.145 13.226 19.839 1.00 0.00 C ATOM 1448 C ARG B 25 8.575 14.380 20.738 1.00 0.00 C ATOM 1449 O ARG B 25 9.188 14.132 21.768 1.00 0.00 O ATOM 1450 CB ARG B 25 7.028 12.469 20.569 1.00 0.00 C ATOM 1451 CG ARG B 25 6.576 11.128 19.959 1.00 0.00 C ATOM 1452 CD ARG B 25 5.461 10.612 20.864 1.00 0.00 C ATOM 1453 NE ARG B 25 4.879 9.348 20.403 1.00 0.00 N ATOM 1454 CZ ARG B 25 3.854 8.741 20.960 1.00 0.00 C ATOM 1455 NH1 ARG B 25 3.233 9.216 22.003 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 25 3.440 7.629 20.432 1.00 0.00 N ATOM 0 H ARG B 25 9.912 12.185 20.303 1.00 0.00 H new ATOM 0 HA ARG B 25 7.793 13.618 18.885 1.00 0.00 H new ATOM 0 HB2 ARG B 25 7.358 12.282 21.591 1.00 0.00 H new ATOM 0 HB3 ARG B 25 6.159 13.124 20.629 1.00 0.00 H new ATOM 0 HG2 ARG B 25 6.219 11.264 18.938 1.00 0.00 H new ATOM 0 HG3 ARG B 25 7.403 10.420 19.916 1.00 0.00 H new ATOM 0 HD2 ARG B 25 5.854 10.477 21.872 1.00 0.00 H new ATOM 0 HD3 ARG B 25 4.675 11.365 20.926 1.00 0.00 H new ATOM 0 HE ARG B 25 5.302 8.905 19.587 1.00 0.00 H new ATOM 0 HH11 ARG B 25 3.538 10.095 22.422 1.00 0.00 H new ATOM 0 HH12 ARG B 25 2.442 8.709 22.400 1.00 0.00 H new ATOM 0 HH21 ARG B 25 3.908 7.250 19.608 1.00 0.00 H new ATOM 0 HH22 ARG B 25 2.647 7.134 20.841 1.00 0.00 H new ATOM 1470 N ALA B 26 8.191 15.611 20.421 1.00 0.00 N ATOM 1471 CA ALA B 26 8.192 16.744 21.341 1.00 0.00 C ATOM 1472 C ALA B 26 6.803 16.873 22.004 1.00 0.00 C ATOM 1473 O ALA B 26 5.856 17.387 21.398 1.00 0.00 O ATOM 1474 CB ALA B 26 8.588 17.995 20.556 1.00 0.00 C ATOM 0 H ALA B 26 7.860 15.857 19.488 1.00 0.00 H new ATOM 0 HA ALA B 26 8.914 16.603 22.145 1.00 0.00 H new ATOM 0 HB1 ALA B 26 8.596 18.856 21.224 1.00 0.00 H new ATOM 0 HB2 ALA B 26 9.582 17.858 20.130 1.00 0.00 H new ATOM 0 HB3 ALA B 26 7.869 18.164 19.754 1.00 0.00 H new ATOM 1509 N ALA B 30 8.960 17.928 27.042 1.00 0.00 N ATOM 1510 CA ALA B 30 10.120 17.055 26.862 1.00 0.00 C ATOM 1511 C ALA B 30 10.206 16.516 25.422 1.00 0.00 C ATOM 1512 O ALA B 30 9.232 16.582 24.665 1.00 0.00 O ATOM 1513 CB ALA B 30 9.988 15.894 27.864 1.00 0.00 C ATOM 0 HA ALA B 30 11.035 17.619 27.041 1.00 0.00 H new ATOM 0 HB1 ALA B 30 10.839 15.222 27.756 1.00 0.00 H new ATOM 0 HB2 ALA B 30 9.965 16.290 28.879 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.066 15.346 27.667 1.00 0.00 H new ATOM 1519 N VAL B 31 11.344 15.907 25.070 1.00 0.00 N ATOM 1520 CA VAL B 31 11.418 14.989 23.919 1.00 0.00 C ATOM 1521 C VAL B 31 11.443 13.534 24.377 1.00 0.00 C ATOM 1522 O VAL B 31 12.243 13.165 25.239 1.00 0.00 O ATOM 1523 CB VAL B 31 12.571 15.325 22.959 1.00 0.00 C ATOM 1524 CG1 VAL B 31 12.758 14.260 21.869 1.00 0.00 C ATOM 1525 CG2 VAL B 31 12.257 16.644 22.252 1.00 0.00 C ATOM 0 H VAL B 31 12.228 16.031 25.563 1.00 0.00 H new ATOM 0 HA VAL B 31 10.507 15.132 23.338 1.00 0.00 H new ATOM 0 HB VAL B 31 13.481 15.379 23.557 1.00 0.00 H new ATOM 0 HG11 VAL B 31 13.585 14.546 21.219 1.00 0.00 H new ATOM 0 HG12 VAL B 31 12.978 13.299 22.333 1.00 0.00 H new ATOM 0 HG13 VAL B 31 11.845 14.178 21.280 1.00 0.00 H new ATOM 0 HG21 VAL B 31 13.069 16.892 21.568 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.328 16.544 21.691 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.151 17.437 22.992 1.00 0.00 H new ATOM 1535 N ARG B 32 10.593 12.706 23.766 1.00 0.00 N ATOM 1536 CA ARG B 32 10.599 11.238 23.865 1.00 0.00 C ATOM 1537 C ARG B 32 11.253 10.615 22.631 1.00 0.00 C ATOM 1538 O ARG B 32 11.098 11.136 21.525 1.00 0.00 O ATOM 1539 CB ARG B 32 9.173 10.701 24.049 1.00 0.00 C ATOM 1540 CG ARG B 32 8.543 11.115 25.386 1.00 0.00 C ATOM 1541 CD ARG B 32 7.060 10.719 25.459 1.00 0.00 C ATOM 1542 NE ARG B 32 6.849 9.256 25.513 1.00 0.00 N ATOM 1543 CZ ARG B 32 5.683 8.636 25.429 1.00 0.00 C ATOM 1544 NH1 ARG B 32 4.575 9.250 25.111 1.00 0.00 N1+ ATOM 1545 NH2 ARG B 32 5.604 7.360 25.663 1.00 0.00 N ATOM 0 H ARG B 32 9.848 13.052 23.161 1.00 0.00 H new ATOM 0 HA ARG B 32 11.186 10.959 24.740 1.00 0.00 H new ATOM 0 HB2 ARG B 32 8.547 11.061 23.232 1.00 0.00 H new ATOM 0 HB3 ARG B 32 9.189 9.613 23.983 1.00 0.00 H new ATOM 0 HG2 ARG B 32 9.086 10.645 26.206 1.00 0.00 H new ATOM 0 HG3 ARG B 32 8.639 12.193 25.516 1.00 0.00 H new ATOM 0 HD2 ARG B 32 6.611 11.177 26.341 1.00 0.00 H new ATOM 0 HD3 ARG B 32 6.540 11.123 24.590 1.00 0.00 H new ATOM 0 HE ARG B 32 7.678 8.672 25.625 1.00 0.00 H new ATOM 0 HH11 ARG B 32 4.585 10.251 24.915 1.00 0.00 H new ATOM 0 HH12 ARG B 32 3.700 8.729 25.059 1.00 0.00 H new ATOM 0 HH21 ARG B 32 6.442 6.834 25.912 1.00 0.00 H new ATOM 0 HH22 ARG B 32 4.704 6.884 25.598 1.00 0.00 H new ATOM 1559 N VAL B 33 11.916 9.478 22.817 1.00 0.00 N ATOM 1560 CA VAL B 33 12.513 8.655 21.745 1.00 0.00 C ATOM 1561 C VAL B 33 12.244 7.173 22.007 1.00 0.00 C ATOM 1562 O VAL B 33 12.356 6.714 23.145 1.00 0.00 O ATOM 1563 CB VAL B 33 14.033 8.890 21.607 1.00 0.00 C ATOM 1564 CG1 VAL B 33 14.649 8.163 20.412 1.00 0.00 C ATOM 1565 CG2 VAL B 33 14.422 10.375 21.497 1.00 0.00 C ATOM 0 H VAL B 33 12.063 9.082 23.745 1.00 0.00 H new ATOM 0 HA VAL B 33 12.044 8.957 20.808 1.00 0.00 H new ATOM 0 HB VAL B 33 14.432 8.481 22.535 1.00 0.00 H new ATOM 0 HG11 VAL B 33 15.718 8.370 20.372 1.00 0.00 H new ATOM 0 HG12 VAL B 33 14.491 7.090 20.518 1.00 0.00 H new ATOM 0 HG13 VAL B 33 14.178 8.510 19.492 1.00 0.00 H new ATOM 0 HG21 VAL B 33 15.504 10.462 21.403 1.00 0.00 H new ATOM 0 HG22 VAL B 33 13.945 10.812 20.619 1.00 0.00 H new ATOM 0 HG23 VAL B 33 14.092 10.905 22.391 1.00 0.00 H new ATOM 1575 N THR B 34 11.927 6.412 20.955 1.00 0.00 N ATOM 1576 CA THR B 34 11.856 4.938 20.985 1.00 0.00 C ATOM 1577 C THR B 34 12.933 4.342 20.073 1.00 0.00 C ATOM 1578 O THR B 34 13.025 4.741 18.912 1.00 0.00 O ATOM 1579 CB THR B 34 10.464 4.429 20.565 1.00 0.00 C ATOM 1580 OG1 THR B 34 9.461 5.006 21.378 1.00 0.00 O ATOM 1581 CG2 THR B 34 10.319 2.914 20.700 1.00 0.00 C ATOM 0 H THR B 34 11.708 6.805 20.040 1.00 0.00 H new ATOM 0 HA THR B 34 12.032 4.615 22.011 1.00 0.00 H new ATOM 0 HB THR B 34 10.353 4.712 19.518 1.00 0.00 H new ATOM 0 HG1 THR B 34 8.582 4.675 21.098 1.00 0.00 H new ATOM 0 HG21 THR B 34 9.318 2.615 20.390 1.00 0.00 H new ATOM 0 HG22 THR B 34 11.057 2.420 20.068 1.00 0.00 H new ATOM 0 HG23 THR B 34 10.478 2.624 21.739 1.00 0.00 H new ATOM 1589 N THR B 35 13.726 3.378 20.553 1.00 0.00 N ATOM 1590 CA THR B 35 14.755 2.670 19.756 1.00 0.00 C ATOM 1591 C THR B 35 14.270 1.306 19.245 1.00 0.00 C ATOM 1592 O THR B 35 13.237 0.793 19.677 1.00 0.00 O ATOM 1593 CB THR B 35 16.066 2.494 20.540 1.00 0.00 C ATOM 1594 OG1 THR B 35 15.870 1.645 21.653 1.00 0.00 O ATOM 1595 CG2 THR B 35 16.635 3.825 21.025 1.00 0.00 C ATOM 0 H THR B 35 13.677 3.057 21.520 1.00 0.00 H new ATOM 0 HA THR B 35 14.946 3.305 18.891 1.00 0.00 H new ATOM 0 HB THR B 35 16.782 2.047 19.851 1.00 0.00 H new ATOM 0 HG1 THR B 35 16.715 1.543 22.139 1.00 0.00 H new ATOM 0 HG21 THR B 35 17.560 3.647 21.573 1.00 0.00 H new ATOM 0 HG22 THR B 35 16.838 4.468 20.168 1.00 0.00 H new ATOM 0 HG23 THR B 35 15.913 4.312 21.681 1.00 0.00 H new ATOM 1603 N LEU B 36 15.030 0.697 18.327 1.00 0.00 N ATOM 1604 CA LEU B 36 14.750 -0.624 17.737 1.00 0.00 C ATOM 1605 C LEU B 36 14.624 -1.784 18.755 1.00 0.00 C ATOM 1606 O LEU B 36 14.090 -2.840 18.415 1.00 0.00 O ATOM 1607 CB LEU B 36 15.790 -0.936 16.637 1.00 0.00 C ATOM 1608 CG LEU B 36 17.156 -1.499 17.098 1.00 0.00 C ATOM 1609 CD1 LEU B 36 18.016 -1.818 15.877 1.00 0.00 C ATOM 1610 CD2 LEU B 36 17.927 -0.526 17.995 1.00 0.00 C ATOM 0 H LEU B 36 15.883 1.120 17.961 1.00 0.00 H new ATOM 0 HA LEU B 36 13.755 -0.555 17.297 1.00 0.00 H new ATOM 0 HB2 LEU B 36 15.346 -1.651 15.944 1.00 0.00 H new ATOM 0 HB3 LEU B 36 15.974 -0.020 16.075 1.00 0.00 H new ATOM 0 HG LEU B 36 16.947 -2.397 17.680 1.00 0.00 H new ATOM 0 HD11 LEU B 36 18.978 -2.214 16.203 1.00 0.00 H new ATOM 0 HD12 LEU B 36 17.509 -2.559 15.258 1.00 0.00 H new ATOM 0 HD13 LEU B 36 18.176 -0.909 15.297 1.00 0.00 H new ATOM 0 HD21 LEU B 36 18.876 -0.975 18.287 1.00 0.00 H new ATOM 0 HD22 LEU B 36 18.115 0.399 17.451 1.00 0.00 H new ATOM 0 HD23 LEU B 36 17.339 -0.309 18.887 1.00 0.00 H new ATOM 1622 N PHE B 37 15.094 -1.596 19.993 1.00 0.00 N ATOM 1623 CA PHE B 37 14.953 -2.548 21.102 1.00 0.00 C ATOM 1624 C PHE B 37 13.589 -2.453 21.822 1.00 0.00 C ATOM 1625 O PHE B 37 13.376 -3.131 22.830 1.00 0.00 O ATOM 1626 CB PHE B 37 16.118 -2.343 22.088 1.00 0.00 C ATOM 1627 CG PHE B 37 17.505 -2.416 21.475 1.00 0.00 C ATOM 1628 CD1 PHE B 37 17.900 -3.549 20.733 1.00 0.00 C ATOM 1629 CD2 PHE B 37 18.413 -1.349 21.638 1.00 0.00 C ATOM 1630 CE1 PHE B 37 19.189 -3.617 20.174 1.00 0.00 C ATOM 1631 CE2 PHE B 37 19.703 -1.418 21.078 1.00 0.00 C ATOM 1632 CZ PHE B 37 20.088 -2.551 20.346 1.00 0.00 C ATOM 0 H PHE B 37 15.599 -0.751 20.260 1.00 0.00 H new ATOM 0 HA PHE B 37 14.989 -3.554 20.683 1.00 0.00 H new ATOM 0 HB2 PHE B 37 16.001 -1.371 22.567 1.00 0.00 H new ATOM 0 HB3 PHE B 37 16.045 -3.096 22.873 1.00 0.00 H new ATOM 0 HD1 PHE B 37 17.210 -4.368 20.594 1.00 0.00 H new ATOM 0 HD2 PHE B 37 18.117 -0.473 22.196 1.00 0.00 H new ATOM 0 HE1 PHE B 37 19.488 -4.489 19.612 1.00 0.00 H new ATOM 0 HE2 PHE B 37 20.395 -0.600 21.212 1.00 0.00 H new ATOM 0 HZ PHE B 37 21.076 -2.604 19.914 1.00 0.00 H new ATOM 1642 N ASP B 38 12.681 -1.598 21.341 1.00 0.00 N ATOM 1643 CA ASP B 38 11.425 -1.177 21.994 1.00 0.00 C ATOM 1644 C ASP B 38 11.629 -0.420 23.327 1.00 0.00 C ATOM 1645 O ASP B 38 10.682 -0.206 24.087 1.00 0.00 O ATOM 1646 CB ASP B 38 10.400 -2.333 22.097 1.00 0.00 C ATOM 1647 CG ASP B 38 10.143 -3.093 20.781 1.00 0.00 C ATOM 1648 OD1 ASP B 38 9.862 -4.315 20.848 1.00 0.00 O ATOM 1649 OD2 ASP B 38 10.165 -2.485 19.685 1.00 0.00 O1- ATOM 0 H ASP B 38 12.805 -1.152 20.432 1.00 0.00 H new ATOM 0 HA ASP B 38 10.986 -0.434 21.328 1.00 0.00 H new ATOM 0 HB2 ASP B 38 10.749 -3.043 22.847 1.00 0.00 H new ATOM 0 HB3 ASP B 38 9.454 -1.929 22.457 1.00 0.00 H new ATOM 1654 N GLU B 39 12.859 0.012 23.625 1.00 0.00 N ATOM 1655 CA GLU B 39 13.180 0.853 24.786 1.00 0.00 C ATOM 1656 C GLU B 39 12.808 2.318 24.549 1.00 0.00 C ATOM 1657 O GLU B 39 13.034 2.875 23.469 1.00 0.00 O ATOM 1658 CB GLU B 39 14.669 0.734 25.146 1.00 0.00 C ATOM 1659 CG GLU B 39 14.987 -0.623 25.791 1.00 0.00 C ATOM 1660 CD GLU B 39 16.492 -0.816 26.084 1.00 0.00 C ATOM 1661 OE1 GLU B 39 16.939 -1.987 26.160 1.00 0.00 O ATOM 1662 OE2 GLU B 39 17.237 0.176 26.278 1.00 0.00 O1- ATOM 0 H GLU B 39 13.675 -0.216 23.057 1.00 0.00 H new ATOM 0 HA GLU B 39 12.583 0.491 25.623 1.00 0.00 H new ATOM 0 HB2 GLU B 39 15.273 0.861 24.247 1.00 0.00 H new ATOM 0 HB3 GLU B 39 14.944 1.536 25.831 1.00 0.00 H new ATOM 0 HG2 GLU B 39 14.427 -0.717 26.721 1.00 0.00 H new ATOM 0 HG3 GLU B 39 14.646 -1.421 25.132 1.00 0.00 H new ATOM 1669 N GLU B 40 12.263 2.959 25.583 1.00 0.00 N ATOM 1670 CA GLU B 40 11.943 4.392 25.599 1.00 0.00 C ATOM 1671 C GLU B 40 12.978 5.218 26.379 1.00 0.00 C ATOM 1672 O GLU B 40 13.553 4.766 27.375 1.00 0.00 O ATOM 1673 CB GLU B 40 10.537 4.640 26.171 1.00 0.00 C ATOM 1674 CG GLU B 40 9.425 4.143 25.235 1.00 0.00 C ATOM 1675 CD GLU B 40 8.033 4.542 25.748 1.00 0.00 C ATOM 1676 OE1 GLU B 40 7.812 5.737 26.076 1.00 0.00 O ATOM 1677 OE2 GLU B 40 7.122 3.676 25.799 1.00 0.00 O1- ATOM 0 H GLU B 40 12.025 2.487 26.455 1.00 0.00 H new ATOM 0 HA GLU B 40 11.970 4.723 24.561 1.00 0.00 H new ATOM 0 HB2 GLU B 40 10.447 4.139 27.135 1.00 0.00 H new ATOM 0 HB3 GLU B 40 10.405 5.707 26.352 1.00 0.00 H new ATOM 0 HG2 GLU B 40 9.577 4.555 24.237 1.00 0.00 H new ATOM 0 HG3 GLU B 40 9.483 3.058 25.144 1.00 0.00 H new ATOM 1684 N HIS B 41 13.156 6.468 25.947 1.00 0.00 N ATOM 1685 CA HIS B 41 14.024 7.486 26.553 1.00 0.00 C ATOM 1686 C HIS B 41 13.290 8.831 26.586 1.00 0.00 C ATOM 1687 O HIS B 41 12.476 9.104 25.694 1.00 0.00 O ATOM 1688 CB HIS B 41 15.342 7.586 25.760 1.00 0.00 C ATOM 1689 CG HIS B 41 16.041 6.266 25.531 1.00 0.00 C ATOM 1690 ND1 HIS B 41 16.934 5.640 26.408 1.00 0.00 N ATOM 1691 CD2 HIS B 41 15.862 5.464 24.440 1.00 0.00 C ATOM 1692 CE1 HIS B 41 17.263 4.471 25.826 1.00 0.00 C ATOM 1693 NE2 HIS B 41 16.633 4.339 24.647 1.00 0.00 N ATOM 0 H HIS B 41 12.673 6.819 25.120 1.00 0.00 H new ATOM 0 HA HIS B 41 14.267 7.204 27.577 1.00 0.00 H new ATOM 0 HB2 HIS B 41 15.135 8.045 24.793 1.00 0.00 H new ATOM 0 HB3 HIS B 41 16.020 8.254 26.291 1.00 0.00 H new ATOM 0 HD2 HIS B 41 15.239 5.670 23.583 1.00 0.00 H new ATOM 0 HE1 HIS B 41 17.939 3.742 26.248 1.00 0.00 H new ATOM 0 HE2 HIS B 41 16.711 3.543 24.013 1.00 0.00 H new ATOM 1701 N ALA B 42 13.571 9.678 27.581 1.00 0.00 N ATOM 1702 CA ALA B 42 12.933 10.990 27.746 1.00 0.00 C ATOM 1703 C ALA B 42 13.917 12.081 28.194 1.00 0.00 C ATOM 1704 O ALA B 42 14.792 11.845 29.033 1.00 0.00 O ATOM 1705 CB ALA B 42 11.754 10.864 28.721 1.00 0.00 C ATOM 0 H ALA B 42 14.258 9.469 28.306 1.00 0.00 H new ATOM 0 HA ALA B 42 12.565 11.308 26.770 1.00 0.00 H new ATOM 0 HB1 ALA B 42 11.279 11.837 28.845 1.00 0.00 H new ATOM 0 HB2 ALA B 42 11.028 10.154 28.325 1.00 0.00 H new ATOM 0 HB3 ALA B 42 12.116 10.512 29.687 1.00 0.00 H new ATOM 1711 N PHE B 43 13.741 13.286 27.642 1.00 0.00 N ATOM 1712 CA PHE B 43 14.662 14.420 27.761 1.00 0.00 C ATOM 1713 C PHE B 43 13.889 15.728 28.030 1.00 0.00 C ATOM 1714 O PHE B 43 13.478 16.407 27.080 1.00 0.00 O ATOM 1715 CB PHE B 43 15.532 14.485 26.494 1.00 0.00 C ATOM 1716 CG PHE B 43 16.270 13.195 26.192 1.00 0.00 C ATOM 1717 CD1 PHE B 43 17.418 12.859 26.931 1.00 0.00 C ATOM 1718 CD2 PHE B 43 15.772 12.302 25.223 1.00 0.00 C ATOM 1719 CE1 PHE B 43 18.060 11.625 26.719 1.00 0.00 C ATOM 1720 CE2 PHE B 43 16.416 11.072 25.008 1.00 0.00 C ATOM 1721 CZ PHE B 43 17.548 10.725 25.765 1.00 0.00 C ATOM 0 H PHE B 43 12.920 13.506 27.078 1.00 0.00 H new ATOM 0 HA PHE B 43 15.323 14.284 28.617 1.00 0.00 H new ATOM 0 HB2 PHE B 43 14.900 14.739 25.643 1.00 0.00 H new ATOM 0 HB3 PHE B 43 16.258 15.291 26.604 1.00 0.00 H new ATOM 0 HD1 PHE B 43 17.808 13.550 27.664 1.00 0.00 H new ATOM 0 HD2 PHE B 43 14.897 12.562 24.646 1.00 0.00 H new ATOM 0 HE1 PHE B 43 18.943 11.369 27.286 1.00 0.00 H new ATOM 0 HE2 PHE B 43 16.040 10.391 24.259 1.00 0.00 H new ATOM 0 HZ PHE B 43 18.025 9.768 25.615 1.00 0.00 H new ATOM 1731 N PRO B 44 13.608 16.068 29.303 1.00 0.00 N ATOM 1732 CA PRO B 44 12.841 17.262 29.659 1.00 0.00 C ATOM 1733 C PRO B 44 13.566 18.567 29.309 1.00 0.00 C ATOM 1734 O PRO B 44 14.795 18.669 29.380 1.00 0.00 O ATOM 1735 CB PRO B 44 12.539 17.133 31.158 1.00 0.00 C ATOM 1736 CG PRO B 44 13.644 16.220 31.682 1.00 0.00 C ATOM 1737 CD PRO B 44 13.940 15.303 30.498 1.00 0.00 C ATOM 0 HA PRO B 44 11.921 17.318 29.078 1.00 0.00 H new ATOM 0 HB2 PRO B 44 12.556 18.104 31.653 1.00 0.00 H new ATOM 0 HB3 PRO B 44 11.552 16.704 31.331 1.00 0.00 H new ATOM 0 HG2 PRO B 44 14.526 16.787 31.980 1.00 0.00 H new ATOM 0 HG3 PRO B 44 13.318 15.655 32.555 1.00 0.00 H new ATOM 0 HD2 PRO B 44 14.988 15.002 30.490 1.00 0.00 H new ATOM 0 HD3 PRO B 44 13.347 14.390 30.554 1.00 0.00 H new ATOM 1745 N GLY B 45 12.785 19.577 28.920 1.00 0.00 N ATOM 1746 CA GLY B 45 13.270 20.894 28.487 1.00 0.00 C ATOM 1747 C GLY B 45 13.667 20.993 27.005 1.00 0.00 C ATOM 1748 O GLY B 45 14.062 22.070 26.557 1.00 0.00 O ATOM 0 H GLY B 45 11.768 19.501 28.896 1.00 0.00 H new ATOM 0 HA2 GLY B 45 12.494 21.633 28.689 1.00 0.00 H new ATOM 0 HA3 GLY B 45 14.133 21.163 29.096 1.00 0.00 H new ATOM 1752 N LEU B 46 13.559 19.903 26.235 1.00 0.00 N ATOM 1753 CA LEU B 46 13.827 19.869 24.788 1.00 0.00 C ATOM 1754 C LEU B 46 12.551 19.906 23.925 1.00 0.00 C ATOM 1755 O LEU B 46 11.456 19.552 24.373 1.00 0.00 O ATOM 1756 CB LEU B 46 14.691 18.646 24.420 1.00 0.00 C ATOM 1757 CG LEU B 46 16.067 18.557 25.108 1.00 0.00 C ATOM 1758 CD1 LEU B 46 16.843 17.370 24.535 1.00 0.00 C ATOM 1759 CD2 LEU B 46 16.940 19.797 24.894 1.00 0.00 C ATOM 0 H LEU B 46 13.276 18.997 26.608 1.00 0.00 H new ATOM 0 HA LEU B 46 14.378 20.782 24.562 1.00 0.00 H new ATOM 0 HB2 LEU B 46 14.128 17.744 24.660 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.846 18.648 23.341 1.00 0.00 H new ATOM 0 HG LEU B 46 15.862 18.456 26.174 1.00 0.00 H new ATOM 0 HD11 LEU B 46 17.817 17.304 25.020 1.00 0.00 H new ATOM 0 HD12 LEU B 46 16.286 16.450 24.714 1.00 0.00 H new ATOM 0 HD13 LEU B 46 16.980 17.508 23.463 1.00 0.00 H new ATOM 0 HD21 LEU B 46 17.893 19.664 25.406 1.00 0.00 H new ATOM 0 HD22 LEU B 46 17.118 19.937 23.828 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.432 20.674 25.295 1.00 0.00 H new ATOM 1771 N ALA B 47 12.742 20.268 22.658 1.00 0.00 N ATOM 1772 CA ALA B 47 11.831 20.092 21.523 1.00 0.00 C ATOM 1773 C ALA B 47 12.625 19.697 20.255 1.00 0.00 C ATOM 1774 O ALA B 47 13.849 19.853 20.196 1.00 0.00 O ATOM 1775 CB ALA B 47 11.020 21.379 21.315 1.00 0.00 C ATOM 0 H ALA B 47 13.606 20.729 22.373 1.00 0.00 H new ATOM 0 HA ALA B 47 11.132 19.282 21.731 1.00 0.00 H new ATOM 0 HB1 ALA B 47 10.342 21.250 20.471 1.00 0.00 H new ATOM 0 HB2 ALA B 47 10.443 21.595 22.214 1.00 0.00 H new ATOM 0 HB3 ALA B 47 11.698 22.208 21.112 1.00 0.00 H new ATOM 1781 N ILE B 48 11.944 19.187 19.222 1.00 0.00 N ATOM 1782 CA ILE B 48 12.579 18.837 17.941 1.00 0.00 C ATOM 1783 C ILE B 48 12.933 20.122 17.181 1.00 0.00 C ATOM 1784 O ILE B 48 12.057 20.944 16.898 1.00 0.00 O ATOM 1785 CB ILE B 48 11.678 17.893 17.114 1.00 0.00 C ATOM 1786 CG1 ILE B 48 11.374 16.565 17.853 1.00 0.00 C ATOM 1787 CG2 ILE B 48 12.332 17.585 15.750 1.00 0.00 C ATOM 1788 CD1 ILE B 48 10.045 15.940 17.403 1.00 0.00 C ATOM 0 H ILE B 48 10.941 19.005 19.248 1.00 0.00 H new ATOM 0 HA ILE B 48 13.503 18.290 18.130 1.00 0.00 H new ATOM 0 HB ILE B 48 10.732 18.413 16.964 1.00 0.00 H new ATOM 0 HG12 ILE B 48 12.184 15.858 17.674 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.342 16.748 18.927 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.686 16.919 15.179 1.00 0.00 H new ATOM 0 HG22 ILE B 48 12.475 18.513 15.197 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.297 17.105 15.910 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.876 15.012 17.949 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.229 16.634 17.606 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.085 15.730 16.334 1.00 0.00 H new ATOM 1800 N GLY B 49 14.216 20.303 16.862 1.00 0.00 N ATOM 1801 CA GLY B 49 14.752 21.500 16.206 1.00 0.00 C ATOM 1802 C GLY B 49 14.890 21.369 14.688 1.00 0.00 C ATOM 1803 O GLY B 49 14.501 22.277 13.955 1.00 0.00 O ATOM 0 H GLY B 49 14.931 19.603 17.058 1.00 0.00 H new ATOM 0 HA2 GLY B 49 14.102 22.346 16.430 1.00 0.00 H new ATOM 0 HA3 GLY B 49 15.730 21.728 16.631 1.00 0.00 H new ATOM 1807 N ARG B 50 15.426 20.242 14.212 1.00 0.00 N ATOM 1808 CA ARG B 50 15.676 19.972 12.783 1.00 0.00 C ATOM 1809 C ARG B 50 15.582 18.479 12.467 1.00 0.00 C ATOM 1810 O ARG B 50 15.975 17.647 13.280 1.00 0.00 O ATOM 1811 CB ARG B 50 17.036 20.585 12.387 1.00 0.00 C ATOM 1812 CG ARG B 50 17.461 20.314 10.938 1.00 0.00 C ATOM 1813 CD ARG B 50 18.707 21.127 10.576 1.00 0.00 C ATOM 1814 NE ARG B 50 19.145 20.857 9.193 1.00 0.00 N ATOM 1815 CZ ARG B 50 19.919 19.871 8.778 1.00 0.00 C ATOM 1816 NH1 ARG B 50 20.484 19.024 9.591 1.00 0.00 N1+ ATOM 1817 NH2 ARG B 50 20.121 19.678 7.510 1.00 0.00 N ATOM 0 H ARG B 50 15.706 19.471 14.818 1.00 0.00 H new ATOM 0 HA ARG B 50 14.900 20.445 12.180 1.00 0.00 H new ATOM 0 HB2 ARG B 50 16.993 21.663 12.544 1.00 0.00 H new ATOM 0 HB3 ARG B 50 17.804 20.196 13.056 1.00 0.00 H new ATOM 0 HG2 ARG B 50 17.664 19.251 10.806 1.00 0.00 H new ATOM 0 HG3 ARG B 50 16.645 20.569 10.261 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.495 22.190 10.691 1.00 0.00 H new ATOM 0 HD3 ARG B 50 19.514 20.886 11.268 1.00 0.00 H new ATOM 0 HE ARG B 50 18.813 21.504 8.478 1.00 0.00 H new ATOM 0 HH11 ARG B 50 20.336 19.106 10.597 1.00 0.00 H new ATOM 0 HH12 ARG B 50 21.074 18.278 9.222 1.00 0.00 H new ATOM 0 HH21 ARG B 50 19.680 20.291 6.824 1.00 0.00 H new ATOM 0 HH22 ARG B 50 20.721 18.913 7.200 1.00 0.00 H new ATOM 1831 N VAL B 51 15.082 18.157 11.276 1.00 0.00 N ATOM 1832 CA VAL B 51 14.916 16.804 10.737 1.00 0.00 C ATOM 1833 C VAL B 51 15.485 16.780 9.316 1.00 0.00 C ATOM 1834 O VAL B 51 15.054 17.555 8.463 1.00 0.00 O ATOM 1835 CB VAL B 51 13.427 16.384 10.755 1.00 0.00 C ATOM 1836 CG1 VAL B 51 13.271 14.921 10.332 1.00 0.00 C ATOM 1837 CG2 VAL B 51 12.780 16.538 12.138 1.00 0.00 C ATOM 0 H VAL B 51 14.763 18.872 10.622 1.00 0.00 H new ATOM 0 HA VAL B 51 15.455 16.087 11.356 1.00 0.00 H new ATOM 0 HB VAL B 51 12.925 17.051 10.054 1.00 0.00 H new ATOM 0 HG11 VAL B 51 12.216 14.647 10.352 1.00 0.00 H new ATOM 0 HG12 VAL B 51 13.661 14.791 9.323 1.00 0.00 H new ATOM 0 HG13 VAL B 51 13.825 14.282 11.020 1.00 0.00 H new ATOM 0 HG21 VAL B 51 11.736 16.228 12.088 1.00 0.00 H new ATOM 0 HG22 VAL B 51 13.309 15.915 12.859 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.834 17.581 12.451 1.00 0.00 H new ATOM 1847 N ASP B 52 16.480 15.922 9.070 1.00 0.00 N ATOM 1848 CA ASP B 52 17.261 15.863 7.830 1.00 0.00 C ATOM 1849 C ASP B 52 17.088 14.495 7.148 1.00 0.00 C ATOM 1850 O ASP B 52 17.689 13.489 7.540 1.00 0.00 O ATOM 1851 CB ASP B 52 18.728 16.185 8.154 1.00 0.00 C ATOM 1852 CG ASP B 52 19.629 16.370 6.924 1.00 0.00 C ATOM 1853 OD1 ASP B 52 20.713 16.977 7.093 1.00 0.00 O ATOM 1854 OD2 ASP B 52 19.243 16.003 5.788 1.00 0.00 O1- ATOM 0 H ASP B 52 16.774 15.224 9.753 1.00 0.00 H new ATOM 0 HA ASP B 52 16.901 16.606 7.118 1.00 0.00 H new ATOM 0 HB2 ASP B 52 18.763 17.095 8.753 1.00 0.00 H new ATOM 0 HB3 ASP B 52 19.135 15.382 8.769 1.00 0.00 H new ATOM 1859 N LEU B 53 16.202 14.457 6.151 1.00 0.00 N ATOM 1860 CA LEU B 53 15.738 13.240 5.487 1.00 0.00 C ATOM 1861 C LEU B 53 16.696 12.736 4.397 1.00 0.00 C ATOM 1862 O LEU B 53 16.470 11.663 3.842 1.00 0.00 O ATOM 1863 CB LEU B 53 14.325 13.457 4.912 1.00 0.00 C ATOM 1864 CG LEU B 53 13.183 13.838 5.877 1.00 0.00 C ATOM 1865 CD1 LEU B 53 13.151 12.909 7.099 1.00 0.00 C ATOM 1866 CD2 LEU B 53 13.179 15.304 6.323 1.00 0.00 C ATOM 0 H LEU B 53 15.774 15.302 5.772 1.00 0.00 H new ATOM 0 HA LEU B 53 15.709 12.460 6.247 1.00 0.00 H new ATOM 0 HB2 LEU B 53 14.393 14.238 4.155 1.00 0.00 H new ATOM 0 HB3 LEU B 53 14.033 12.541 4.399 1.00 0.00 H new ATOM 0 HG LEU B 53 12.273 13.705 5.291 1.00 0.00 H new ATOM 0 HD11 LEU B 53 12.335 13.204 7.759 1.00 0.00 H new ATOM 0 HD12 LEU B 53 12.998 11.881 6.771 1.00 0.00 H new ATOM 0 HD13 LEU B 53 14.097 12.982 7.636 1.00 0.00 H new ATOM 0 HD21 LEU B 53 12.341 15.476 6.999 1.00 0.00 H new ATOM 0 HD22 LEU B 53 14.113 15.530 6.838 1.00 0.00 H new ATOM 0 HD23 LEU B 53 13.080 15.950 5.450 1.00 0.00 H new ATOM 1878 N ARG B 54 17.781 13.467 4.101 1.00 0.00 N ATOM 1879 CA ARG B 54 18.827 13.034 3.158 1.00 0.00 C ATOM 1880 C ARG B 54 19.577 11.795 3.676 1.00 0.00 C ATOM 1881 O ARG B 54 19.921 10.902 2.897 1.00 0.00 O ATOM 1882 CB ARG B 54 19.817 14.184 2.913 1.00 0.00 C ATOM 1883 CG ARG B 54 19.149 15.486 2.425 1.00 0.00 C ATOM 1884 CD ARG B 54 20.215 16.585 2.314 1.00 0.00 C ATOM 1885 NE ARG B 54 19.624 17.925 2.128 1.00 0.00 N ATOM 1886 CZ ARG B 54 19.222 18.734 3.094 1.00 0.00 C ATOM 1887 NH1 ARG B 54 19.155 18.383 4.340 1.00 0.00 N1+ ATOM 1888 NH2 ARG B 54 18.866 19.960 2.858 1.00 0.00 N ATOM 0 H ARG B 54 17.960 14.383 4.512 1.00 0.00 H new ATOM 0 HA ARG B 54 18.343 12.763 2.220 1.00 0.00 H new ATOM 0 HB2 ARG B 54 20.358 14.388 3.837 1.00 0.00 H new ATOM 0 HB3 ARG B 54 20.554 13.866 2.175 1.00 0.00 H new ATOM 0 HG2 ARG B 54 18.673 15.325 1.458 1.00 0.00 H new ATOM 0 HG3 ARG B 54 18.366 15.790 3.119 1.00 0.00 H new ATOM 0 HD2 ARG B 54 20.830 16.584 3.214 1.00 0.00 H new ATOM 0 HD3 ARG B 54 20.876 16.363 1.476 1.00 0.00 H new ATOM 0 HE ARG B 54 19.516 18.256 1.169 1.00 0.00 H new ATOM 0 HH11 ARG B 54 19.420 17.438 4.619 1.00 0.00 H new ATOM 0 HH12 ARG B 54 18.837 19.051 5.042 1.00 0.00 H new ATOM 0 HH21 ARG B 54 18.892 20.324 1.906 1.00 0.00 H new ATOM 0 HH22 ARG B 54 18.561 20.559 3.625 1.00 0.00 H new ATOM 1902 N SER B 55 19.788 11.733 4.995 1.00 0.00 N ATOM 1903 CA SER B 55 20.562 10.681 5.682 1.00 0.00 C ATOM 1904 C SER B 55 19.896 10.126 6.953 1.00 0.00 C ATOM 1905 O SER B 55 20.415 9.171 7.535 1.00 0.00 O ATOM 1906 CB SER B 55 21.958 11.233 6.034 1.00 0.00 C ATOM 1907 OG SER B 55 22.640 11.709 4.880 1.00 0.00 O ATOM 0 H SER B 55 19.416 12.432 5.638 1.00 0.00 H new ATOM 0 HA SER B 55 20.623 9.843 4.987 1.00 0.00 H new ATOM 0 HB2 SER B 55 21.858 12.042 6.758 1.00 0.00 H new ATOM 0 HB3 SER B 55 22.550 10.451 6.510 1.00 0.00 H new ATOM 0 HG SER B 55 23.520 12.053 5.139 1.00 0.00 H new ATOM 1913 N GLY B 56 18.765 10.687 7.400 1.00 0.00 N ATOM 1914 CA GLY B 56 18.053 10.249 8.607 1.00 0.00 C ATOM 1915 C GLY B 56 18.716 10.740 9.899 1.00 0.00 C ATOM 1916 O GLY B 56 19.208 9.936 10.696 1.00 0.00 O ATOM 0 H GLY B 56 18.313 11.469 6.926 1.00 0.00 H new ATOM 0 HA2 GLY B 56 17.026 10.613 8.570 1.00 0.00 H new ATOM 0 HA3 GLY B 56 18.005 9.160 8.620 1.00 0.00 H new ATOM 1920 N VAL B 57 18.729 12.059 10.113 1.00 0.00 N ATOM 1921 CA VAL B 57 19.269 12.700 11.332 1.00 0.00 C ATOM 1922 C VAL B 57 18.255 13.674 11.940 1.00 0.00 C ATOM 1923 O VAL B 57 17.616 14.444 11.222 1.00 0.00 O ATOM 1924 CB VAL B 57 20.629 13.392 11.064 1.00 0.00 C ATOM 1925 CG1 VAL B 57 21.213 14.036 12.331 1.00 0.00 C ATOM 1926 CG2 VAL B 57 21.676 12.403 10.528 1.00 0.00 C ATOM 0 H VAL B 57 18.360 12.729 9.438 1.00 0.00 H new ATOM 0 HA VAL B 57 19.450 11.911 12.062 1.00 0.00 H new ATOM 0 HB VAL B 57 20.419 14.161 10.321 1.00 0.00 H new ATOM 0 HG11 VAL B 57 22.166 14.508 12.093 1.00 0.00 H new ATOM 0 HG12 VAL B 57 20.520 14.787 12.710 1.00 0.00 H new ATOM 0 HG13 VAL B 57 21.368 13.270 13.091 1.00 0.00 H new ATOM 0 HG21 VAL B 57 22.615 12.927 10.353 1.00 0.00 H new ATOM 0 HG22 VAL B 57 21.834 11.609 11.258 1.00 0.00 H new ATOM 0 HG23 VAL B 57 21.322 11.970 9.592 1.00 0.00 H new ATOM 1936 N ILE B 58 18.109 13.650 13.265 1.00 0.00 N ATOM 1937 CA ILE B 58 17.182 14.481 14.045 1.00 0.00 C ATOM 1938 C ILE B 58 17.968 15.262 15.101 1.00 0.00 C ATOM 1939 O ILE B 58 18.609 14.661 15.959 1.00 0.00 O ATOM 1940 CB ILE B 58 16.079 13.585 14.659 1.00 0.00 C ATOM 1941 CG1 ILE B 58 15.136 13.045 13.557 1.00 0.00 C ATOM 1942 CG2 ILE B 58 15.266 14.329 15.739 1.00 0.00 C ATOM 1943 CD1 ILE B 58 14.207 11.917 14.019 1.00 0.00 C ATOM 0 H ILE B 58 18.657 13.023 13.854 1.00 0.00 H new ATOM 0 HA ILE B 58 16.685 15.211 13.406 1.00 0.00 H new ATOM 0 HB ILE B 58 16.579 12.745 15.141 1.00 0.00 H new ATOM 0 HG12 ILE B 58 14.529 13.868 13.179 1.00 0.00 H new ATOM 0 HG13 ILE B 58 15.739 12.685 12.724 1.00 0.00 H new ATOM 0 HG21 ILE B 58 14.503 13.663 16.143 1.00 0.00 H new ATOM 0 HG22 ILE B 58 15.932 14.647 16.541 1.00 0.00 H new ATOM 0 HG23 ILE B 58 14.788 15.203 15.297 1.00 0.00 H new ATOM 0 HD11 ILE B 58 13.581 11.597 13.186 1.00 0.00 H new ATOM 0 HD12 ILE B 58 14.804 11.074 14.369 1.00 0.00 H new ATOM 0 HD13 ILE B 58 13.575 12.276 14.831 1.00 0.00 H new ATOM 1955 N SER B 59 17.915 16.593 15.061 1.00 0.00 N ATOM 1956 CA SER B 59 18.569 17.487 16.031 1.00 0.00 C ATOM 1957 C SER B 59 17.554 18.095 16.997 1.00 0.00 C ATOM 1958 O SER B 59 16.545 18.655 16.565 1.00 0.00 O ATOM 1959 CB SER B 59 19.316 18.619 15.313 1.00 0.00 C ATOM 1960 OG SER B 59 20.199 18.125 14.309 1.00 0.00 O ATOM 0 H SER B 59 17.404 17.098 14.337 1.00 0.00 H new ATOM 0 HA SER B 59 19.279 16.883 16.596 1.00 0.00 H new ATOM 0 HB2 SER B 59 18.595 19.298 14.859 1.00 0.00 H new ATOM 0 HB3 SER B 59 19.884 19.198 16.042 1.00 0.00 H new ATOM 0 HG SER B 59 20.654 18.877 13.875 1.00 0.00 H new ATOM 1966 N LEU B 60 17.819 18.017 18.302 1.00 0.00 N ATOM 1967 CA LEU B 60 16.981 18.610 19.354 1.00 0.00 C ATOM 1968 C LEU B 60 17.539 19.958 19.841 1.00 0.00 C ATOM 1969 O LEU B 60 18.750 20.209 19.786 1.00 0.00 O ATOM 1970 CB LEU B 60 16.812 17.630 20.529 1.00 0.00 C ATOM 1971 CG LEU B 60 16.382 16.200 20.144 1.00 0.00 C ATOM 1972 CD1 LEU B 60 16.103 15.413 21.426 1.00 0.00 C ATOM 1973 CD2 LEU B 60 15.121 16.155 19.277 1.00 0.00 C ATOM 0 H LEU B 60 18.638 17.531 18.668 1.00 0.00 H new ATOM 0 HA LEU B 60 16.000 18.805 18.920 1.00 0.00 H new ATOM 0 HB2 LEU B 60 17.756 17.573 21.071 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.073 18.040 21.218 1.00 0.00 H new ATOM 0 HG LEU B 60 17.196 15.771 19.560 1.00 0.00 H new ATOM 0 HD11 LEU B 60 15.797 14.398 21.171 1.00 0.00 H new ATOM 0 HD12 LEU B 60 17.006 15.378 22.035 1.00 0.00 H new ATOM 0 HD13 LEU B 60 15.306 15.902 21.987 1.00 0.00 H new ATOM 0 HD21 LEU B 60 14.876 15.119 19.044 1.00 0.00 H new ATOM 0 HD22 LEU B 60 14.291 16.611 19.817 1.00 0.00 H new ATOM 0 HD23 LEU B 60 15.296 16.703 18.351 1.00 0.00 H new ATOM 1985 N ILE B 61 16.646 20.816 20.335 1.00 0.00 N ATOM 1986 CA ILE B 61 16.917 22.167 20.856 1.00 0.00 C ATOM 1987 C ILE B 61 16.137 22.428 22.150 1.00 0.00 C ATOM 1988 O ILE B 61 15.148 21.754 22.426 1.00 0.00 O ATOM 1989 CB ILE B 61 16.642 23.256 19.784 1.00 0.00 C ATOM 1990 CG1 ILE B 61 15.213 23.264 19.177 1.00 0.00 C ATOM 1991 CG2 ILE B 61 17.669 23.142 18.648 1.00 0.00 C ATOM 1992 CD1 ILE B 61 14.157 24.003 20.005 1.00 0.00 C ATOM 0 H ILE B 61 15.655 20.578 20.388 1.00 0.00 H new ATOM 0 HA ILE B 61 17.978 22.222 21.100 1.00 0.00 H new ATOM 0 HB ILE B 61 16.733 24.199 20.323 1.00 0.00 H new ATOM 0 HG12 ILE B 61 15.259 23.718 18.187 1.00 0.00 H new ATOM 0 HG13 ILE B 61 14.888 22.233 19.040 1.00 0.00 H new ATOM 0 HG21 ILE B 61 17.470 23.909 17.899 1.00 0.00 H new ATOM 0 HG22 ILE B 61 18.673 23.279 19.050 1.00 0.00 H new ATOM 0 HG23 ILE B 61 17.594 22.157 18.187 1.00 0.00 H new ATOM 0 HD11 ILE B 61 13.194 23.951 19.497 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.074 23.538 20.987 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.450 25.046 20.121 1.00 0.00 H new ATOM 2004 N GLU B 62 16.573 23.390 22.963 1.00 0.00 N ATOM 2005 CA GLU B 62 15.862 23.813 24.180 1.00 0.00 C ATOM 2006 C GLU B 62 14.512 24.473 23.856 1.00 0.00 C ATOM 2007 O GLU B 62 14.438 25.392 23.036 1.00 0.00 O ATOM 2008 CB GLU B 62 16.731 24.772 25.013 1.00 0.00 C ATOM 2009 CG GLU B 62 18.081 24.181 25.462 1.00 0.00 C ATOM 2010 CD GLU B 62 19.266 24.503 24.522 1.00 0.00 C ATOM 2011 OE1 GLU B 62 20.407 24.654 25.027 1.00 0.00 O ATOM 2012 OE2 GLU B 62 19.091 24.602 23.284 1.00 0.00 O1- ATOM 0 H GLU B 62 17.438 23.906 22.798 1.00 0.00 H new ATOM 0 HA GLU B 62 15.663 22.914 24.763 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.919 25.673 24.429 1.00 0.00 H new ATOM 0 HB3 GLU B 62 16.170 25.077 25.896 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.313 24.554 26.459 1.00 0.00 H new ATOM 0 HG3 GLU B 62 17.981 23.099 25.542 1.00 0.00 H new ATOM 2019 N GLU B 63 13.430 24.027 24.507 1.00 0.00 N ATOM 2020 CA GLU B 63 12.061 24.491 24.226 1.00 0.00 C ATOM 2021 C GLU B 63 11.706 25.865 24.838 1.00 0.00 C ATOM 2022 O GLU B 63 10.648 26.421 24.534 1.00 0.00 O ATOM 2023 CB GLU B 63 11.048 23.409 24.634 1.00 0.00 C ATOM 2024 CG GLU B 63 10.917 23.135 26.144 1.00 0.00 C ATOM 2025 CD GLU B 63 9.475 23.247 26.675 1.00 0.00 C ATOM 2026 OE1 GLU B 63 8.522 22.776 26.005 1.00 0.00 O ATOM 2027 OE2 GLU B 63 9.285 23.780 27.795 1.00 0.00 O1- ATOM 0 H GLU B 63 13.478 23.329 25.249 1.00 0.00 H new ATOM 0 HA GLU B 63 12.009 24.655 23.150 1.00 0.00 H new ATOM 0 HB2 GLU B 63 10.068 23.695 24.251 1.00 0.00 H new ATOM 0 HB3 GLU B 63 11.324 22.478 24.139 1.00 0.00 H new ATOM 0 HG2 GLU B 63 11.295 22.135 26.356 1.00 0.00 H new ATOM 0 HG3 GLU B 63 11.550 23.837 26.687 1.00 0.00 H new