USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=13 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+ -174:sc= 1.26 (180deg=1.23) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -60:sc= 0.333 USER MOD Single : A 41 HIS : no HD1:sc=-0.00668 X(o=-0.0067,f=-0.0067) 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 141:sc= -0.207 (180deg=-3.44) USER MOD Single : B 5 LYS NZ :NH3+ -166:sc= 1.24 (180deg=1.18) USER MOD Single : B 9 THR OG1 : rot 170:sc= 0.726 USER MOD Single : B 10 LYS NZ :NH3+ 164:sc= 1.03 (180deg=0.801) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot -64:sc= 0.346 USER MOD Single : B 41 HIS : no HD1:sc= -0.0285 X(o=-0.029,f=-0.029) 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 10.921 12.186 3.758 1.00 0.00 N ATOM 88 CA ALA A 4 9.767 12.256 4.652 1.00 0.00 C ATOM 89 C ALA A 4 8.570 12.984 4.018 1.00 0.00 C ATOM 90 O ALA A 4 8.703 13.687 3.008 1.00 0.00 O ATOM 91 CB ALA A 4 10.204 12.945 5.951 1.00 0.00 C ATOM 0 HA ALA A 4 9.424 11.242 4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.356 13.007 6.633 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.003 12.369 6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.564 13.949 5.727 1.00 0.00 H new ATOM 97 N LYS A 5 7.407 12.868 4.673 1.00 0.00 N ATOM 98 CA LYS A 5 6.244 13.742 4.464 1.00 0.00 C ATOM 99 C LYS A 5 5.902 14.525 5.734 1.00 0.00 C ATOM 100 O LYS A 5 5.855 13.953 6.822 1.00 0.00 O ATOM 101 CB LYS A 5 5.046 12.961 3.888 1.00 0.00 C ATOM 102 CG LYS A 5 4.527 11.820 4.779 1.00 0.00 C ATOM 103 CD LYS A 5 3.312 11.098 4.173 1.00 0.00 C ATOM 104 CE LYS A 5 2.057 11.981 4.205 1.00 0.00 C ATOM 105 NZ LYS A 5 0.882 11.298 3.615 1.00 0.00 N1+ ATOM 0 H LYS A 5 7.245 12.149 5.378 1.00 0.00 H new ATOM 0 HA LYS A 5 6.507 14.484 3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.230 13.660 3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.332 12.546 2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.328 11.099 4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.256 12.222 5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.532 10.815 3.144 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.124 10.176 4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.835 12.258 5.236 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.250 12.905 3.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.084 11.963 3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.118 10.965 2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.618 10.486 4.209 1.00 0.00 H new ATOM 119 N VAL A 6 5.652 15.824 5.595 1.00 0.00 N ATOM 120 CA VAL A 6 5.244 16.726 6.687 1.00 0.00 C ATOM 121 C VAL A 6 3.726 16.942 6.645 1.00 0.00 C ATOM 122 O VAL A 6 3.146 17.055 5.559 1.00 0.00 O ATOM 123 CB VAL A 6 6.034 18.051 6.629 1.00 0.00 C ATOM 124 CG1 VAL A 6 5.562 19.069 7.674 1.00 0.00 C ATOM 125 CG2 VAL A 6 7.530 17.809 6.875 1.00 0.00 C ATOM 0 H VAL A 6 5.728 16.300 4.696 1.00 0.00 H new ATOM 0 HA VAL A 6 5.483 16.265 7.646 1.00 0.00 H new ATOM 0 HB VAL A 6 5.858 18.451 5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.153 19.981 7.586 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.510 19.301 7.507 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.687 18.650 8.672 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.064 18.758 6.829 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.669 17.362 7.859 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.920 17.136 6.112 1.00 0.00 H new ATOM 135 N VAL A 7 3.069 17.009 7.809 1.00 0.00 N ATOM 136 CA VAL A 7 1.608 17.158 7.945 1.00 0.00 C ATOM 137 C VAL A 7 1.220 18.086 9.106 1.00 0.00 C ATOM 138 O VAL A 7 1.844 18.066 10.171 1.00 0.00 O ATOM 139 CB VAL A 7 0.911 15.777 8.023 1.00 0.00 C ATOM 140 CG1 VAL A 7 1.370 14.928 9.216 1.00 0.00 C ATOM 141 CG2 VAL A 7 -0.617 15.894 8.096 1.00 0.00 C ATOM 0 H VAL A 7 3.548 16.960 8.708 1.00 0.00 H new ATOM 0 HA VAL A 7 1.244 17.649 7.043 1.00 0.00 H new ATOM 0 HB VAL A 7 1.206 15.282 7.098 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.842 13.975 9.209 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.443 14.749 9.144 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.152 15.457 10.144 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.056 14.898 8.149 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.896 16.461 8.984 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.986 16.406 7.207 1.00 0.00 H new ATOM 151 N LEU A 8 0.177 18.893 8.897 1.00 0.00 N ATOM 152 CA LEU A 8 -0.364 19.873 9.848 1.00 0.00 C ATOM 153 C LEU A 8 -1.875 20.100 9.661 1.00 0.00 C ATOM 154 O LEU A 8 -2.412 19.913 8.563 1.00 0.00 O ATOM 155 CB LEU A 8 0.427 21.191 9.712 1.00 0.00 C ATOM 156 CG LEU A 8 0.266 21.914 8.359 1.00 0.00 C ATOM 157 CD1 LEU A 8 -0.779 23.034 8.413 1.00 0.00 C ATOM 158 CD2 LEU A 8 1.582 22.541 7.908 1.00 0.00 C ATOM 0 H LEU A 8 -0.340 18.882 8.018 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.245 19.479 10.857 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.115 21.868 10.507 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.485 20.980 9.870 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.059 21.147 7.656 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.853 23.510 7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.747 22.615 8.687 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.481 23.774 9.155 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.437 23.043 6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.914 23.266 8.652 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.337 21.763 7.798 1.00 0.00 H new ATOM 266 N VAL A 16 -3.048 20.095 5.581 1.00 0.00 N ATOM 267 CA VAL A 16 -2.002 20.233 4.556 1.00 0.00 C ATOM 268 C VAL A 16 -0.975 19.110 4.706 1.00 0.00 C ATOM 269 O VAL A 16 -0.525 18.822 5.817 1.00 0.00 O ATOM 270 CB VAL A 16 -1.338 21.628 4.616 1.00 0.00 C ATOM 271 CG1 VAL A 16 -0.219 21.790 3.577 1.00 0.00 C ATOM 272 CG2 VAL A 16 -2.354 22.756 4.401 1.00 0.00 C ATOM 0 HA VAL A 16 -2.462 20.146 3.572 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.913 21.699 5.617 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.214 22.787 3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.554 21.042 3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.630 21.656 2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.845 23.719 4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.821 22.643 3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.119 22.709 5.176 1.00 0.00 H new ATOM 282 N GLU A 17 -0.608 18.475 3.589 1.00 0.00 N ATOM 283 CA GLU A 17 0.403 17.413 3.499 1.00 0.00 C ATOM 284 C GLU A 17 1.447 17.738 2.416 1.00 0.00 C ATOM 285 O GLU A 17 1.099 18.196 1.321 1.00 0.00 O ATOM 286 CB GLU A 17 -0.245 16.049 3.206 1.00 0.00 C ATOM 287 CG GLU A 17 -1.152 15.545 4.338 1.00 0.00 C ATOM 288 CD GLU A 17 -1.823 14.200 3.996 1.00 0.00 C ATOM 289 OE1 GLU A 17 -3.060 14.080 4.169 1.00 0.00 O ATOM 290 OE2 GLU A 17 -1.118 13.246 3.581 1.00 0.00 O1- ATOM 0 H GLU A 17 -1.024 18.695 2.684 1.00 0.00 H new ATOM 0 HA GLU A 17 0.903 17.358 4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.829 16.123 2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.540 15.314 3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.564 15.434 5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.921 16.290 4.544 1.00 0.00 H new ATOM 297 N ILE A 18 2.734 17.510 2.714 1.00 0.00 N ATOM 298 CA ILE A 18 3.873 17.863 1.844 1.00 0.00 C ATOM 299 C ILE A 18 4.835 16.674 1.772 1.00 0.00 C ATOM 300 O ILE A 18 5.494 16.366 2.762 1.00 0.00 O ATOM 301 CB ILE A 18 4.589 19.140 2.361 1.00 0.00 C ATOM 302 CG1 ILE A 18 3.611 20.327 2.545 1.00 0.00 C ATOM 303 CG2 ILE A 18 5.739 19.533 1.407 1.00 0.00 C ATOM 304 CD1 ILE A 18 4.238 21.537 3.242 1.00 0.00 C ATOM 0 H ILE A 18 3.022 17.065 3.585 1.00 0.00 H new ATOM 0 HA ILE A 18 3.509 18.084 0.841 1.00 0.00 H new ATOM 0 HB ILE A 18 5.000 18.906 3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.238 20.634 1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.750 19.991 3.123 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.232 20.430 1.782 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.461 18.718 1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.336 19.729 0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.494 22.328 3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.586 21.246 4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.081 21.899 2.654 1.00 0.00 H new ATOM 316 N GLY A 19 4.917 15.997 0.620 1.00 0.00 N ATOM 317 CA GLY A 19 5.851 14.885 0.376 1.00 0.00 C ATOM 318 C GLY A 19 7.224 15.338 -0.140 1.00 0.00 C ATOM 319 O GLY A 19 7.438 16.518 -0.419 1.00 0.00 O ATOM 0 H GLY A 19 4.327 16.209 -0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.986 14.326 1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.408 14.201 -0.348 1.00 0.00 H new ATOM 323 N ASP A 20 8.156 14.387 -0.292 1.00 0.00 N ATOM 324 CA ASP A 20 9.517 14.610 -0.833 1.00 0.00 C ATOM 325 C ASP A 20 10.330 15.683 -0.069 1.00 0.00 C ATOM 326 O ASP A 20 11.167 16.390 -0.642 1.00 0.00 O ATOM 327 CB ASP A 20 9.467 14.839 -2.359 1.00 0.00 C ATOM 328 CG ASP A 20 8.746 13.723 -3.136 1.00 0.00 C ATOM 329 OD1 ASP A 20 8.134 14.027 -4.189 1.00 0.00 O ATOM 330 OD2 ASP A 20 8.786 12.539 -2.720 1.00 0.00 O1- ATOM 0 H ASP A 20 7.986 13.414 -0.037 1.00 0.00 H new ATOM 0 HA ASP A 20 10.082 13.694 -0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.967 15.787 -2.558 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.486 14.930 -2.736 1.00 0.00 H new ATOM 335 N VAL A 21 10.060 15.828 1.238 1.00 0.00 N ATOM 336 CA VAL A 21 10.735 16.784 2.124 1.00 0.00 C ATOM 337 C VAL A 21 12.153 16.303 2.420 1.00 0.00 C ATOM 338 O VAL A 21 12.356 15.265 3.055 1.00 0.00 O ATOM 339 CB VAL A 21 9.925 17.026 3.414 1.00 0.00 C ATOM 340 CG1 VAL A 21 10.691 17.862 4.444 1.00 0.00 C ATOM 341 CG2 VAL A 21 8.632 17.772 3.069 1.00 0.00 C ATOM 0 H VAL A 21 9.351 15.272 1.716 1.00 0.00 H new ATOM 0 HA VAL A 21 10.802 17.746 1.617 1.00 0.00 H new ATOM 0 HB VAL A 21 9.722 16.047 3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.074 18.001 5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.611 17.346 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.934 18.834 4.015 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.057 17.944 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.876 18.729 2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.041 17.174 2.375 1.00 0.00 H new ATOM 351 N LEU A 22 13.133 17.069 1.942 1.00 0.00 N ATOM 352 CA LEU A 22 14.558 16.792 2.108 1.00 0.00 C ATOM 353 C LEU A 22 15.101 17.357 3.437 1.00 0.00 C ATOM 354 O LEU A 22 16.035 16.804 4.014 1.00 0.00 O ATOM 355 CB LEU A 22 15.276 17.371 0.871 1.00 0.00 C ATOM 356 CG LEU A 22 16.713 16.855 0.670 1.00 0.00 C ATOM 357 CD1 LEU A 22 16.761 15.357 0.348 1.00 0.00 C ATOM 358 CD2 LEU A 22 17.388 17.610 -0.470 1.00 0.00 C ATOM 0 H LEU A 22 12.952 17.923 1.414 1.00 0.00 H new ATOM 0 HA LEU A 22 14.740 15.719 2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 22 14.691 17.135 -0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 22 15.302 18.457 0.956 1.00 0.00 H new ATOM 0 HG LEU A 22 17.236 17.022 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 22 17.797 15.046 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 22 16.315 14.794 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 22 16.205 15.164 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 22 18.403 17.237 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.823 17.460 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 22 17.421 18.673 -0.233 1.00 0.00 H new ATOM 370 N GLU A 23 14.484 18.425 3.954 1.00 0.00 N ATOM 371 CA GLU A 23 14.829 19.064 5.235 1.00 0.00 C ATOM 372 C GLU A 23 13.640 19.833 5.847 1.00 0.00 C ATOM 373 O GLU A 23 12.809 20.396 5.132 1.00 0.00 O ATOM 374 CB GLU A 23 16.039 19.990 5.002 1.00 0.00 C ATOM 375 CG GLU A 23 16.472 20.809 6.229 1.00 0.00 C ATOM 376 CD GLU A 23 17.837 21.487 6.043 1.00 0.00 C ATOM 377 OE1 GLU A 23 18.460 21.387 4.962 1.00 0.00 O ATOM 378 OE2 GLU A 23 18.345 22.088 7.019 1.00 0.00 O1- ATOM 0 H GLU A 23 13.707 18.885 3.480 1.00 0.00 H new ATOM 0 HA GLU A 23 15.085 18.291 5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.883 19.385 4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.801 20.677 4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.719 21.570 6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.512 20.155 7.100 1.00 0.00 H new ATOM 385 N VAL A 24 13.570 19.904 7.181 1.00 0.00 N ATOM 386 CA VAL A 24 12.592 20.702 7.948 1.00 0.00 C ATOM 387 C VAL A 24 13.242 21.297 9.200 1.00 0.00 C ATOM 388 O VAL A 24 14.083 20.650 9.828 1.00 0.00 O ATOM 389 CB VAL A 24 11.327 19.877 8.271 1.00 0.00 C ATOM 390 CG1 VAL A 24 11.622 18.577 9.022 1.00 0.00 C ATOM 391 CG2 VAL A 24 10.285 20.653 9.089 1.00 0.00 C ATOM 0 H VAL A 24 14.214 19.391 7.783 1.00 0.00 H new ATOM 0 HA VAL A 24 12.266 21.538 7.329 1.00 0.00 H new ATOM 0 HB VAL A 24 10.924 19.647 7.285 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.688 18.049 9.216 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.276 17.948 8.418 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.112 18.807 9.968 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.423 20.014 9.280 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.724 20.963 10.037 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.967 21.534 8.531 1.00 0.00 H new ATOM 401 N ARG A 25 12.852 22.523 9.581 1.00 0.00 N ATOM 402 CA ARG A 25 13.363 23.274 10.741 1.00 0.00 C ATOM 403 C ARG A 25 12.229 23.915 11.540 1.00 0.00 C ATOM 404 O ARG A 25 11.267 24.429 10.962 1.00 0.00 O ATOM 405 CB ARG A 25 14.350 24.366 10.284 1.00 0.00 C ATOM 406 CG ARG A 25 15.577 23.831 9.530 1.00 0.00 C ATOM 407 CD ARG A 25 16.533 24.976 9.176 1.00 0.00 C ATOM 408 NE ARG A 25 17.632 24.505 8.315 1.00 0.00 N ATOM 409 CZ ARG A 25 18.685 25.187 7.910 1.00 0.00 C ATOM 410 NH1 ARG A 25 18.908 26.419 8.264 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 19.542 24.603 7.124 1.00 0.00 N ATOM 0 H ARG A 25 12.140 23.042 9.067 1.00 0.00 H new ATOM 0 HA ARG A 25 13.879 22.563 11.386 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.822 25.071 9.642 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.689 24.922 11.158 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.095 23.094 10.144 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.258 23.321 8.621 1.00 0.00 H new ATOM 0 HD2 ARG A 25 15.983 25.768 8.668 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.942 25.407 10.090 1.00 0.00 H new ATOM 0 HE ARG A 25 17.571 23.538 7.995 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.253 26.899 8.881 1.00 0.00 H new ATOM 0 HH12 ARG A 25 19.738 26.905 7.924 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.392 23.637 6.834 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.364 25.111 6.798 1.00 0.00 H new ATOM 425 N ALA A 26 12.386 23.954 12.860 1.00 0.00 N ATOM 426 CA ALA A 26 11.663 24.857 13.744 1.00 0.00 C ATOM 427 C ALA A 26 12.406 26.205 13.802 1.00 0.00 C ATOM 428 O ALA A 26 13.472 26.334 14.411 1.00 0.00 O ATOM 429 CB ALA A 26 11.500 24.188 15.116 1.00 0.00 C ATOM 0 H ALA A 26 13.036 23.343 13.355 1.00 0.00 H new ATOM 0 HA ALA A 26 10.660 25.065 13.371 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.959 24.857 15.785 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.942 23.259 15.004 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.483 23.972 15.535 1.00 0.00 H new ATOM 464 N ALA A 30 7.883 29.605 13.899 1.00 0.00 N ATOM 465 CA ALA A 30 7.321 28.929 12.728 1.00 0.00 C ATOM 466 C ALA A 30 7.969 27.557 12.490 1.00 0.00 C ATOM 467 O ALA A 30 9.085 27.301 12.943 1.00 0.00 O ATOM 468 CB ALA A 30 7.527 29.818 11.489 1.00 0.00 C ATOM 0 HA ALA A 30 6.259 28.764 12.909 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.111 29.322 10.612 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.023 30.773 11.639 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.593 29.990 11.338 1.00 0.00 H new ATOM 474 N VAL A 31 7.317 26.693 11.708 1.00 0.00 N ATOM 475 CA VAL A 31 8.004 25.582 11.012 1.00 0.00 C ATOM 476 C VAL A 31 8.287 25.977 9.565 1.00 0.00 C ATOM 477 O VAL A 31 7.488 26.677 8.942 1.00 0.00 O ATOM 478 CB VAL A 31 7.219 24.264 11.104 1.00 0.00 C ATOM 479 CG1 VAL A 31 7.848 23.128 10.279 1.00 0.00 C ATOM 480 CG2 VAL A 31 7.205 23.797 12.562 1.00 0.00 C ATOM 0 H VAL A 31 6.313 26.735 11.535 1.00 0.00 H new ATOM 0 HA VAL A 31 8.954 25.399 11.515 1.00 0.00 H new ATOM 0 HB VAL A 31 6.222 24.468 10.714 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.247 22.225 10.386 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.884 23.418 9.229 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.859 22.935 10.637 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.650 22.862 12.639 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.228 23.641 12.904 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.727 24.555 13.182 1.00 0.00 H new ATOM 490 N ARG A 32 9.411 25.511 9.018 1.00 0.00 N ATOM 491 CA ARG A 32 9.867 25.779 7.644 1.00 0.00 C ATOM 492 C ARG A 32 10.406 24.492 7.004 1.00 0.00 C ATOM 493 O ARG A 32 11.205 23.797 7.625 1.00 0.00 O ATOM 494 CB ARG A 32 10.904 26.911 7.711 1.00 0.00 C ATOM 495 CG ARG A 32 11.329 27.439 6.334 1.00 0.00 C ATOM 496 CD ARG A 32 12.297 28.606 6.530 1.00 0.00 C ATOM 497 NE ARG A 32 12.902 29.050 5.264 1.00 0.00 N ATOM 498 CZ ARG A 32 13.661 30.114 5.099 1.00 0.00 C ATOM 499 NH1 ARG A 32 13.956 30.938 6.066 1.00 0.00 N1+ ATOM 500 NH2 ARG A 32 14.148 30.343 3.916 1.00 0.00 N ATOM 0 H ARG A 32 10.056 24.914 9.535 1.00 0.00 H new ATOM 0 HA ARG A 32 9.047 26.104 7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.493 27.734 8.295 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.786 26.553 8.241 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.805 26.647 5.757 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.456 27.764 5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.768 29.441 6.989 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.085 28.309 7.222 1.00 0.00 H new ATOM 0 HE ARG A 32 12.716 28.481 4.438 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.594 30.773 7.005 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.549 31.748 5.883 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.939 29.707 3.147 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.739 31.159 3.757 1.00 0.00 H new ATOM 514 N VAL A 33 9.973 24.183 5.778 1.00 0.00 N ATOM 515 CA VAL A 33 10.339 22.958 5.038 1.00 0.00 C ATOM 516 C VAL A 33 11.059 23.277 3.728 1.00 0.00 C ATOM 517 O VAL A 33 10.822 24.322 3.118 1.00 0.00 O ATOM 518 CB VAL A 33 9.120 22.042 4.758 1.00 0.00 C ATOM 519 CG1 VAL A 33 8.439 21.569 6.043 1.00 0.00 C ATOM 520 CG2 VAL A 33 8.049 22.711 3.891 1.00 0.00 C ATOM 0 H VAL A 33 9.342 24.789 5.254 1.00 0.00 H new ATOM 0 HA VAL A 33 11.023 22.415 5.690 1.00 0.00 H new ATOM 0 HB VAL A 33 9.543 21.193 4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.592 20.931 5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.151 21.006 6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.088 22.433 6.608 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.224 22.017 3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.680 23.605 4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.480 22.988 2.929 1.00 0.00 H new ATOM 530 N THR A 34 11.912 22.354 3.277 1.00 0.00 N ATOM 531 CA THR A 34 12.615 22.393 1.988 1.00 0.00 C ATOM 532 C THR A 34 12.446 21.053 1.269 1.00 0.00 C ATOM 533 O THR A 34 12.821 20.001 1.792 1.00 0.00 O ATOM 534 CB THR A 34 14.111 22.717 2.182 1.00 0.00 C ATOM 535 OG1 THR A 34 14.288 23.934 2.876 1.00 0.00 O ATOM 536 CG2 THR A 34 14.857 22.850 0.850 1.00 0.00 C ATOM 0 H THR A 34 12.143 21.523 3.822 1.00 0.00 H new ATOM 0 HA THR A 34 12.180 23.185 1.378 1.00 0.00 H new ATOM 0 HB THR A 34 14.516 21.881 2.752 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.245 24.112 2.985 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.906 23.078 1.041 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.785 21.913 0.297 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.412 23.653 0.263 1.00 0.00 H new ATOM 544 N THR A 35 11.875 21.077 0.063 1.00 0.00 N ATOM 545 CA THR A 35 11.783 19.899 -0.815 1.00 0.00 C ATOM 546 C THR A 35 13.067 19.696 -1.629 1.00 0.00 C ATOM 547 O THR A 35 13.850 20.629 -1.835 1.00 0.00 O ATOM 548 CB THR A 35 10.593 19.992 -1.779 1.00 0.00 C ATOM 549 OG1 THR A 35 10.788 21.022 -2.718 1.00 0.00 O ATOM 550 CG2 THR A 35 9.254 20.212 -1.072 1.00 0.00 C ATOM 0 H THR A 35 11.460 21.918 -0.338 1.00 0.00 H new ATOM 0 HA THR A 35 11.637 19.044 -0.155 1.00 0.00 H new ATOM 0 HB THR A 35 10.547 19.025 -2.281 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.881 21.878 -2.250 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.456 20.268 -1.813 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.060 19.382 -0.393 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.290 21.143 -0.506 1.00 0.00 H new ATOM 558 N LEU A 36 13.271 18.485 -2.154 1.00 0.00 N ATOM 559 CA LEU A 36 14.356 18.194 -3.109 1.00 0.00 C ATOM 560 C LEU A 36 14.224 18.918 -4.471 1.00 0.00 C ATOM 561 O LEU A 36 15.173 18.926 -5.259 1.00 0.00 O ATOM 562 CB LEU A 36 14.508 16.669 -3.250 1.00 0.00 C ATOM 563 CG LEU A 36 13.279 15.916 -3.804 1.00 0.00 C ATOM 564 CD1 LEU A 36 13.252 15.837 -5.329 1.00 0.00 C ATOM 565 CD2 LEU A 36 13.322 14.489 -3.268 1.00 0.00 C ATOM 0 H LEU A 36 12.692 17.675 -1.932 1.00 0.00 H new ATOM 0 HA LEU A 36 15.276 18.609 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.358 16.467 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 36 14.752 16.256 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 36 12.393 16.465 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.362 15.295 -5.650 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.233 16.844 -5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 36 14.141 15.315 -5.682 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.463 13.933 -3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 36 14.241 14.004 -3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.292 14.508 -2.179 1.00 0.00 H new ATOM 577 N PHE A 37 13.075 19.546 -4.745 1.00 0.00 N ATOM 578 CA PHE A 37 12.858 20.430 -5.906 1.00 0.00 C ATOM 579 C PHE A 37 13.396 21.866 -5.687 1.00 0.00 C ATOM 580 O PHE A 37 13.208 22.730 -6.542 1.00 0.00 O ATOM 581 CB PHE A 37 11.361 20.446 -6.259 1.00 0.00 C ATOM 582 CG PHE A 37 10.734 19.068 -6.403 1.00 0.00 C ATOM 583 CD1 PHE A 37 9.858 18.578 -5.417 1.00 0.00 C ATOM 584 CD2 PHE A 37 11.047 18.269 -7.520 1.00 0.00 C ATOM 585 CE1 PHE A 37 9.303 17.293 -5.539 1.00 0.00 C ATOM 586 CE2 PHE A 37 10.476 16.990 -7.651 1.00 0.00 C ATOM 587 CZ PHE A 37 9.609 16.502 -6.658 1.00 0.00 C ATOM 0 H PHE A 37 12.248 19.454 -4.155 1.00 0.00 H new ATOM 0 HA PHE A 37 13.430 20.026 -6.741 1.00 0.00 H new ATOM 0 HB2 PHE A 37 10.824 20.997 -5.487 1.00 0.00 H new ATOM 0 HB3 PHE A 37 11.226 20.992 -7.193 1.00 0.00 H new ATOM 0 HD1 PHE A 37 9.611 19.192 -4.563 1.00 0.00 H new ATOM 0 HD2 PHE A 37 11.725 18.638 -8.275 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.642 16.914 -4.773 1.00 0.00 H new ATOM 0 HE2 PHE A 37 10.704 16.383 -8.515 1.00 0.00 H new ATOM 0 HZ PHE A 37 9.177 15.517 -6.756 1.00 0.00 H new ATOM 597 N ASP A 38 14.042 22.128 -4.547 1.00 0.00 N ATOM 598 CA ASP A 38 14.479 23.448 -4.046 1.00 0.00 C ATOM 599 C ASP A 38 13.326 24.438 -3.748 1.00 0.00 C ATOM 600 O ASP A 38 13.559 25.629 -3.507 1.00 0.00 O ATOM 601 CB ASP A 38 15.586 24.061 -4.928 1.00 0.00 C ATOM 602 CG ASP A 38 16.789 23.143 -5.213 1.00 0.00 C ATOM 603 OD1 ASP A 38 17.404 23.296 -6.295 1.00 0.00 O ATOM 604 OD2 ASP A 38 17.171 22.320 -4.348 1.00 0.00 O1- ATOM 0 H ASP A 38 14.293 21.379 -3.902 1.00 0.00 H new ATOM 0 HA ASP A 38 14.918 23.252 -3.068 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.145 24.359 -5.879 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.950 24.969 -4.446 1.00 0.00 H new ATOM 609 N GLU A 39 12.075 23.963 -3.737 1.00 0.00 N ATOM 610 CA GLU A 39 10.909 24.723 -3.278 1.00 0.00 C ATOM 611 C GLU A 39 10.778 24.669 -1.744 1.00 0.00 C ATOM 612 O GLU A 39 11.015 23.625 -1.123 1.00 0.00 O ATOM 613 CB GLU A 39 9.636 24.222 -3.992 1.00 0.00 C ATOM 614 CG GLU A 39 8.303 24.861 -3.561 1.00 0.00 C ATOM 615 CD GLU A 39 8.143 26.342 -3.970 1.00 0.00 C ATOM 616 OE1 GLU A 39 9.044 27.169 -3.691 1.00 0.00 O ATOM 617 OE2 GLU A 39 7.092 26.693 -4.561 1.00 0.00 O1- ATOM 0 H GLU A 39 11.842 23.022 -4.053 1.00 0.00 H new ATOM 0 HA GLU A 39 11.046 25.772 -3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.760 24.384 -5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.562 23.145 -3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.483 24.287 -3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.211 24.784 -2.478 1.00 0.00 H new ATOM 624 N GLU A 40 10.379 25.792 -1.139 1.00 0.00 N ATOM 625 CA GLU A 40 10.189 25.950 0.307 1.00 0.00 C ATOM 626 C GLU A 40 8.766 26.396 0.670 1.00 0.00 C ATOM 627 O GLU A 40 8.103 27.104 -0.096 1.00 0.00 O ATOM 628 CB GLU A 40 11.192 26.954 0.892 1.00 0.00 C ATOM 629 CG GLU A 40 12.653 26.491 0.803 1.00 0.00 C ATOM 630 CD GLU A 40 13.619 27.507 1.447 1.00 0.00 C ATOM 631 OE1 GLU A 40 14.750 27.688 0.927 1.00 0.00 O ATOM 632 OE2 GLU A 40 13.272 28.147 2.472 1.00 0.00 O1- ATOM 0 H GLU A 40 10.172 26.645 -1.659 1.00 0.00 H new ATOM 0 HA GLU A 40 10.359 24.964 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.089 27.904 0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.941 27.137 1.937 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.759 25.526 1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.924 26.345 -0.242 1.00 0.00 H new ATOM 639 N HIS A 41 8.331 26.033 1.882 1.00 0.00 N ATOM 640 CA HIS A 41 7.085 26.495 2.513 1.00 0.00 C ATOM 641 C HIS A 41 7.319 26.802 3.999 1.00 0.00 C ATOM 642 O HIS A 41 8.212 26.218 4.617 1.00 0.00 O ATOM 643 CB HIS A 41 5.953 25.463 2.338 1.00 0.00 C ATOM 644 CG HIS A 41 5.689 25.026 0.916 1.00 0.00 C ATOM 645 ND1 HIS A 41 4.938 25.732 -0.031 1.00 0.00 N ATOM 646 CD2 HIS A 41 6.161 23.883 0.337 1.00 0.00 C ATOM 647 CE1 HIS A 41 4.986 24.997 -1.161 1.00 0.00 C ATOM 648 NE2 HIS A 41 5.714 23.881 -0.965 1.00 0.00 N ATOM 0 H HIS A 41 8.854 25.387 2.473 1.00 0.00 H new ATOM 0 HA HIS A 41 6.774 27.413 2.014 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.193 24.581 2.933 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.034 25.883 2.747 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.769 23.126 0.810 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.508 25.266 -2.092 1.00 0.00 H new ATOM 0 HE2 HIS A 41 5.902 23.159 -1.661 1.00 0.00 H new ATOM 656 N ALA A 42 6.513 27.692 4.580 1.00 0.00 N ATOM 657 CA ALA A 42 6.630 28.109 5.978 1.00 0.00 C ATOM 658 C ALA A 42 5.246 28.299 6.639 1.00 0.00 C ATOM 659 O ALA A 42 4.282 28.745 6.002 1.00 0.00 O ATOM 660 CB ALA A 42 7.491 29.372 6.068 1.00 0.00 C ATOM 0 H ALA A 42 5.748 28.151 4.084 1.00 0.00 H new ATOM 0 HA ALA A 42 7.124 27.316 6.539 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.577 29.681 7.110 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.484 29.165 5.668 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.026 30.171 5.490 1.00 0.00 H new ATOM 666 N PHE A 43 5.168 27.966 7.930 1.00 0.00 N ATOM 667 CA PHE A 43 3.932 27.868 8.709 1.00 0.00 C ATOM 668 C PHE A 43 4.120 28.473 10.116 1.00 0.00 C ATOM 669 O PHE A 43 4.555 27.776 11.041 1.00 0.00 O ATOM 670 CB PHE A 43 3.487 26.394 8.754 1.00 0.00 C ATOM 671 CG PHE A 43 3.260 25.782 7.386 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.264 24.993 6.790 1.00 0.00 C ATOM 673 CD2 PHE A 43 2.070 26.052 6.686 1.00 0.00 C ATOM 674 CE1 PHE A 43 4.085 24.496 5.487 1.00 0.00 C ATOM 675 CE2 PHE A 43 1.889 25.550 5.382 1.00 0.00 C ATOM 676 CZ PHE A 43 2.897 24.779 4.783 1.00 0.00 C ATOM 0 H PHE A 43 5.997 27.749 8.483 1.00 0.00 H new ATOM 0 HA PHE A 43 3.142 28.449 8.232 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.243 25.812 9.281 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.566 26.320 9.332 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.170 24.770 7.334 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.295 26.645 7.149 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.857 23.898 5.026 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.976 25.758 4.844 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.762 24.402 3.780 1.00 0.00 H new ATOM 686 N PRO A 44 3.815 29.775 10.297 1.00 0.00 N ATOM 687 CA PRO A 44 3.889 30.451 11.592 1.00 0.00 C ATOM 688 C PRO A 44 2.963 29.845 12.653 1.00 0.00 C ATOM 689 O PRO A 44 1.867 29.364 12.354 1.00 0.00 O ATOM 690 CB PRO A 44 3.556 31.922 11.322 1.00 0.00 C ATOM 691 CG PRO A 44 3.931 32.104 9.854 1.00 0.00 C ATOM 692 CD PRO A 44 3.544 30.754 9.253 1.00 0.00 C ATOM 0 HA PRO A 44 4.887 30.334 12.015 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.501 32.134 11.497 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.127 32.589 11.968 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.384 32.927 9.393 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.993 32.317 9.728 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.493 30.739 8.964 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.125 30.542 8.355 1.00 0.00 H new ATOM 700 N GLY A 45 3.412 29.897 13.910 1.00 0.00 N ATOM 701 CA GLY A 45 2.679 29.405 15.082 1.00 0.00 C ATOM 702 C GLY A 45 2.810 27.894 15.328 1.00 0.00 C ATOM 703 O GLY A 45 2.185 27.374 16.258 1.00 0.00 O ATOM 0 H GLY A 45 4.321 30.294 14.148 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.033 29.936 15.965 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.624 29.651 14.964 1.00 0.00 H new ATOM 707 N LEU A 46 3.617 27.178 14.533 1.00 0.00 N ATOM 708 CA LEU A 46 3.890 25.749 14.685 1.00 0.00 C ATOM 709 C LEU A 46 5.316 25.458 15.202 1.00 0.00 C ATOM 710 O LEU A 46 6.223 26.284 15.100 1.00 0.00 O ATOM 711 CB LEU A 46 3.630 25.007 13.356 1.00 0.00 C ATOM 712 CG LEU A 46 2.217 25.143 12.756 1.00 0.00 C ATOM 713 CD1 LEU A 46 2.101 24.242 11.529 1.00 0.00 C ATOM 714 CD2 LEU A 46 1.113 24.731 13.735 1.00 0.00 C ATOM 0 H LEU A 46 4.111 27.593 13.743 1.00 0.00 H new ATOM 0 HA LEU A 46 3.204 25.377 15.446 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.349 25.365 12.619 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.834 23.948 13.512 1.00 0.00 H new ATOM 0 HG LEU A 46 2.083 26.196 12.506 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.103 24.336 11.102 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.842 24.540 10.787 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.275 23.206 11.820 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.140 24.848 13.257 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.253 23.689 14.023 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.159 25.362 14.622 1.00 0.00 H new ATOM 726 N ALA A 47 5.502 24.230 15.687 1.00 0.00 N ATOM 727 CA ALA A 47 6.775 23.568 15.979 1.00 0.00 C ATOM 728 C ALA A 47 6.724 22.087 15.532 1.00 0.00 C ATOM 729 O ALA A 47 5.642 21.518 15.362 1.00 0.00 O ATOM 730 CB ALA A 47 7.084 23.728 17.474 1.00 0.00 C ATOM 0 H ALA A 47 4.708 23.627 15.902 1.00 0.00 H new ATOM 0 HA ALA A 47 7.586 24.031 15.417 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.030 23.239 17.704 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.154 24.788 17.720 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.287 23.271 18.061 1.00 0.00 H new ATOM 736 N ILE A 48 7.886 21.450 15.342 1.00 0.00 N ATOM 737 CA ILE A 48 7.962 20.012 15.023 1.00 0.00 C ATOM 738 C ILE A 48 7.507 19.201 16.248 1.00 0.00 C ATOM 739 O ILE A 48 8.112 19.299 17.322 1.00 0.00 O ATOM 740 CB ILE A 48 9.375 19.597 14.540 1.00 0.00 C ATOM 741 CG1 ILE A 48 9.863 20.386 13.295 1.00 0.00 C ATOM 742 CG2 ILE A 48 9.379 18.091 14.215 1.00 0.00 C ATOM 743 CD1 ILE A 48 11.389 20.354 13.120 1.00 0.00 C ATOM 0 H ILE A 48 8.795 21.909 15.404 1.00 0.00 H new ATOM 0 HA ILE A 48 7.292 19.798 14.190 1.00 0.00 H new ATOM 0 HB ILE A 48 10.064 19.830 15.352 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.392 19.972 12.403 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.535 21.422 13.377 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.371 17.795 13.875 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.118 17.525 15.109 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.650 17.886 13.431 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.665 20.923 12.233 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.865 20.794 13.996 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.721 19.322 13.007 1.00 0.00 H new ATOM 755 N GLY A 49 6.424 18.427 16.112 1.00 0.00 N ATOM 756 CA GLY A 49 5.753 17.752 17.227 1.00 0.00 C ATOM 757 C GLY A 49 6.155 16.290 17.412 1.00 0.00 C ATOM 758 O GLY A 49 6.484 15.886 18.526 1.00 0.00 O ATOM 0 H GLY A 49 5.983 18.250 15.210 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.968 18.295 18.147 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.675 17.803 17.072 1.00 0.00 H new ATOM 762 N ARG A 50 6.152 15.506 16.328 1.00 0.00 N ATOM 763 CA ARG A 50 6.395 14.056 16.347 1.00 0.00 C ATOM 764 C ARG A 50 6.980 13.586 15.017 1.00 0.00 C ATOM 765 O ARG A 50 6.518 14.018 13.962 1.00 0.00 O ATOM 766 CB ARG A 50 5.068 13.343 16.692 1.00 0.00 C ATOM 767 CG ARG A 50 5.088 11.808 16.577 1.00 0.00 C ATOM 768 CD ARG A 50 3.752 11.231 17.069 1.00 0.00 C ATOM 769 NE ARG A 50 3.716 9.759 16.986 1.00 0.00 N ATOM 770 CZ ARG A 50 3.362 9.014 15.951 1.00 0.00 C ATOM 771 NH1 ARG A 50 3.474 7.718 16.009 1.00 0.00 N1+ ATOM 772 NH2 ARG A 50 2.914 9.512 14.832 1.00 0.00 N ATOM 0 H ARG A 50 5.977 15.869 15.391 1.00 0.00 H new ATOM 0 HA ARG A 50 7.134 13.806 17.108 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.787 13.609 17.711 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.288 13.728 16.036 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.262 11.514 15.542 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.909 11.401 17.167 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.583 11.539 18.101 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.938 11.647 16.475 1.00 0.00 H new ATOM 0 HE ARG A 50 3.998 9.255 17.827 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.835 7.275 16.854 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.200 7.146 15.210 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.823 10.522 14.724 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.655 8.891 14.065 1.00 0.00 H new ATOM 786 N VAL A 51 7.944 12.665 15.059 1.00 0.00 N ATOM 787 CA VAL A 51 8.446 11.951 13.870 1.00 0.00 C ATOM 788 C VAL A 51 8.213 10.449 14.043 1.00 0.00 C ATOM 789 O VAL A 51 8.483 9.900 15.111 1.00 0.00 O ATOM 790 CB VAL A 51 9.923 12.272 13.568 1.00 0.00 C ATOM 791 CG1 VAL A 51 10.345 11.697 12.211 1.00 0.00 C ATOM 792 CG2 VAL A 51 10.204 13.780 13.579 1.00 0.00 C ATOM 0 H VAL A 51 8.407 12.387 15.924 1.00 0.00 H new ATOM 0 HA VAL A 51 7.887 12.299 13.001 1.00 0.00 H new ATOM 0 HB VAL A 51 10.505 11.806 14.363 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.391 11.938 12.023 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.218 10.614 12.219 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.726 12.129 11.424 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.257 13.955 13.361 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.591 14.270 12.823 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.964 14.188 14.561 1.00 0.00 H new ATOM 802 N ASP A 52 7.701 9.779 13.008 1.00 0.00 N ATOM 803 CA ASP A 52 7.297 8.367 13.023 1.00 0.00 C ATOM 804 C ASP A 52 7.886 7.622 11.814 1.00 0.00 C ATOM 805 O ASP A 52 7.335 7.626 10.708 1.00 0.00 O ATOM 806 CB ASP A 52 5.763 8.302 13.062 1.00 0.00 C ATOM 807 CG ASP A 52 5.206 6.885 13.245 1.00 0.00 C ATOM 808 OD1 ASP A 52 5.979 5.900 13.338 1.00 0.00 O ATOM 809 OD2 ASP A 52 3.972 6.762 13.413 1.00 0.00 O1- ATOM 0 H ASP A 52 7.550 10.220 12.101 1.00 0.00 H new ATOM 0 HA ASP A 52 7.688 7.868 13.909 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.403 8.931 13.876 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.368 8.721 12.136 1.00 0.00 H new ATOM 814 N LEU A 53 9.056 7.018 12.019 1.00 0.00 N ATOM 815 CA LEU A 53 9.919 6.494 10.958 1.00 0.00 C ATOM 816 C LEU A 53 9.385 5.204 10.310 1.00 0.00 C ATOM 817 O LEU A 53 9.816 4.843 9.212 1.00 0.00 O ATOM 818 CB LEU A 53 11.335 6.267 11.520 1.00 0.00 C ATOM 819 CG LEU A 53 12.149 7.495 11.984 1.00 0.00 C ATOM 820 CD1 LEU A 53 12.215 8.588 10.914 1.00 0.00 C ATOM 821 CD2 LEU A 53 11.682 8.110 13.300 1.00 0.00 C ATOM 0 H LEU A 53 9.441 6.875 12.953 1.00 0.00 H new ATOM 0 HA LEU A 53 9.939 7.240 10.164 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.250 5.586 12.367 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.917 5.753 10.755 1.00 0.00 H new ATOM 0 HG LEU A 53 13.146 7.089 12.157 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.798 9.429 11.289 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.688 8.190 10.016 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.206 8.924 10.674 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.312 8.965 13.546 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.647 8.438 13.201 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.753 7.367 14.094 1.00 0.00 H new ATOM 833 N ARG A 54 8.415 4.538 10.950 1.00 0.00 N ATOM 834 CA ARG A 54 7.703 3.369 10.398 1.00 0.00 C ATOM 835 C ARG A 54 6.832 3.735 9.184 1.00 0.00 C ATOM 836 O ARG A 54 6.574 2.875 8.345 1.00 0.00 O ATOM 837 CB ARG A 54 6.839 2.745 11.505 1.00 0.00 C ATOM 838 CG ARG A 54 7.671 2.171 12.671 1.00 0.00 C ATOM 839 CD ARG A 54 6.822 1.943 13.933 1.00 0.00 C ATOM 840 NE ARG A 54 6.288 3.224 14.430 1.00 0.00 N ATOM 841 CZ ARG A 54 5.904 3.549 15.644 1.00 0.00 C ATOM 842 NH1 ARG A 54 5.935 2.737 16.664 1.00 0.00 N1+ ATOM 843 NH2 ARG A 54 5.473 4.755 15.814 1.00 0.00 N ATOM 0 H ARG A 54 8.094 4.798 11.883 1.00 0.00 H new ATOM 0 HA ARG A 54 8.445 2.652 10.047 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.154 3.500 11.892 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.228 1.950 11.077 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.122 1.228 12.363 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.488 2.854 12.903 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.001 1.262 13.709 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.427 1.469 14.706 1.00 0.00 H new ATOM 0 HE ARG A 54 6.205 3.963 13.732 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.273 1.782 16.546 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.621 3.057 17.580 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.443 5.402 15.026 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.162 5.060 16.736 1.00 0.00 H new ATOM 857 N SER A 55 6.425 5.006 9.080 1.00 0.00 N ATOM 858 CA SER A 55 5.613 5.563 7.977 1.00 0.00 C ATOM 859 C SER A 55 6.259 6.771 7.274 1.00 0.00 C ATOM 860 O SER A 55 5.748 7.235 6.256 1.00 0.00 O ATOM 861 CB SER A 55 4.216 5.943 8.494 1.00 0.00 C ATOM 862 OG SER A 55 3.556 4.824 9.069 1.00 0.00 O ATOM 0 H SER A 55 6.658 5.705 9.785 1.00 0.00 H new ATOM 0 HA SER A 55 5.541 4.777 7.226 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.304 6.737 9.236 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.617 6.339 7.673 1.00 0.00 H new ATOM 0 HG SER A 55 2.671 5.096 9.391 1.00 0.00 H new ATOM 868 N GLY A 56 7.372 7.300 7.801 1.00 0.00 N ATOM 869 CA GLY A 56 8.088 8.470 7.273 1.00 0.00 C ATOM 870 C GLY A 56 7.380 9.807 7.521 1.00 0.00 C ATOM 871 O GLY A 56 7.595 10.760 6.767 1.00 0.00 O ATOM 0 H GLY A 56 7.814 6.912 8.635 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.080 8.508 7.723 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.230 8.341 6.200 1.00 0.00 H new ATOM 875 N VAL A 57 6.490 9.872 8.516 1.00 0.00 N ATOM 876 CA VAL A 57 5.628 11.033 8.796 1.00 0.00 C ATOM 877 C VAL A 57 6.265 11.974 9.822 1.00 0.00 C ATOM 878 O VAL A 57 6.797 11.533 10.841 1.00 0.00 O ATOM 879 CB VAL A 57 4.224 10.582 9.245 1.00 0.00 C ATOM 880 CG1 VAL A 57 3.302 11.762 9.580 1.00 0.00 C ATOM 881 CG2 VAL A 57 3.523 9.770 8.146 1.00 0.00 C ATOM 0 H VAL A 57 6.343 9.101 9.168 1.00 0.00 H new ATOM 0 HA VAL A 57 5.519 11.594 7.868 1.00 0.00 H new ATOM 0 HB VAL A 57 4.390 9.979 10.138 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.327 11.385 9.890 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.739 12.347 10.389 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.184 12.393 8.699 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.535 9.466 8.492 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.421 10.382 7.250 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.115 8.884 7.915 1.00 0.00 H new ATOM 891 N ILE A 58 6.175 13.279 9.564 1.00 0.00 N ATOM 892 CA ILE A 58 6.568 14.388 10.450 1.00 0.00 C ATOM 893 C ILE A 58 5.306 15.208 10.775 1.00 0.00 C ATOM 894 O ILE A 58 4.814 15.976 9.947 1.00 0.00 O ATOM 895 CB ILE A 58 7.692 15.215 9.784 1.00 0.00 C ATOM 896 CG1 ILE A 58 8.977 14.359 9.641 1.00 0.00 C ATOM 897 CG2 ILE A 58 7.970 16.511 10.569 1.00 0.00 C ATOM 898 CD1 ILE A 58 10.134 15.021 8.884 1.00 0.00 C ATOM 0 H ILE A 58 5.803 13.617 8.676 1.00 0.00 H new ATOM 0 HA ILE A 58 6.981 14.027 11.392 1.00 0.00 H new ATOM 0 HB ILE A 58 7.360 15.504 8.787 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.326 14.090 10.638 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.718 13.430 9.133 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.765 17.071 10.077 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.065 17.118 10.602 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.277 16.262 11.585 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.981 14.336 8.843 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.814 15.264 7.871 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.431 15.934 9.400 1.00 0.00 H new ATOM 910 N SER A 59 4.751 15.017 11.972 1.00 0.00 N ATOM 911 CA SER A 59 3.553 15.725 12.447 1.00 0.00 C ATOM 912 C SER A 59 3.935 17.015 13.175 1.00 0.00 C ATOM 913 O SER A 59 4.739 16.994 14.114 1.00 0.00 O ATOM 914 CB SER A 59 2.709 14.840 13.375 1.00 0.00 C ATOM 915 OG SER A 59 2.321 13.639 12.731 1.00 0.00 O ATOM 0 H SER A 59 5.124 14.356 12.653 1.00 0.00 H new ATOM 0 HA SER A 59 2.957 15.974 11.569 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.279 14.605 14.274 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.822 15.387 13.694 1.00 0.00 H new ATOM 0 HG SER A 59 1.786 13.095 13.347 1.00 0.00 H new ATOM 921 N LEU A 60 3.339 18.137 12.771 1.00 0.00 N ATOM 922 CA LEU A 60 3.531 19.440 13.423 1.00 0.00 C ATOM 923 C LEU A 60 2.462 19.710 14.495 1.00 0.00 C ATOM 924 O LEU A 60 1.341 19.201 14.420 1.00 0.00 O ATOM 925 CB LEU A 60 3.560 20.559 12.367 1.00 0.00 C ATOM 926 CG LEU A 60 4.514 20.325 11.177 1.00 0.00 C ATOM 927 CD1 LEU A 60 4.562 21.590 10.323 1.00 0.00 C ATOM 928 CD2 LEU A 60 5.941 19.966 11.608 1.00 0.00 C ATOM 0 H LEU A 60 2.703 18.171 11.975 1.00 0.00 H new ATOM 0 HA LEU A 60 4.491 19.421 13.938 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.550 20.695 11.979 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.841 21.491 12.858 1.00 0.00 H new ATOM 0 HG LEU A 60 4.123 19.476 10.616 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.234 21.434 9.479 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.562 21.818 9.953 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.924 22.423 10.926 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.561 19.814 10.724 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.355 20.777 12.207 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.923 19.051 12.200 1.00 0.00 H new ATOM 940 N ILE A 61 2.808 20.537 15.483 1.00 0.00 N ATOM 941 CA ILE A 61 1.938 20.969 16.595 1.00 0.00 C ATOM 942 C ILE A 61 2.043 22.477 16.820 1.00 0.00 C ATOM 943 O ILE A 61 3.000 23.110 16.373 1.00 0.00 O ATOM 944 CB ILE A 61 2.232 20.158 17.887 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.693 20.225 18.401 1.00 0.00 C ATOM 946 CG2 ILE A 61 1.821 18.690 17.697 1.00 0.00 C ATOM 947 CD1 ILE A 61 4.004 21.434 19.285 1.00 0.00 C ATOM 0 H ILE A 61 3.741 20.945 15.539 1.00 0.00 H new ATOM 0 HA ILE A 61 0.904 20.759 16.320 1.00 0.00 H new ATOM 0 HB ILE A 61 1.632 20.641 18.658 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.908 19.316 18.963 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.366 20.236 17.543 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.032 18.132 18.609 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.755 18.636 17.477 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.384 18.259 16.869 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.048 21.397 19.597 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.825 22.351 18.723 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.361 21.416 20.165 1.00 0.00 H new ATOM 959 N GLU A 62 1.069 23.086 17.498 1.00 0.00 N ATOM 960 CA GLU A 62 1.091 24.523 17.823 1.00 0.00 C ATOM 961 C GLU A 62 2.142 24.854 18.899 1.00 0.00 C ATOM 962 O GLU A 62 2.246 24.172 19.922 1.00 0.00 O ATOM 963 CB GLU A 62 -0.297 25.015 18.263 1.00 0.00 C ATOM 964 CG GLU A 62 -1.342 24.902 17.142 1.00 0.00 C ATOM 965 CD GLU A 62 -2.717 25.443 17.568 1.00 0.00 C ATOM 966 OE1 GLU A 62 -2.812 26.578 18.099 1.00 0.00 O ATOM 967 OE2 GLU A 62 -3.733 24.735 17.370 1.00 0.00 O1- ATOM 0 H GLU A 62 0.239 22.601 17.840 1.00 0.00 H new ATOM 0 HA GLU A 62 1.372 25.049 16.910 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.628 24.435 19.125 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.226 26.054 18.586 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.994 25.451 16.267 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.441 23.858 16.845 1.00 0.00 H new ATOM 974 N GLU A 63 2.917 25.921 18.688 1.00 0.00 N ATOM 975 CA GLU A 63 3.980 26.346 19.617 1.00 0.00 C ATOM 976 C GLU A 63 3.432 27.018 20.890 1.00 0.00 C ATOM 977 O GLU A 63 4.108 27.025 21.922 1.00 0.00 O ATOM 978 CB GLU A 63 5.006 27.207 18.855 1.00 0.00 C ATOM 979 CG GLU A 63 4.538 28.610 18.421 1.00 0.00 C ATOM 980 CD GLU A 63 4.872 29.761 19.390 1.00 0.00 C ATOM 981 OE1 GLU A 63 4.254 30.848 19.248 1.00 0.00 O ATOM 982 OE2 GLU A 63 5.757 29.632 20.271 1.00 0.00 O1- ATOM 0 H GLU A 63 2.829 26.520 17.867 1.00 0.00 H new ATOM 0 HA GLU A 63 4.495 25.461 19.990 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.889 27.321 19.483 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.316 26.660 17.965 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.982 28.836 17.452 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.458 28.583 18.278 1.00 0.00 H new ATOM 1115 N MET B 3 16.553 3.064 10.661 1.00 0.00 N ATOM 1116 CA MET B 3 15.570 4.139 10.460 1.00 0.00 C ATOM 1117 C MET B 3 16.209 5.539 10.495 1.00 0.00 C ATOM 1118 O MET B 3 16.520 6.096 9.439 1.00 0.00 O ATOM 1119 CB MET B 3 14.426 4.013 11.482 1.00 0.00 C ATOM 1120 CG MET B 3 13.436 2.869 11.206 1.00 0.00 C ATOM 1121 SD MET B 3 13.946 1.196 11.710 1.00 0.00 S ATOM 1122 CE MET B 3 14.238 1.457 13.481 1.00 0.00 C ATOM 0 HA MET B 3 15.156 4.022 9.459 1.00 0.00 H new ATOM 0 HB2 MET B 3 14.857 3.870 12.473 1.00 0.00 H new ATOM 0 HB3 MET B 3 13.875 4.953 11.507 1.00 0.00 H new ATOM 0 HG2 MET B 3 12.498 3.104 11.710 1.00 0.00 H new ATOM 0 HG3 MET B 3 13.228 2.852 10.136 1.00 0.00 H new ATOM 0 HE1 MET B 3 13.884 0.591 14.040 1.00 0.00 H new ATOM 0 HE2 MET B 3 15.305 1.591 13.658 1.00 0.00 H new ATOM 0 HE3 MET B 3 13.701 2.346 13.811 1.00 0.00 H new ATOM 1132 N ALA B 4 16.421 6.110 11.687 1.00 0.00 N ATOM 1133 CA ALA B 4 16.970 7.456 11.889 1.00 0.00 C ATOM 1134 C ALA B 4 17.734 7.577 13.218 1.00 0.00 C ATOM 1135 O ALA B 4 17.515 6.795 14.151 1.00 0.00 O ATOM 1136 CB ALA B 4 15.823 8.477 11.828 1.00 0.00 C ATOM 0 H ALA B 4 16.209 5.634 12.564 1.00 0.00 H new ATOM 0 HA ALA B 4 17.690 7.657 11.096 1.00 0.00 H new ATOM 0 HB1 ALA B 4 16.221 9.481 11.977 1.00 0.00 H new ATOM 0 HB2 ALA B 4 15.337 8.420 10.854 1.00 0.00 H new ATOM 0 HB3 ALA B 4 15.096 8.255 12.610 1.00 0.00 H new ATOM 1142 N LYS B 5 18.614 8.582 13.306 1.00 0.00 N ATOM 1143 CA LYS B 5 19.331 8.980 14.526 1.00 0.00 C ATOM 1144 C LYS B 5 18.694 10.220 15.159 1.00 0.00 C ATOM 1145 O LYS B 5 18.443 11.197 14.458 1.00 0.00 O ATOM 1146 CB LYS B 5 20.816 9.212 14.190 1.00 0.00 C ATOM 1147 CG LYS B 5 21.654 9.581 15.430 1.00 0.00 C ATOM 1148 CD LYS B 5 23.153 9.701 15.132 1.00 0.00 C ATOM 1149 CE LYS B 5 23.477 10.864 14.182 1.00 0.00 C ATOM 1150 NZ LYS B 5 24.944 11.054 14.046 1.00 0.00 N1+ ATOM 0 H LYS B 5 18.856 9.161 12.502 1.00 0.00 H new ATOM 0 HA LYS B 5 19.261 8.180 15.262 1.00 0.00 H new ATOM 0 HB2 LYS B 5 21.226 8.311 13.734 1.00 0.00 H new ATOM 0 HB3 LYS B 5 20.897 10.009 13.451 1.00 0.00 H new ATOM 0 HG2 LYS B 5 21.294 10.527 15.836 1.00 0.00 H new ATOM 0 HG3 LYS B 5 21.503 8.825 16.201 1.00 0.00 H new ATOM 0 HD2 LYS B 5 23.695 9.839 16.067 1.00 0.00 H new ATOM 0 HD3 LYS B 5 23.508 8.769 14.693 1.00 0.00 H new ATOM 0 HE2 LYS B 5 23.041 10.669 13.202 1.00 0.00 H new ATOM 0 HE3 LYS B 5 23.022 11.781 14.557 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 25.135 11.974 13.600 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 25.386 11.026 14.987 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 25.339 10.295 13.455 1.00 0.00 H new ATOM 1164 N VAL B 6 18.504 10.209 16.475 1.00 0.00 N ATOM 1165 CA VAL B 6 18.199 11.395 17.304 1.00 0.00 C ATOM 1166 C VAL B 6 19.478 11.879 18.006 1.00 0.00 C ATOM 1167 O VAL B 6 20.267 11.062 18.479 1.00 0.00 O ATOM 1168 CB VAL B 6 17.055 11.083 18.293 1.00 0.00 C ATOM 1169 CG1 VAL B 6 16.994 11.993 19.525 1.00 0.00 C ATOM 1170 CG2 VAL B 6 15.704 11.173 17.577 1.00 0.00 C ATOM 0 H VAL B 6 18.558 9.350 17.023 1.00 0.00 H new ATOM 0 HA VAL B 6 17.848 12.209 16.670 1.00 0.00 H new ATOM 0 HB VAL B 6 17.268 10.076 18.652 1.00 0.00 H new ATOM 0 HG11 VAL B 6 16.158 11.694 20.157 1.00 0.00 H new ATOM 0 HG12 VAL B 6 17.924 11.906 20.088 1.00 0.00 H new ATOM 0 HG13 VAL B 6 16.857 13.027 19.207 1.00 0.00 H new ATOM 0 HG21 VAL B 6 14.903 10.951 18.282 1.00 0.00 H new ATOM 0 HG22 VAL B 6 15.569 12.179 17.179 1.00 0.00 H new ATOM 0 HG23 VAL B 6 15.677 10.453 16.759 1.00 0.00 H new ATOM 1180 N VAL B 7 19.701 13.196 18.072 1.00 0.00 N ATOM 1181 CA VAL B 7 20.881 13.821 18.694 1.00 0.00 C ATOM 1182 C VAL B 7 20.520 15.083 19.492 1.00 0.00 C ATOM 1183 O VAL B 7 19.684 15.878 19.069 1.00 0.00 O ATOM 1184 CB VAL B 7 22.001 14.066 17.656 1.00 0.00 C ATOM 1185 CG1 VAL B 7 21.584 14.971 16.486 1.00 0.00 C ATOM 1186 CG2 VAL B 7 23.265 14.674 18.284 1.00 0.00 C ATOM 0 H VAL B 7 19.050 13.878 17.684 1.00 0.00 H new ATOM 0 HA VAL B 7 21.277 13.115 19.423 1.00 0.00 H new ATOM 0 HB VAL B 7 22.210 13.068 17.271 1.00 0.00 H new ATOM 0 HG11 VAL B 7 22.425 15.093 15.803 1.00 0.00 H new ATOM 0 HG12 VAL B 7 20.748 14.516 15.955 1.00 0.00 H new ATOM 0 HG13 VAL B 7 21.283 15.946 16.869 1.00 0.00 H new ATOM 0 HG21 VAL B 7 24.019 14.825 17.511 1.00 0.00 H new ATOM 0 HG22 VAL B 7 23.019 15.632 18.743 1.00 0.00 H new ATOM 0 HG23 VAL B 7 23.655 13.997 19.044 1.00 0.00 H new ATOM 1196 N LEU B 8 21.169 15.272 20.647 1.00 0.00 N ATOM 1197 CA LEU B 8 20.985 16.413 21.561 1.00 0.00 C ATOM 1198 C LEU B 8 22.298 16.869 22.208 1.00 0.00 C ATOM 1199 O LEU B 8 23.232 16.078 22.360 1.00 0.00 O ATOM 1200 CB LEU B 8 19.923 16.063 22.624 1.00 0.00 C ATOM 1201 CG LEU B 8 20.309 14.944 23.614 1.00 0.00 C ATOM 1202 CD1 LEU B 8 20.866 15.495 24.931 1.00 0.00 C ATOM 1203 CD2 LEU B 8 19.095 14.078 23.960 1.00 0.00 C ATOM 0 H LEU B 8 21.866 14.609 20.987 1.00 0.00 H new ATOM 0 HA LEU B 8 20.633 17.259 20.971 1.00 0.00 H new ATOM 0 HB2 LEU B 8 19.695 16.964 23.194 1.00 0.00 H new ATOM 0 HB3 LEU B 8 19.006 15.770 22.112 1.00 0.00 H new ATOM 0 HG LEU B 8 21.078 14.357 23.112 1.00 0.00 H new ATOM 0 HD11 LEU B 8 21.122 14.667 25.592 1.00 0.00 H new ATOM 0 HD12 LEU B 8 21.758 16.088 24.729 1.00 0.00 H new ATOM 0 HD13 LEU B 8 20.114 16.123 25.410 1.00 0.00 H new ATOM 0 HD21 LEU B 8 19.393 13.297 24.659 1.00 0.00 H new ATOM 0 HD22 LEU B 8 18.324 14.698 24.416 1.00 0.00 H new ATOM 0 HD23 LEU B 8 18.703 13.621 23.051 1.00 0.00 H new ATOM 1215 N THR B 9 22.342 18.136 22.646 1.00 0.00 N ATOM 1216 CA THR B 9 23.452 18.718 23.424 1.00 0.00 C ATOM 1217 C THR B 9 23.043 18.926 24.889 1.00 0.00 C ATOM 1218 O THR B 9 21.972 19.464 25.178 1.00 0.00 O ATOM 1219 CB THR B 9 23.944 20.044 22.802 1.00 0.00 C ATOM 1220 OG1 THR B 9 24.156 19.894 21.409 1.00 0.00 O ATOM 1221 CG2 THR B 9 25.281 20.506 23.375 1.00 0.00 C ATOM 0 H THR B 9 21.591 18.802 22.466 1.00 0.00 H new ATOM 0 HA THR B 9 24.280 18.010 23.395 1.00 0.00 H new ATOM 0 HB THR B 9 23.165 20.772 23.028 1.00 0.00 H new ATOM 0 HG1 THR B 9 24.310 20.773 21.005 1.00 0.00 H new ATOM 0 HG21 THR B 9 25.576 21.442 22.901 1.00 0.00 H new ATOM 0 HG22 THR B 9 25.183 20.659 24.450 1.00 0.00 H new ATOM 0 HG23 THR B 9 26.040 19.747 23.184 1.00 0.00 H new ATOM 1229 N LYS B 10 23.895 18.479 25.821 1.00 0.00 N ATOM 1230 CA LYS B 10 23.727 18.583 27.280 1.00 0.00 C ATOM 1231 C LYS B 10 24.107 19.966 27.829 1.00 0.00 C ATOM 1232 O LYS B 10 24.854 20.723 27.202 1.00 0.00 O ATOM 1233 CB LYS B 10 24.604 17.519 27.962 1.00 0.00 C ATOM 1234 CG LYS B 10 24.187 16.068 27.674 1.00 0.00 C ATOM 1235 CD LYS B 10 25.003 15.076 28.525 1.00 0.00 C ATOM 1236 CE LYS B 10 26.463 14.991 28.062 1.00 0.00 C ATOM 1237 NZ LYS B 10 27.350 14.497 29.146 1.00 0.00 N1+ ATOM 0 H LYS B 10 24.765 18.011 25.567 1.00 0.00 H new ATOM 0 HA LYS B 10 22.670 18.426 27.496 1.00 0.00 H new ATOM 0 HB2 LYS B 10 25.636 17.657 27.641 1.00 0.00 H new ATOM 0 HB3 LYS B 10 24.580 17.683 29.039 1.00 0.00 H new ATOM 0 HG2 LYS B 10 23.125 15.943 27.884 1.00 0.00 H new ATOM 0 HG3 LYS B 10 24.331 15.848 26.616 1.00 0.00 H new ATOM 0 HD2 LYS B 10 24.971 15.383 29.570 1.00 0.00 H new ATOM 0 HD3 LYS B 10 24.546 14.088 28.469 1.00 0.00 H new ATOM 0 HE2 LYS B 10 26.535 14.327 27.201 1.00 0.00 H new ATOM 0 HE3 LYS B 10 26.800 15.975 27.735 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 28.259 14.195 28.740 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 27.514 15.259 29.834 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 26.899 13.691 29.623 1.00 0.00 H new ATOM 1251 N ALA B 11 23.666 20.267 29.052 1.00 0.00 N ATOM 1252 CA ALA B 11 24.024 21.494 29.772 1.00 0.00 C ATOM 1253 C ALA B 11 25.531 21.589 30.129 1.00 0.00 C ATOM 1254 O ALA B 11 26.061 22.693 30.276 1.00 0.00 O ATOM 1255 CB ALA B 11 23.142 21.582 31.025 1.00 0.00 C ATOM 0 H ALA B 11 23.041 19.657 29.579 1.00 0.00 H new ATOM 0 HA ALA B 11 23.843 22.344 29.114 1.00 0.00 H new ATOM 0 HB1 ALA B 11 23.388 22.487 31.580 1.00 0.00 H new ATOM 0 HB2 ALA B 11 22.093 21.611 30.730 1.00 0.00 H new ATOM 0 HB3 ALA B 11 23.318 20.711 31.656 1.00 0.00 H new ATOM 1261 N ASP B 12 26.240 20.455 30.223 1.00 0.00 N ATOM 1262 CA ASP B 12 27.694 20.381 30.449 1.00 0.00 C ATOM 1263 C ASP B 12 28.537 20.597 29.165 1.00 0.00 C ATOM 1264 O ASP B 12 29.770 20.573 29.220 1.00 0.00 O ATOM 1265 CB ASP B 12 28.044 19.067 31.176 1.00 0.00 C ATOM 1266 CG ASP B 12 27.825 17.772 30.365 1.00 0.00 C ATOM 1267 OD1 ASP B 12 27.821 16.671 30.968 1.00 0.00 O ATOM 1268 OD2 ASP B 12 27.667 17.830 29.125 1.00 0.00 O1- ATOM 0 H ASP B 12 25.806 19.535 30.142 1.00 0.00 H new ATOM 0 HA ASP B 12 27.967 21.217 31.092 1.00 0.00 H new ATOM 0 HB2 ASP B 12 29.090 19.110 31.481 1.00 0.00 H new ATOM 0 HB3 ASP B 12 27.448 19.008 32.087 1.00 0.00 H new ATOM 1273 N GLY B 13 27.888 20.827 28.010 1.00 0.00 N ATOM 1274 CA GLY B 13 28.533 21.039 26.704 1.00 0.00 C ATOM 1275 C GLY B 13 28.841 19.761 25.911 1.00 0.00 C ATOM 1276 O GLY B 13 29.248 19.854 24.749 1.00 0.00 O ATOM 0 H GLY B 13 26.870 20.872 27.959 1.00 0.00 H new ATOM 0 HA2 GLY B 13 27.889 21.677 26.098 1.00 0.00 H new ATOM 0 HA3 GLY B 13 29.464 21.583 26.861 1.00 0.00 H new ATOM 1280 N GLY B 14 28.644 18.572 26.491 1.00 0.00 N ATOM 1281 CA GLY B 14 28.713 17.284 25.788 1.00 0.00 C ATOM 1282 C GLY B 14 27.476 17.000 24.915 1.00 0.00 C ATOM 1283 O GLY B 14 26.489 17.741 24.943 1.00 0.00 O ATOM 0 H GLY B 14 28.428 18.475 27.483 1.00 0.00 H new ATOM 0 HA2 GLY B 14 29.604 17.268 25.160 1.00 0.00 H new ATOM 0 HA3 GLY B 14 28.824 16.484 26.520 1.00 0.00 H new ATOM 1287 N ARG B 15 27.503 15.900 24.152 1.00 0.00 N ATOM 1288 CA ARG B 15 26.404 15.447 23.272 1.00 0.00 C ATOM 1289 C ARG B 15 26.039 13.975 23.476 1.00 0.00 C ATOM 1290 O ARG B 15 26.875 13.164 23.879 1.00 0.00 O ATOM 1291 CB ARG B 15 26.738 15.748 21.799 1.00 0.00 C ATOM 1292 CG ARG B 15 26.535 17.235 21.484 1.00 0.00 C ATOM 1293 CD ARG B 15 26.811 17.591 20.018 1.00 0.00 C ATOM 1294 NE ARG B 15 26.328 18.954 19.745 1.00 0.00 N ATOM 1295 CZ ARG B 15 26.603 19.726 18.716 1.00 0.00 C ATOM 1296 NH1 ARG B 15 27.423 19.362 17.770 1.00 0.00 N1+ ATOM 1297 NH2 ARG B 15 26.043 20.899 18.633 1.00 0.00 N ATOM 0 H ARG B 15 28.311 15.278 24.125 1.00 0.00 H new ATOM 0 HA ARG B 15 25.516 16.013 23.553 1.00 0.00 H new ATOM 0 HB2 ARG B 15 27.770 15.466 21.591 1.00 0.00 H new ATOM 0 HB3 ARG B 15 26.105 15.145 21.148 1.00 0.00 H new ATOM 0 HG2 ARG B 15 25.511 17.514 21.731 1.00 0.00 H new ATOM 0 HG3 ARG B 15 27.190 17.827 22.123 1.00 0.00 H new ATOM 0 HD2 ARG B 15 27.879 17.524 19.811 1.00 0.00 H new ATOM 0 HD3 ARG B 15 26.314 16.879 19.360 1.00 0.00 H new ATOM 0 HE ARG B 15 25.699 19.351 20.443 1.00 0.00 H new ATOM 0 HH11 ARG B 15 27.877 18.450 17.812 1.00 0.00 H new ATOM 0 HH12 ARG B 15 27.610 19.990 16.988 1.00 0.00 H new ATOM 0 HH21 ARG B 15 25.399 21.210 19.361 1.00 0.00 H new ATOM 0 HH22 ARG B 15 26.248 21.507 17.840 1.00 0.00 H new ATOM 1311 N VAL B 16 24.777 13.649 23.188 1.00 0.00 N ATOM 1312 CA VAL B 16 24.178 12.307 23.300 1.00 0.00 C ATOM 1313 C VAL B 16 23.485 11.952 21.986 1.00 0.00 C ATOM 1314 O VAL B 16 22.818 12.791 21.379 1.00 0.00 O ATOM 1315 CB VAL B 16 23.198 12.236 24.494 1.00 0.00 C ATOM 1316 CG1 VAL B 16 22.483 10.884 24.608 1.00 0.00 C ATOM 1317 CG2 VAL B 16 23.914 12.502 25.826 1.00 0.00 C ATOM 0 H VAL B 16 24.109 14.343 22.854 1.00 0.00 H new ATOM 0 HA VAL B 16 24.965 11.577 23.490 1.00 0.00 H new ATOM 0 HB VAL B 16 22.457 13.010 24.296 1.00 0.00 H new ATOM 0 HG11 VAL B 16 21.810 10.899 25.465 1.00 0.00 H new ATOM 0 HG12 VAL B 16 21.910 10.698 23.700 1.00 0.00 H new ATOM 0 HG13 VAL B 16 23.221 10.092 24.740 1.00 0.00 H new ATOM 0 HG21 VAL B 16 23.195 12.444 26.643 1.00 0.00 H new ATOM 0 HG22 VAL B 16 24.694 11.755 25.975 1.00 0.00 H new ATOM 0 HG23 VAL B 16 24.362 13.496 25.806 1.00 0.00 H new ATOM 1327 N GLU B 17 23.643 10.702 21.548 1.00 0.00 N ATOM 1328 CA GLU B 17 23.101 10.170 20.287 1.00 0.00 C ATOM 1329 C GLU B 17 22.331 8.858 20.521 1.00 0.00 C ATOM 1330 O GLU B 17 22.756 8.003 21.307 1.00 0.00 O ATOM 1331 CB GLU B 17 24.232 9.936 19.271 1.00 0.00 C ATOM 1332 CG GLU B 17 24.878 11.240 18.777 1.00 0.00 C ATOM 1333 CD GLU B 17 26.012 10.979 17.773 1.00 0.00 C ATOM 1334 OE1 GLU B 17 25.925 11.475 16.622 1.00 0.00 O ATOM 1335 OE2 GLU B 17 27.003 10.286 18.120 1.00 0.00 O1- ATOM 0 H GLU B 17 24.169 10.005 22.076 1.00 0.00 H new ATOM 0 HA GLU B 17 22.407 10.909 19.887 1.00 0.00 H new ATOM 0 HB2 GLU B 17 24.998 9.308 19.727 1.00 0.00 H new ATOM 0 HB3 GLU B 17 23.837 9.387 18.416 1.00 0.00 H new ATOM 0 HG2 GLU B 17 24.118 11.866 18.310 1.00 0.00 H new ATOM 0 HG3 GLU B 17 25.270 11.796 19.629 1.00 0.00 H new ATOM 1342 N ILE B 18 21.218 8.684 19.804 1.00 0.00 N ATOM 1343 CA ILE B 18 20.324 7.517 19.874 1.00 0.00 C ATOM 1344 C ILE B 18 20.029 7.048 18.440 1.00 0.00 C ATOM 1345 O ILE B 18 19.362 7.753 17.684 1.00 0.00 O ATOM 1346 CB ILE B 18 19.033 7.867 20.653 1.00 0.00 C ATOM 1347 CG1 ILE B 18 19.345 8.245 22.122 1.00 0.00 C ATOM 1348 CG2 ILE B 18 18.030 6.699 20.620 1.00 0.00 C ATOM 1349 CD1 ILE B 18 18.176 8.895 22.859 1.00 0.00 C ATOM 0 H ILE B 18 20.899 9.379 19.130 1.00 0.00 H new ATOM 0 HA ILE B 18 20.802 6.702 20.418 1.00 0.00 H new ATOM 0 HB ILE B 18 18.586 8.730 20.159 1.00 0.00 H new ATOM 0 HG12 ILE B 18 19.646 7.347 22.661 1.00 0.00 H new ATOM 0 HG13 ILE B 18 20.195 8.927 22.138 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.133 6.974 21.175 1.00 0.00 H new ATOM 0 HG22 ILE B 18 17.763 6.477 19.587 1.00 0.00 H new ATOM 0 HG23 ILE B 18 18.483 5.818 21.075 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.475 9.129 23.881 1.00 0.00 H new ATOM 0 HD12 ILE B 18 17.887 9.812 22.346 1.00 0.00 H new ATOM 0 HD13 ILE B 18 17.330 8.208 22.877 1.00 0.00 H new ATOM 1361 N GLY B 19 20.539 5.876 18.054 1.00 0.00 N ATOM 1362 CA GLY B 19 20.315 5.270 16.735 1.00 0.00 C ATOM 1363 C GLY B 19 19.026 4.440 16.634 1.00 0.00 C ATOM 1364 O GLY B 19 18.396 4.113 17.643 1.00 0.00 O ATOM 0 H GLY B 19 21.131 5.309 18.660 1.00 0.00 H new ATOM 0 HA2 GLY B 19 20.285 6.060 15.985 1.00 0.00 H new ATOM 0 HA3 GLY B 19 21.165 4.632 16.492 1.00 0.00 H new ATOM 1368 N ASP B 20 18.660 4.076 15.403 1.00 0.00 N ATOM 1369 CA ASP B 20 17.561 3.158 15.065 1.00 0.00 C ATOM 1370 C ASP B 20 16.203 3.545 15.698 1.00 0.00 C ATOM 1371 O ASP B 20 15.481 2.705 16.243 1.00 0.00 O ATOM 1372 CB ASP B 20 17.974 1.694 15.298 1.00 0.00 C ATOM 1373 CG ASP B 20 19.339 1.331 14.685 1.00 0.00 C ATOM 1374 OD1 ASP B 20 19.647 1.803 13.565 1.00 0.00 O ATOM 1375 OD2 ASP B 20 20.099 0.561 15.317 1.00 0.00 O1- ATOM 0 H ASP B 20 19.141 4.427 14.575 1.00 0.00 H new ATOM 0 HA ASP B 20 17.375 3.263 13.996 1.00 0.00 H new ATOM 0 HB2 ASP B 20 18.004 1.501 16.370 1.00 0.00 H new ATOM 0 HB3 ASP B 20 17.211 1.039 14.877 1.00 0.00 H new ATOM 1380 N VAL B 21 15.869 4.838 15.665 1.00 0.00 N ATOM 1381 CA VAL B 21 14.637 5.396 16.247 1.00 0.00 C ATOM 1382 C VAL B 21 13.397 4.989 15.435 1.00 0.00 C ATOM 1383 O VAL B 21 13.360 5.179 14.224 1.00 0.00 O ATOM 1384 CB VAL B 21 14.755 6.925 16.359 1.00 0.00 C ATOM 1385 CG1 VAL B 21 13.468 7.599 16.852 1.00 0.00 C ATOM 1386 CG2 VAL B 21 15.873 7.291 17.338 1.00 0.00 C ATOM 0 H VAL B 21 16.458 5.545 15.224 1.00 0.00 H new ATOM 0 HA VAL B 21 14.511 4.983 17.248 1.00 0.00 H new ATOM 0 HB VAL B 21 14.965 7.283 15.351 1.00 0.00 H new ATOM 0 HG11 VAL B 21 13.620 8.677 16.908 1.00 0.00 H new ATOM 0 HG12 VAL B 21 12.655 7.383 16.158 1.00 0.00 H new ATOM 0 HG13 VAL B 21 13.213 7.217 17.840 1.00 0.00 H new ATOM 0 HG21 VAL B 21 15.951 8.376 17.412 1.00 0.00 H new ATOM 0 HG22 VAL B 21 15.647 6.875 18.320 1.00 0.00 H new ATOM 0 HG23 VAL B 21 16.818 6.883 16.980 1.00 0.00 H new ATOM 1396 N LEU B 22 12.361 4.467 16.109 1.00 0.00 N ATOM 1397 CA LEU B 22 11.032 4.213 15.536 1.00 0.00 C ATOM 1398 C LEU B 22 10.098 5.426 15.669 1.00 0.00 C ATOM 1399 O LEU B 22 9.344 5.724 14.741 1.00 0.00 O ATOM 1400 CB LEU B 22 10.391 2.994 16.227 1.00 0.00 C ATOM 1401 CG LEU B 22 11.081 1.642 15.952 1.00 0.00 C ATOM 1402 CD1 LEU B 22 10.478 0.571 16.862 1.00 0.00 C ATOM 1403 CD2 LEU B 22 10.901 1.170 14.505 1.00 0.00 C ATOM 0 H LEU B 22 12.427 4.204 17.092 1.00 0.00 H new ATOM 0 HA LEU B 22 11.169 4.016 14.473 1.00 0.00 H new ATOM 0 HB2 LEU B 22 10.386 3.168 17.303 1.00 0.00 H new ATOM 0 HB3 LEU B 22 9.350 2.923 15.910 1.00 0.00 H new ATOM 0 HG LEU B 22 12.144 1.788 16.141 1.00 0.00 H new ATOM 0 HD11 LEU B 22 10.964 -0.386 16.670 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.629 0.852 17.904 1.00 0.00 H new ATOM 0 HD13 LEU B 22 9.410 0.482 16.662 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.407 0.214 14.368 1.00 0.00 H new ATOM 0 HD22 LEU B 22 9.839 1.052 14.290 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.329 1.907 13.826 1.00 0.00 H new ATOM 1415 N GLU B 23 10.155 6.132 16.803 1.00 0.00 N ATOM 1416 CA GLU B 23 9.295 7.279 17.114 1.00 0.00 C ATOM 1417 C GLU B 23 9.990 8.269 18.060 1.00 0.00 C ATOM 1418 O GLU B 23 10.685 7.863 18.990 1.00 0.00 O ATOM 1419 CB GLU B 23 7.958 6.782 17.705 1.00 0.00 C ATOM 1420 CG GLU B 23 6.979 7.919 18.026 1.00 0.00 C ATOM 1421 CD GLU B 23 5.568 7.454 18.424 1.00 0.00 C ATOM 1422 OE1 GLU B 23 4.847 8.234 19.081 1.00 0.00 O ATOM 1423 OE2 GLU B 23 5.088 6.393 17.967 1.00 0.00 O1- ATOM 0 H GLU B 23 10.817 5.916 17.549 1.00 0.00 H new ATOM 0 HA GLU B 23 9.092 7.819 16.189 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.489 6.096 17.000 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.158 6.216 18.615 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.392 8.519 18.837 1.00 0.00 H new ATOM 0 HG3 GLU B 23 6.901 8.570 17.156 1.00 0.00 H new ATOM 1430 N VAL B 24 9.760 9.565 17.851 1.00 0.00 N ATOM 1431 CA VAL B 24 10.217 10.657 18.728 1.00 0.00 C ATOM 1432 C VAL B 24 9.163 11.760 18.807 1.00 0.00 C ATOM 1433 O VAL B 24 8.476 12.023 17.817 1.00 0.00 O ATOM 1434 CB VAL B 24 11.587 11.195 18.270 1.00 0.00 C ATOM 1435 CG1 VAL B 24 11.588 11.710 16.833 1.00 0.00 C ATOM 1436 CG2 VAL B 24 12.153 12.293 19.179 1.00 0.00 C ATOM 0 H VAL B 24 9.235 9.900 17.043 1.00 0.00 H new ATOM 0 HA VAL B 24 10.350 10.262 19.735 1.00 0.00 H new ATOM 0 HB VAL B 24 12.233 10.319 18.334 1.00 0.00 H new ATOM 0 HG11 VAL B 24 12.583 12.073 16.577 1.00 0.00 H new ATOM 0 HG12 VAL B 24 11.312 10.901 16.156 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.869 12.524 16.738 1.00 0.00 H new ATOM 0 HG21 VAL B 24 13.118 12.622 18.794 1.00 0.00 H new ATOM 0 HG22 VAL B 24 11.464 13.137 19.202 1.00 0.00 H new ATOM 0 HG23 VAL B 24 12.280 11.901 20.188 1.00 0.00 H new ATOM 1446 N ARG B 25 9.022 12.398 19.978 1.00 0.00 N ATOM 1447 CA ARG B 25 8.067 13.490 20.239 1.00 0.00 C ATOM 1448 C ARG B 25 8.680 14.624 21.045 1.00 0.00 C ATOM 1449 O ARG B 25 9.413 14.363 21.994 1.00 0.00 O ATOM 1450 CB ARG B 25 6.851 12.986 21.040 1.00 0.00 C ATOM 1451 CG ARG B 25 6.115 11.793 20.424 1.00 0.00 C ATOM 1452 CD ARG B 25 4.870 11.519 21.267 1.00 0.00 C ATOM 1453 NE ARG B 25 4.219 10.261 20.884 1.00 0.00 N ATOM 1454 CZ ARG B 25 3.113 9.756 21.390 1.00 0.00 C ATOM 1455 NH1 ARG B 25 2.428 10.351 22.327 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 25 2.707 8.607 20.942 1.00 0.00 N ATOM 0 H ARG B 25 9.585 12.163 20.795 1.00 0.00 H new ATOM 0 HA ARG B 25 7.772 13.853 19.255 1.00 0.00 H new ATOM 0 HB2 ARG B 25 7.184 12.710 22.041 1.00 0.00 H new ATOM 0 HB3 ARG B 25 6.145 13.809 21.155 1.00 0.00 H new ATOM 0 HG2 ARG B 25 5.837 12.008 19.392 1.00 0.00 H new ATOM 0 HG3 ARG B 25 6.762 10.916 20.403 1.00 0.00 H new ATOM 0 HD2 ARG B 25 5.146 11.479 22.321 1.00 0.00 H new ATOM 0 HD3 ARG B 25 4.165 12.343 21.153 1.00 0.00 H new ATOM 0 HE ARG B 25 4.671 9.720 20.147 1.00 0.00 H new ATOM 0 HH11 ARG B 25 2.744 11.247 22.699 1.00 0.00 H new ATOM 0 HH12 ARG B 25 1.577 9.921 22.688 1.00 0.00 H new ATOM 0 HH21 ARG B 25 3.241 8.124 20.220 1.00 0.00 H new ATOM 0 HH22 ARG B 25 1.854 8.188 21.312 1.00 0.00 H new ATOM 1470 N ALA B 26 8.273 15.852 20.756 1.00 0.00 N ATOM 1471 CA ALA B 26 8.259 16.949 21.717 1.00 0.00 C ATOM 1472 C ALA B 26 6.884 16.965 22.419 1.00 0.00 C ATOM 1473 O ALA B 26 5.864 17.268 21.791 1.00 0.00 O ATOM 1474 CB ALA B 26 8.556 18.254 20.968 1.00 0.00 C ATOM 0 H ALA B 26 7.937 16.120 19.831 1.00 0.00 H new ATOM 0 HA ALA B 26 9.022 16.828 22.486 1.00 0.00 H new ATOM 0 HB1 ALA B 26 8.550 19.087 21.671 1.00 0.00 H new ATOM 0 HB2 ALA B 26 9.535 18.187 20.494 1.00 0.00 H new ATOM 0 HB3 ALA B 26 7.794 18.417 20.206 1.00 0.00 H new ATOM 1509 N ALA B 30 9.230 18.334 27.337 1.00 0.00 N ATOM 1510 CA ALA B 30 10.352 17.407 27.202 1.00 0.00 C ATOM 1511 C ALA B 30 10.363 16.751 25.811 1.00 0.00 C ATOM 1512 O ALA B 30 9.355 16.773 25.095 1.00 0.00 O ATOM 1513 CB ALA B 30 10.215 16.346 28.303 1.00 0.00 C ATOM 0 HA ALA B 30 11.295 17.944 27.307 1.00 0.00 H new ATOM 0 HB1 ALA B 30 11.040 15.637 28.230 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.238 16.830 29.279 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.270 15.817 28.183 1.00 0.00 H new ATOM 1519 N VAL B 31 11.470 16.102 25.448 1.00 0.00 N ATOM 1520 CA VAL B 31 11.499 15.135 24.338 1.00 0.00 C ATOM 1521 C VAL B 31 11.430 13.700 24.867 1.00 0.00 C ATOM 1522 O VAL B 31 12.116 13.360 25.832 1.00 0.00 O ATOM 1523 CB VAL B 31 12.677 15.372 23.373 1.00 0.00 C ATOM 1524 CG1 VAL B 31 12.894 14.225 22.375 1.00 0.00 C ATOM 1525 CG2 VAL B 31 12.386 16.633 22.554 1.00 0.00 C ATOM 0 H VAL B 31 12.371 16.228 25.910 1.00 0.00 H new ATOM 0 HA VAL B 31 10.606 15.297 23.734 1.00 0.00 H new ATOM 0 HB VAL B 31 13.573 15.457 23.988 1.00 0.00 H new ATOM 0 HG11 VAL B 31 13.739 14.461 21.728 1.00 0.00 H new ATOM 0 HG12 VAL B 31 13.100 13.303 22.919 1.00 0.00 H new ATOM 0 HG13 VAL B 31 11.998 14.096 21.768 1.00 0.00 H new ATOM 0 HG21 VAL B 31 13.210 16.817 21.864 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.464 16.495 21.989 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.277 17.485 23.225 1.00 0.00 H new ATOM 1535 N ARG B 32 10.606 12.863 24.232 1.00 0.00 N ATOM 1536 CA ARG B 32 10.500 11.409 24.447 1.00 0.00 C ATOM 1537 C ARG B 32 10.838 10.663 23.154 1.00 0.00 C ATOM 1538 O ARG B 32 10.496 11.148 22.073 1.00 0.00 O ATOM 1539 CB ARG B 32 9.092 11.038 24.956 1.00 0.00 C ATOM 1540 CG ARG B 32 8.887 11.203 26.476 1.00 0.00 C ATOM 1541 CD ARG B 32 8.681 12.634 26.993 1.00 0.00 C ATOM 1542 NE ARG B 32 8.524 12.615 28.465 1.00 0.00 N ATOM 1543 CZ ARG B 32 7.753 13.362 29.231 1.00 0.00 C ATOM 1544 NH1 ARG B 32 7.045 14.360 28.796 1.00 0.00 N1+ ATOM 1545 NH2 ARG B 32 7.690 13.125 30.513 1.00 0.00 N ATOM 0 H ARG B 32 9.959 13.194 23.516 1.00 0.00 H new ATOM 0 HA ARG B 32 11.217 11.110 25.211 1.00 0.00 H new ATOM 0 HB2 ARG B 32 8.359 11.655 24.436 1.00 0.00 H new ATOM 0 HB3 ARG B 32 8.885 10.002 24.686 1.00 0.00 H new ATOM 0 HG2 ARG B 32 8.022 10.608 26.769 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.753 10.779 26.984 1.00 0.00 H new ATOM 0 HD2 ARG B 32 9.532 13.257 26.716 1.00 0.00 H new ATOM 0 HD3 ARG B 32 7.799 13.075 26.529 1.00 0.00 H new ATOM 0 HE ARG B 32 9.093 11.926 28.957 1.00 0.00 H new ATOM 0 HH11 ARG B 32 7.065 14.606 27.806 1.00 0.00 H new ATOM 0 HH12 ARG B 32 6.469 14.897 29.444 1.00 0.00 H new ATOM 0 HH21 ARG B 32 8.236 12.365 30.918 1.00 0.00 H new ATOM 0 HH22 ARG B 32 7.095 13.700 31.109 1.00 0.00 H new ATOM 1559 N VAL B 33 11.496 9.504 23.238 1.00 0.00 N ATOM 1560 CA VAL B 33 11.986 8.731 22.073 1.00 0.00 C ATOM 1561 C VAL B 33 11.969 7.214 22.315 1.00 0.00 C ATOM 1562 O VAL B 33 12.207 6.754 23.437 1.00 0.00 O ATOM 1563 CB VAL B 33 13.368 9.263 21.624 1.00 0.00 C ATOM 1564 CG1 VAL B 33 14.444 9.150 22.701 1.00 0.00 C ATOM 1565 CG2 VAL B 33 13.908 8.592 20.359 1.00 0.00 C ATOM 0 H VAL B 33 11.712 9.060 24.131 1.00 0.00 H new ATOM 0 HA VAL B 33 11.290 8.885 21.248 1.00 0.00 H new ATOM 0 HB VAL B 33 13.166 10.314 21.417 1.00 0.00 H new ATOM 0 HG11 VAL B 33 15.386 9.541 22.317 1.00 0.00 H new ATOM 0 HG12 VAL B 33 14.143 9.724 23.578 1.00 0.00 H new ATOM 0 HG13 VAL B 33 14.572 8.104 22.979 1.00 0.00 H new ATOM 0 HG21 VAL B 33 14.879 9.018 20.108 1.00 0.00 H new ATOM 0 HG22 VAL B 33 14.015 7.521 20.532 1.00 0.00 H new ATOM 0 HG23 VAL B 33 13.215 8.758 19.535 1.00 0.00 H new ATOM 1575 N THR B 34 11.695 6.449 21.253 1.00 0.00 N ATOM 1576 CA THR B 34 11.548 4.981 21.234 1.00 0.00 C ATOM 1577 C THR B 34 12.417 4.354 20.134 1.00 0.00 C ATOM 1578 O THR B 34 12.388 4.803 18.984 1.00 0.00 O ATOM 1579 CB THR B 34 10.076 4.589 20.989 1.00 0.00 C ATOM 1580 OG1 THR B 34 9.224 5.171 21.961 1.00 0.00 O ATOM 1581 CG2 THR B 34 9.844 3.073 21.041 1.00 0.00 C ATOM 0 H THR B 34 11.561 6.857 20.328 1.00 0.00 H new ATOM 0 HA THR B 34 11.873 4.607 22.205 1.00 0.00 H new ATOM 0 HB THR B 34 9.846 4.957 19.989 1.00 0.00 H new ATOM 0 HG1 THR B 34 8.297 4.909 21.782 1.00 0.00 H new ATOM 0 HG21 THR B 34 8.790 2.860 20.861 1.00 0.00 H new ATOM 0 HG22 THR B 34 10.448 2.586 20.276 1.00 0.00 H new ATOM 0 HG23 THR B 34 10.128 2.695 22.023 1.00 0.00 H new ATOM 1589 N THR B 35 13.166 3.301 20.469 1.00 0.00 N ATOM 1590 CA THR B 35 14.123 2.630 19.563 1.00 0.00 C ATOM 1591 C THR B 35 13.629 1.279 19.025 1.00 0.00 C ATOM 1592 O THR B 35 12.694 0.677 19.559 1.00 0.00 O ATOM 1593 CB THR B 35 15.488 2.418 20.248 1.00 0.00 C ATOM 1594 OG1 THR B 35 15.382 1.452 21.273 1.00 0.00 O ATOM 1595 CG2 THR B 35 16.068 3.704 20.832 1.00 0.00 C ATOM 0 H THR B 35 13.129 2.876 21.396 1.00 0.00 H new ATOM 0 HA THR B 35 14.223 3.307 18.714 1.00 0.00 H new ATOM 0 HB THR B 35 16.168 2.071 19.470 1.00 0.00 H new ATOM 0 HG1 THR B 35 14.790 1.787 21.978 1.00 0.00 H new ATOM 0 HG21 THR B 35 17.029 3.490 21.300 1.00 0.00 H new ATOM 0 HG22 THR B 35 16.207 4.435 20.035 1.00 0.00 H new ATOM 0 HG23 THR B 35 15.382 4.107 21.578 1.00 0.00 H new ATOM 1603 N LEU B 36 14.328 0.763 18.004 1.00 0.00 N ATOM 1604 CA LEU B 36 14.202 -0.580 17.418 1.00 0.00 C ATOM 1605 C LEU B 36 14.132 -1.718 18.454 1.00 0.00 C ATOM 1606 O LEU B 36 13.426 -2.709 18.250 1.00 0.00 O ATOM 1607 CB LEU B 36 15.445 -0.761 16.515 1.00 0.00 C ATOM 1608 CG LEU B 36 15.629 -2.133 15.841 1.00 0.00 C ATOM 1609 CD1 LEU B 36 14.558 -2.406 14.787 1.00 0.00 C ATOM 1610 CD2 LEU B 36 16.994 -2.177 15.149 1.00 0.00 C ATOM 0 H LEU B 36 15.047 1.312 17.532 1.00 0.00 H new ATOM 0 HA LEU B 36 13.260 -0.644 16.874 1.00 0.00 H new ATOM 0 HB2 LEU B 36 15.408 -0.002 15.733 1.00 0.00 H new ATOM 0 HB3 LEU B 36 16.332 -0.558 17.115 1.00 0.00 H new ATOM 0 HG LEU B 36 15.551 -2.890 16.621 1.00 0.00 H new ATOM 0 HD11 LEU B 36 14.729 -3.385 14.339 1.00 0.00 H new ATOM 0 HD12 LEU B 36 13.574 -2.388 15.255 1.00 0.00 H new ATOM 0 HD13 LEU B 36 14.605 -1.640 14.013 1.00 0.00 H new ATOM 0 HD21 LEU B 36 17.128 -3.147 14.670 1.00 0.00 H new ATOM 0 HD22 LEU B 36 17.046 -1.391 14.396 1.00 0.00 H new ATOM 0 HD23 LEU B 36 17.781 -2.025 15.887 1.00 0.00 H new ATOM 1622 N PHE B 37 14.866 -1.580 19.558 1.00 0.00 N ATOM 1623 CA PHE B 37 15.000 -2.568 20.637 1.00 0.00 C ATOM 1624 C PHE B 37 13.871 -2.501 21.691 1.00 0.00 C ATOM 1625 O PHE B 37 13.960 -3.166 22.724 1.00 0.00 O ATOM 1626 CB PHE B 37 16.390 -2.395 21.263 1.00 0.00 C ATOM 1627 CG PHE B 37 17.523 -2.438 20.251 1.00 0.00 C ATOM 1628 CD1 PHE B 37 18.070 -1.241 19.749 1.00 0.00 C ATOM 1629 CD2 PHE B 37 17.989 -3.676 19.764 1.00 0.00 C ATOM 1630 CE1 PHE B 37 19.062 -1.280 18.750 1.00 0.00 C ATOM 1631 CE2 PHE B 37 18.989 -3.715 18.775 1.00 0.00 C ATOM 1632 CZ PHE B 37 19.526 -2.515 18.268 1.00 0.00 C ATOM 0 H PHE B 37 15.411 -0.736 19.736 1.00 0.00 H new ATOM 0 HA PHE B 37 14.898 -3.565 20.209 1.00 0.00 H new ATOM 0 HB2 PHE B 37 16.424 -1.444 21.794 1.00 0.00 H new ATOM 0 HB3 PHE B 37 16.546 -3.179 22.004 1.00 0.00 H new ATOM 0 HD1 PHE B 37 17.728 -0.291 20.131 1.00 0.00 H new ATOM 0 HD2 PHE B 37 17.578 -4.597 20.151 1.00 0.00 H new ATOM 0 HE1 PHE B 37 19.466 -0.360 18.354 1.00 0.00 H new ATOM 0 HE2 PHE B 37 19.345 -4.665 18.404 1.00 0.00 H new ATOM 0 HZ PHE B 37 20.294 -2.545 17.509 1.00 0.00 H new ATOM 1642 N ASP B 38 12.842 -1.679 21.456 1.00 0.00 N ATOM 1643 CA ASP B 38 11.770 -1.315 22.399 1.00 0.00 C ATOM 1644 C ASP B 38 12.261 -0.593 23.674 1.00 0.00 C ATOM 1645 O ASP B 38 11.493 -0.408 24.621 1.00 0.00 O ATOM 1646 CB ASP B 38 10.831 -2.504 22.697 1.00 0.00 C ATOM 1647 CG ASP B 38 10.262 -3.201 21.447 1.00 0.00 C ATOM 1648 OD1 ASP B 38 10.090 -4.446 21.483 1.00 0.00 O ATOM 1649 OD2 ASP B 38 9.928 -2.525 20.444 1.00 0.00 O1- ATOM 0 H ASP B 38 12.725 -1.222 20.552 1.00 0.00 H new ATOM 0 HA ASP B 38 11.173 -0.564 21.882 1.00 0.00 H new ATOM 0 HB2 ASP B 38 11.374 -3.239 23.291 1.00 0.00 H new ATOM 0 HB3 ASP B 38 10.001 -2.150 23.309 1.00 0.00 H new ATOM 1654 N GLU B 39 13.522 -0.155 23.716 1.00 0.00 N ATOM 1655 CA GLU B 39 14.048 0.734 24.753 1.00 0.00 C ATOM 1656 C GLU B 39 13.575 2.184 24.513 1.00 0.00 C ATOM 1657 O GLU B 39 13.511 2.649 23.368 1.00 0.00 O ATOM 1658 CB GLU B 39 15.583 0.621 24.817 1.00 0.00 C ATOM 1659 CG GLU B 39 16.183 1.438 25.971 1.00 0.00 C ATOM 1660 CD GLU B 39 17.684 1.145 26.162 1.00 0.00 C ATOM 1661 OE1 GLU B 39 18.094 0.763 27.288 1.00 0.00 O ATOM 1662 OE2 GLU B 39 18.469 1.313 25.196 1.00 0.00 O1- ATOM 0 H GLU B 39 14.218 -0.414 23.017 1.00 0.00 H new ATOM 0 HA GLU B 39 13.658 0.429 25.724 1.00 0.00 H new ATOM 0 HB2 GLU B 39 15.863 -0.426 24.933 1.00 0.00 H new ATOM 0 HB3 GLU B 39 16.009 0.962 23.874 1.00 0.00 H new ATOM 0 HG2 GLU B 39 16.043 2.501 25.775 1.00 0.00 H new ATOM 0 HG3 GLU B 39 15.648 1.211 26.893 1.00 0.00 H new ATOM 1669 N GLU B 40 13.264 2.903 25.592 1.00 0.00 N ATOM 1670 CA GLU B 40 12.769 4.290 25.566 1.00 0.00 C ATOM 1671 C GLU B 40 13.639 5.231 26.415 1.00 0.00 C ATOM 1672 O GLU B 40 14.237 4.814 27.414 1.00 0.00 O ATOM 1673 CB GLU B 40 11.307 4.352 26.040 1.00 0.00 C ATOM 1674 CG GLU B 40 10.341 3.596 25.116 1.00 0.00 C ATOM 1675 CD GLU B 40 8.886 3.591 25.634 1.00 0.00 C ATOM 1676 OE1 GLU B 40 8.461 4.543 26.338 1.00 0.00 O ATOM 1677 OE2 GLU B 40 8.136 2.627 25.341 1.00 0.00 O1- ATOM 0 H GLU B 40 13.350 2.531 26.538 1.00 0.00 H new ATOM 0 HA GLU B 40 12.826 4.631 24.532 1.00 0.00 H new ATOM 0 HB2 GLU B 40 11.239 3.936 27.045 1.00 0.00 H new ATOM 0 HB3 GLU B 40 10.996 5.395 26.105 1.00 0.00 H new ATOM 0 HG2 GLU B 40 10.366 4.049 24.125 1.00 0.00 H new ATOM 0 HG3 GLU B 40 10.684 2.567 25.005 1.00 0.00 H new ATOM 1684 N HIS B 41 13.681 6.508 26.027 1.00 0.00 N ATOM 1685 CA HIS B 41 14.431 7.585 26.698 1.00 0.00 C ATOM 1686 C HIS B 41 13.609 8.883 26.774 1.00 0.00 C ATOM 1687 O HIS B 41 12.699 9.098 25.967 1.00 0.00 O ATOM 1688 CB HIS B 41 15.769 7.838 25.986 1.00 0.00 C ATOM 1689 CG HIS B 41 16.593 6.603 25.693 1.00 0.00 C ATOM 1690 ND1 HIS B 41 17.487 5.993 26.579 1.00 0.00 N ATOM 1691 CD2 HIS B 41 16.585 5.902 24.521 1.00 0.00 C ATOM 1692 CE1 HIS B 41 17.994 4.937 25.922 1.00 0.00 C ATOM 1693 NE2 HIS B 41 17.471 4.859 24.685 1.00 0.00 N ATOM 0 H HIS B 41 13.175 6.838 25.205 1.00 0.00 H new ATOM 0 HA HIS B 41 14.633 7.259 27.718 1.00 0.00 H new ATOM 0 HB2 HIS B 41 15.569 8.352 25.046 1.00 0.00 H new ATOM 0 HB3 HIS B 41 16.365 8.514 26.599 1.00 0.00 H new ATOM 0 HD2 HIS B 41 16.000 6.121 23.640 1.00 0.00 H new ATOM 0 HE1 HIS B 41 18.719 4.248 26.329 1.00 0.00 H new ATOM 0 HE2 HIS B 41 17.692 4.149 23.987 1.00 0.00 H new ATOM 1701 N ALA B 42 13.937 9.756 27.728 1.00 0.00 N ATOM 1702 CA ALA B 42 13.254 11.035 27.945 1.00 0.00 C ATOM 1703 C ALA B 42 14.216 12.140 28.426 1.00 0.00 C ATOM 1704 O ALA B 42 15.142 11.881 29.205 1.00 0.00 O ATOM 1705 CB ALA B 42 12.103 10.821 28.933 1.00 0.00 C ATOM 0 H ALA B 42 14.700 9.592 28.385 1.00 0.00 H new ATOM 0 HA ALA B 42 12.855 11.383 26.992 1.00 0.00 H new ATOM 0 HB1 ALA B 42 11.588 11.767 29.102 1.00 0.00 H new ATOM 0 HB2 ALA B 42 11.402 10.094 28.523 1.00 0.00 H new ATOM 0 HB3 ALA B 42 12.499 10.450 29.878 1.00 0.00 H new ATOM 1711 N PHE B 43 13.984 13.378 27.973 1.00 0.00 N ATOM 1712 CA PHE B 43 14.884 14.531 28.130 1.00 0.00 C ATOM 1713 C PHE B 43 14.104 15.841 28.373 1.00 0.00 C ATOM 1714 O PHE B 43 13.655 16.479 27.413 1.00 0.00 O ATOM 1715 CB PHE B 43 15.791 14.633 26.888 1.00 0.00 C ATOM 1716 CG PHE B 43 16.598 13.380 26.593 1.00 0.00 C ATOM 1717 CD1 PHE B 43 16.167 12.476 25.602 1.00 0.00 C ATOM 1718 CD2 PHE B 43 17.747 13.087 27.353 1.00 0.00 C ATOM 1719 CE1 PHE B 43 16.883 11.289 25.372 1.00 0.00 C ATOM 1720 CE2 PHE B 43 18.462 11.899 27.128 1.00 0.00 C ATOM 1721 CZ PHE B 43 18.029 11.000 26.138 1.00 0.00 C ATOM 0 H PHE B 43 13.131 13.615 27.467 1.00 0.00 H new ATOM 0 HA PHE B 43 15.503 14.378 29.014 1.00 0.00 H new ATOM 0 HB2 PHE B 43 15.173 14.865 26.020 1.00 0.00 H new ATOM 0 HB3 PHE B 43 16.478 15.469 27.023 1.00 0.00 H new ATOM 0 HD1 PHE B 43 15.285 12.696 25.018 1.00 0.00 H new ATOM 0 HD2 PHE B 43 18.080 13.779 28.112 1.00 0.00 H new ATOM 0 HE1 PHE B 43 16.555 10.599 24.609 1.00 0.00 H new ATOM 0 HE2 PHE B 43 19.342 11.677 27.714 1.00 0.00 H new ATOM 0 HZ PHE B 43 18.576 10.085 25.964 1.00 0.00 H new ATOM 1731 N PRO B 44 13.914 16.251 29.646 1.00 0.00 N ATOM 1732 CA PRO B 44 13.223 17.496 30.006 1.00 0.00 C ATOM 1733 C PRO B 44 13.897 18.768 29.458 1.00 0.00 C ATOM 1734 O PRO B 44 15.121 18.844 29.352 1.00 0.00 O ATOM 1735 CB PRO B 44 13.141 17.505 31.536 1.00 0.00 C ATOM 1736 CG PRO B 44 13.213 16.026 31.901 1.00 0.00 C ATOM 1737 CD PRO B 44 14.173 15.475 30.847 1.00 0.00 C ATOM 0 HA PRO B 44 12.235 17.515 29.546 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.962 18.069 31.979 1.00 0.00 H new ATOM 0 HB3 PRO B 44 12.215 17.961 31.886 1.00 0.00 H new ATOM 0 HG2 PRO B 44 13.590 15.875 32.913 1.00 0.00 H new ATOM 0 HG3 PRO B 44 12.235 15.547 31.850 1.00 0.00 H new ATOM 0 HD2 PRO B 44 15.210 15.580 31.167 1.00 0.00 H new ATOM 0 HD3 PRO B 44 13.999 14.413 30.674 1.00 0.00 H new ATOM 1745 N GLY B 45 13.084 19.773 29.127 1.00 0.00 N ATOM 1746 CA GLY B 45 13.539 21.081 28.629 1.00 0.00 C ATOM 1747 C GLY B 45 13.910 21.118 27.142 1.00 0.00 C ATOM 1748 O GLY B 45 14.387 22.151 26.666 1.00 0.00 O ATOM 0 H GLY B 45 12.069 19.703 29.198 1.00 0.00 H new ATOM 0 HA2 GLY B 45 12.753 21.814 28.810 1.00 0.00 H new ATOM 0 HA3 GLY B 45 14.406 21.393 29.212 1.00 0.00 H new ATOM 1752 N LEU B 46 13.705 20.020 26.402 1.00 0.00 N ATOM 1753 CA LEU B 46 13.962 19.930 24.956 1.00 0.00 C ATOM 1754 C LEU B 46 12.685 19.931 24.098 1.00 0.00 C ATOM 1755 O LEU B 46 11.597 19.600 24.568 1.00 0.00 O ATOM 1756 CB LEU B 46 14.830 18.692 24.636 1.00 0.00 C ATOM 1757 CG LEU B 46 16.207 18.630 25.317 1.00 0.00 C ATOM 1758 CD1 LEU B 46 16.990 17.446 24.754 1.00 0.00 C ATOM 1759 CD2 LEU B 46 17.047 19.886 25.078 1.00 0.00 C ATOM 0 H LEU B 46 13.348 19.151 26.799 1.00 0.00 H new ATOM 0 HA LEU B 46 14.505 20.836 24.689 1.00 0.00 H new ATOM 0 HB2 LEU B 46 14.270 17.800 24.916 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.980 18.649 23.557 1.00 0.00 H new ATOM 0 HG LEU B 46 16.023 18.535 26.387 1.00 0.00 H new ATOM 0 HD11 LEU B 46 17.968 17.396 25.233 1.00 0.00 H new ATOM 0 HD12 LEU B 46 16.443 16.523 24.948 1.00 0.00 H new ATOM 0 HD13 LEU B 46 17.118 17.573 23.679 1.00 0.00 H new ATOM 0 HD21 LEU B 46 18.007 19.783 25.583 1.00 0.00 H new ATOM 0 HD22 LEU B 46 17.212 20.015 24.008 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.521 20.756 25.472 1.00 0.00 H new ATOM 1771 N ALA B 47 12.864 20.229 22.809 1.00 0.00 N ATOM 1772 CA ALA B 47 11.925 20.038 21.702 1.00 0.00 C ATOM 1773 C ALA B 47 12.691 19.634 20.420 1.00 0.00 C ATOM 1774 O ALA B 47 13.911 19.802 20.338 1.00 0.00 O ATOM 1775 CB ALA B 47 11.102 21.318 21.506 1.00 0.00 C ATOM 0 H ALA B 47 13.739 20.643 22.487 1.00 0.00 H new ATOM 0 HA ALA B 47 11.234 19.227 21.933 1.00 0.00 H new ATOM 0 HB1 ALA B 47 10.402 21.178 20.682 1.00 0.00 H new ATOM 0 HB2 ALA B 47 10.549 21.538 22.419 1.00 0.00 H new ATOM 0 HB3 ALA B 47 11.770 22.149 21.278 1.00 0.00 H new ATOM 1781 N ILE B 48 11.995 19.099 19.412 1.00 0.00 N ATOM 1782 CA ILE B 48 12.601 18.760 18.116 1.00 0.00 C ATOM 1783 C ILE B 48 12.859 20.055 17.326 1.00 0.00 C ATOM 1784 O ILE B 48 11.941 20.858 17.119 1.00 0.00 O ATOM 1785 CB ILE B 48 11.731 17.755 17.324 1.00 0.00 C ATOM 1786 CG1 ILE B 48 11.461 16.446 18.108 1.00 0.00 C ATOM 1787 CG2 ILE B 48 12.412 17.425 15.984 1.00 0.00 C ATOM 1788 CD1 ILE B 48 10.199 15.711 17.622 1.00 0.00 C ATOM 0 H ILE B 48 10.999 18.888 19.469 1.00 0.00 H new ATOM 0 HA ILE B 48 13.555 18.260 18.286 1.00 0.00 H new ATOM 0 HB ILE B 48 10.766 18.231 17.153 1.00 0.00 H new ATOM 0 HG12 ILE B 48 12.322 15.785 18.010 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.356 16.677 19.168 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.797 16.717 15.428 1.00 0.00 H new ATOM 0 HG22 ILE B 48 12.530 18.339 15.401 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.391 16.985 16.172 1.00 0.00 H new ATOM 0 HD11 ILE B 48 10.060 14.802 18.207 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.331 16.358 17.745 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.312 15.452 16.569 1.00 0.00 H new ATOM 1800 N GLY B 49 14.107 20.269 16.898 1.00 0.00 N ATOM 1801 CA GLY B 49 14.563 21.509 16.253 1.00 0.00 C ATOM 1802 C GLY B 49 14.732 21.414 14.734 1.00 0.00 C ATOM 1803 O GLY B 49 14.444 22.384 14.026 1.00 0.00 O ATOM 0 H GLY B 49 14.846 19.572 16.991 1.00 0.00 H new ATOM 0 HA2 GLY B 49 13.850 22.303 16.477 1.00 0.00 H new ATOM 0 HA3 GLY B 49 15.516 21.803 16.693 1.00 0.00 H new ATOM 1807 N ARG B 50 15.184 20.267 14.208 1.00 0.00 N ATOM 1808 CA ARG B 50 15.482 20.067 12.770 1.00 0.00 C ATOM 1809 C ARG B 50 15.434 18.584 12.401 1.00 0.00 C ATOM 1810 O ARG B 50 15.826 17.748 13.210 1.00 0.00 O ATOM 1811 CB ARG B 50 16.864 20.689 12.478 1.00 0.00 C ATOM 1812 CG ARG B 50 17.404 20.476 11.053 1.00 0.00 C ATOM 1813 CD ARG B 50 18.711 21.254 10.872 1.00 0.00 C ATOM 1814 NE ARG B 50 19.229 21.100 9.499 1.00 0.00 N ATOM 1815 CZ ARG B 50 20.109 20.233 9.041 1.00 0.00 C ATOM 1816 NH1 ARG B 50 20.716 19.361 9.795 1.00 0.00 N1+ ATOM 1817 NH2 ARG B 50 20.365 20.211 7.769 1.00 0.00 N ATOM 0 H ARG B 50 15.358 19.435 14.772 1.00 0.00 H new ATOM 0 HA ARG B 50 14.728 20.559 12.156 1.00 0.00 H new ATOM 0 HB2 ARG B 50 16.807 21.761 12.669 1.00 0.00 H new ATOM 0 HB3 ARG B 50 17.584 20.277 13.185 1.00 0.00 H new ATOM 0 HG2 ARG B 50 17.574 19.414 10.874 1.00 0.00 H new ATOM 0 HG3 ARG B 50 16.668 20.809 10.322 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.543 22.310 11.085 1.00 0.00 H new ATOM 0 HD3 ARG B 50 19.453 20.898 11.587 1.00 0.00 H new ATOM 0 HE ARG B 50 18.855 21.754 8.811 1.00 0.00 H new ATOM 0 HH11 ARG B 50 20.518 19.326 10.795 1.00 0.00 H new ATOM 0 HH12 ARG B 50 21.389 18.713 9.385 1.00 0.00 H new ATOM 0 HH21 ARG B 50 19.888 20.858 7.141 1.00 0.00 H new ATOM 0 HH22 ARG B 50 21.043 19.547 7.397 1.00 0.00 H new ATOM 1831 N VAL B 51 15.025 18.256 11.172 1.00 0.00 N ATOM 1832 CA VAL B 51 15.182 16.913 10.583 1.00 0.00 C ATOM 1833 C VAL B 51 15.807 17.030 9.188 1.00 0.00 C ATOM 1834 O VAL B 51 15.383 17.861 8.384 1.00 0.00 O ATOM 1835 CB VAL B 51 13.865 16.110 10.540 1.00 0.00 C ATOM 1836 CG1 VAL B 51 14.129 14.641 10.177 1.00 0.00 C ATOM 1837 CG2 VAL B 51 13.087 16.164 11.865 1.00 0.00 C ATOM 0 H VAL B 51 14.569 18.920 10.546 1.00 0.00 H new ATOM 0 HA VAL B 51 15.850 16.349 11.234 1.00 0.00 H new ATOM 0 HB VAL B 51 13.254 16.582 9.771 1.00 0.00 H new ATOM 0 HG11 VAL B 51 13.185 14.097 10.153 1.00 0.00 H new ATOM 0 HG12 VAL B 51 14.603 14.588 9.197 1.00 0.00 H new ATOM 0 HG13 VAL B 51 14.787 14.194 10.923 1.00 0.00 H new ATOM 0 HG21 VAL B 51 12.171 15.581 11.773 1.00 0.00 H new ATOM 0 HG22 VAL B 51 13.701 15.750 12.665 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.837 17.199 12.098 1.00 0.00 H new ATOM 1847 N ASP B 52 16.819 16.210 8.901 1.00 0.00 N ATOM 1848 CA ASP B 52 17.619 16.237 7.672 1.00 0.00 C ATOM 1849 C ASP B 52 17.626 14.863 6.995 1.00 0.00 C ATOM 1850 O ASP B 52 18.324 13.935 7.410 1.00 0.00 O ATOM 1851 CB ASP B 52 19.029 16.757 8.011 1.00 0.00 C ATOM 1852 CG ASP B 52 19.908 17.035 6.781 1.00 0.00 C ATOM 1853 OD1 ASP B 52 19.508 16.725 5.634 1.00 0.00 O ATOM 1854 OD2 ASP B 52 20.998 17.631 6.957 1.00 0.00 O1- ATOM 0 H ASP B 52 17.118 15.477 9.545 1.00 0.00 H new ATOM 0 HA ASP B 52 17.177 16.919 6.945 1.00 0.00 H new ATOM 0 HB2 ASP B 52 18.936 17.674 8.593 1.00 0.00 H new ATOM 0 HB3 ASP B 52 19.531 16.027 8.645 1.00 0.00 H new ATOM 1859 N LEU B 53 16.805 14.728 5.951 1.00 0.00 N ATOM 1860 CA LEU B 53 16.520 13.455 5.272 1.00 0.00 C ATOM 1861 C LEU B 53 17.601 13.066 4.245 1.00 0.00 C ATOM 1862 O LEU B 53 17.562 11.954 3.706 1.00 0.00 O ATOM 1863 CB LEU B 53 15.099 13.490 4.675 1.00 0.00 C ATOM 1864 CG LEU B 53 13.911 13.652 5.658 1.00 0.00 C ATOM 1865 CD1 LEU B 53 13.982 12.671 6.830 1.00 0.00 C ATOM 1866 CD2 LEU B 53 13.711 15.064 6.220 1.00 0.00 C ATOM 0 H LEU B 53 16.306 15.518 5.542 1.00 0.00 H new ATOM 0 HA LEU B 53 16.553 12.658 6.014 1.00 0.00 H new ATOM 0 HB2 LEU B 53 15.056 14.310 3.958 1.00 0.00 H new ATOM 0 HB3 LEU B 53 14.947 12.568 4.114 1.00 0.00 H new ATOM 0 HG LEU B 53 13.049 13.430 5.028 1.00 0.00 H new ATOM 0 HD11 LEU B 53 13.127 12.827 7.488 1.00 0.00 H new ATOM 0 HD12 LEU B 53 13.966 11.649 6.451 1.00 0.00 H new ATOM 0 HD13 LEU B 53 14.904 12.837 7.388 1.00 0.00 H new ATOM 0 HD21 LEU B 53 12.856 15.069 6.896 1.00 0.00 H new ATOM 0 HD22 LEU B 53 14.605 15.369 6.764 1.00 0.00 H new ATOM 0 HD23 LEU B 53 13.530 15.760 5.400 1.00 0.00 H new ATOM 1878 N ARG B 54 18.606 13.928 4.021 1.00 0.00 N ATOM 1879 CA ARG B 54 19.850 13.589 3.291 1.00 0.00 C ATOM 1880 C ARG B 54 20.680 12.530 4.030 1.00 0.00 C ATOM 1881 O ARG B 54 21.409 11.772 3.384 1.00 0.00 O ATOM 1882 CB ARG B 54 20.718 14.841 3.103 1.00 0.00 C ATOM 1883 CG ARG B 54 20.000 15.995 2.397 1.00 0.00 C ATOM 1884 CD ARG B 54 20.953 17.189 2.262 1.00 0.00 C ATOM 1885 NE ARG B 54 20.244 18.435 1.904 1.00 0.00 N ATOM 1886 CZ ARG B 54 19.696 19.280 2.761 1.00 0.00 C ATOM 1887 NH1 ARG B 54 19.565 19.026 4.025 1.00 0.00 N1+ ATOM 1888 NH2 ARG B 54 19.249 20.441 2.381 1.00 0.00 N ATOM 0 H ARG B 54 18.582 14.895 4.344 1.00 0.00 H new ATOM 0 HA ARG B 54 19.547 13.187 2.324 1.00 0.00 H new ATOM 0 HB2 ARG B 54 21.061 15.183 4.079 1.00 0.00 H new ATOM 0 HB3 ARG B 54 21.605 14.573 2.529 1.00 0.00 H new ATOM 0 HG2 ARG B 54 19.659 15.676 1.412 1.00 0.00 H new ATOM 0 HG3 ARG B 54 19.115 16.286 2.962 1.00 0.00 H new ATOM 0 HD2 ARG B 54 21.486 17.334 3.202 1.00 0.00 H new ATOM 0 HD3 ARG B 54 21.702 16.969 1.502 1.00 0.00 H new ATOM 0 HE ARG B 54 20.171 18.663 0.912 1.00 0.00 H new ATOM 0 HH11 ARG B 54 19.893 18.137 4.403 1.00 0.00 H new ATOM 0 HH12 ARG B 54 19.134 19.715 4.642 1.00 0.00 H new ATOM 0 HH21 ARG B 54 19.317 20.718 1.402 1.00 0.00 H new ATOM 0 HH22 ARG B 54 18.831 21.074 3.062 1.00 0.00 H new ATOM 1902 N SER B 55 20.554 12.470 5.364 1.00 0.00 N ATOM 1903 CA SER B 55 21.341 11.607 6.265 1.00 0.00 C ATOM 1904 C SER B 55 20.498 10.824 7.282 1.00 0.00 C ATOM 1905 O SER B 55 21.012 9.905 7.919 1.00 0.00 O ATOM 1906 CB SER B 55 22.395 12.446 7.006 1.00 0.00 C ATOM 1907 OG SER B 55 23.248 13.111 6.085 1.00 0.00 O ATOM 0 H SER B 55 19.876 13.042 5.867 1.00 0.00 H new ATOM 0 HA SER B 55 21.817 10.863 5.626 1.00 0.00 H new ATOM 0 HB2 SER B 55 21.901 13.178 7.645 1.00 0.00 H new ATOM 0 HB3 SER B 55 22.987 11.803 7.657 1.00 0.00 H new ATOM 0 HG SER B 55 23.910 13.641 6.576 1.00 0.00 H new ATOM 1913 N GLY B 56 19.210 11.154 7.447 1.00 0.00 N ATOM 1914 CA GLY B 56 18.310 10.506 8.407 1.00 0.00 C ATOM 1915 C GLY B 56 18.573 10.930 9.855 1.00 0.00 C ATOM 1916 O GLY B 56 18.598 10.080 10.743 1.00 0.00 O ATOM 0 H GLY B 56 18.758 11.892 6.907 1.00 0.00 H new ATOM 0 HA2 GLY B 56 17.278 10.743 8.147 1.00 0.00 H new ATOM 0 HA3 GLY B 56 18.419 9.425 8.326 1.00 0.00 H new ATOM 1920 N VAL B 57 18.830 12.219 10.098 1.00 0.00 N ATOM 1921 CA VAL B 57 19.190 12.766 11.421 1.00 0.00 C ATOM 1922 C VAL B 57 18.147 13.766 11.927 1.00 0.00 C ATOM 1923 O VAL B 57 17.691 14.646 11.192 1.00 0.00 O ATOM 1924 CB VAL B 57 20.614 13.363 11.432 1.00 0.00 C ATOM 1925 CG1 VAL B 57 21.023 13.838 12.833 1.00 0.00 C ATOM 1926 CG2 VAL B 57 21.651 12.327 10.985 1.00 0.00 C ATOM 0 H VAL B 57 18.794 12.931 9.368 1.00 0.00 H new ATOM 0 HA VAL B 57 19.194 11.929 12.119 1.00 0.00 H new ATOM 0 HB VAL B 57 20.591 14.208 10.743 1.00 0.00 H new ATOM 0 HG11 VAL B 57 22.031 14.251 12.797 1.00 0.00 H new ATOM 0 HG12 VAL B 57 20.328 14.605 13.174 1.00 0.00 H new ATOM 0 HG13 VAL B 57 21.001 12.995 13.524 1.00 0.00 H new ATOM 0 HG21 VAL B 57 22.644 12.775 11.003 1.00 0.00 H new ATOM 0 HG22 VAL B 57 21.627 11.473 11.661 1.00 0.00 H new ATOM 0 HG23 VAL B 57 21.421 11.995 9.973 1.00 0.00 H new ATOM 1936 N ILE B 58 17.791 13.622 13.203 1.00 0.00 N ATOM 1937 CA ILE B 58 16.809 14.409 13.955 1.00 0.00 C ATOM 1938 C ILE B 58 17.554 15.142 15.086 1.00 0.00 C ATOM 1939 O ILE B 58 18.113 14.509 15.983 1.00 0.00 O ATOM 1940 CB ILE B 58 15.714 13.452 14.488 1.00 0.00 C ATOM 1941 CG1 ILE B 58 14.894 12.799 13.350 1.00 0.00 C ATOM 1942 CG2 ILE B 58 14.782 14.173 15.476 1.00 0.00 C ATOM 1943 CD1 ILE B 58 14.241 11.471 13.750 1.00 0.00 C ATOM 0 H ILE B 58 18.213 12.897 13.784 1.00 0.00 H new ATOM 0 HA ILE B 58 16.317 15.156 13.332 1.00 0.00 H new ATOM 0 HB ILE B 58 16.231 12.650 15.015 1.00 0.00 H new ATOM 0 HG12 ILE B 58 14.118 13.493 13.028 1.00 0.00 H new ATOM 0 HG13 ILE B 58 15.547 12.630 12.494 1.00 0.00 H new ATOM 0 HG21 ILE B 58 14.023 13.477 15.834 1.00 0.00 H new ATOM 0 HG22 ILE B 58 15.363 14.542 16.321 1.00 0.00 H new ATOM 0 HG23 ILE B 58 14.298 15.011 14.974 1.00 0.00 H new ATOM 0 HD11 ILE B 58 13.683 11.071 12.904 1.00 0.00 H new ATOM 0 HD12 ILE B 58 15.013 10.760 14.044 1.00 0.00 H new ATOM 0 HD13 ILE B 58 13.562 11.637 14.587 1.00 0.00 H new ATOM 1955 N SER B 59 17.597 16.473 15.037 1.00 0.00 N ATOM 1956 CA SER B 59 18.334 17.325 15.985 1.00 0.00 C ATOM 1957 C SER B 59 17.398 18.027 16.968 1.00 0.00 C ATOM 1958 O SER B 59 16.375 18.596 16.572 1.00 0.00 O ATOM 1959 CB SER B 59 19.187 18.329 15.213 1.00 0.00 C ATOM 1960 OG SER B 59 20.028 19.059 16.088 1.00 0.00 O ATOM 0 H SER B 59 17.109 17.008 14.319 1.00 0.00 H new ATOM 0 HA SER B 59 18.988 16.690 16.582 1.00 0.00 H new ATOM 0 HB2 SER B 59 19.793 17.805 14.474 1.00 0.00 H new ATOM 0 HB3 SER B 59 18.541 19.016 14.666 1.00 0.00 H new ATOM 0 HG SER B 59 20.566 19.694 15.571 1.00 0.00 H new ATOM 1966 N LEU B 60 17.738 17.981 18.256 1.00 0.00 N ATOM 1967 CA LEU B 60 16.952 18.518 19.370 1.00 0.00 C ATOM 1968 C LEU B 60 17.538 19.850 19.881 1.00 0.00 C ATOM 1969 O LEU B 60 18.751 20.059 19.869 1.00 0.00 O ATOM 1970 CB LEU B 60 16.890 17.462 20.489 1.00 0.00 C ATOM 1971 CG LEU B 60 15.938 16.257 20.294 1.00 0.00 C ATOM 1972 CD1 LEU B 60 15.872 15.654 18.893 1.00 0.00 C ATOM 1973 CD2 LEU B 60 16.378 15.136 21.237 1.00 0.00 C ATOM 0 H LEU B 60 18.608 17.549 18.567 1.00 0.00 H new ATOM 0 HA LEU B 60 15.941 18.736 19.026 1.00 0.00 H new ATOM 0 HB2 LEU B 60 17.897 17.072 20.638 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.605 17.968 21.411 1.00 0.00 H new ATOM 0 HG LEU B 60 14.946 16.660 20.496 1.00 0.00 H new ATOM 0 HD11 LEU B 60 15.171 14.819 18.889 1.00 0.00 H new ATOM 0 HD12 LEU B 60 15.537 16.413 18.186 1.00 0.00 H new ATOM 0 HD13 LEU B 60 16.861 15.299 18.603 1.00 0.00 H new ATOM 0 HD21 LEU B 60 15.718 14.277 21.114 1.00 0.00 H new ATOM 0 HD22 LEU B 60 17.402 14.844 21.002 1.00 0.00 H new ATOM 0 HD23 LEU B 60 16.328 15.487 22.268 1.00 0.00 H new ATOM 1985 N ILE B 61 16.666 20.733 20.367 1.00 0.00 N ATOM 1986 CA ILE B 61 16.980 22.092 20.863 1.00 0.00 C ATOM 1987 C ILE B 61 16.255 22.388 22.182 1.00 0.00 C ATOM 1988 O ILE B 61 15.271 21.729 22.514 1.00 0.00 O ATOM 1989 CB ILE B 61 16.681 23.168 19.783 1.00 0.00 C ATOM 1990 CG1 ILE B 61 15.227 23.206 19.252 1.00 0.00 C ATOM 1991 CG2 ILE B 61 17.640 23.002 18.594 1.00 0.00 C ATOM 1992 CD1 ILE B 61 14.239 23.989 20.126 1.00 0.00 C ATOM 0 H ILE B 61 15.671 20.519 20.433 1.00 0.00 H new ATOM 0 HA ILE B 61 18.049 22.132 21.071 1.00 0.00 H new ATOM 0 HB ILE B 61 16.831 24.117 20.298 1.00 0.00 H new ATOM 0 HG12 ILE B 61 15.232 23.644 18.254 1.00 0.00 H new ATOM 0 HG13 ILE B 61 14.866 22.182 19.150 1.00 0.00 H new ATOM 0 HG21 ILE B 61 17.422 23.761 17.842 1.00 0.00 H new ATOM 0 HG22 ILE B 61 18.668 23.116 18.937 1.00 0.00 H new ATOM 0 HG23 ILE B 61 17.511 22.012 18.158 1.00 0.00 H new ATOM 0 HD11 ILE B 61 13.248 23.958 19.672 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.197 23.541 21.119 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.568 25.025 20.209 1.00 0.00 H new ATOM 2004 N GLU B 62 16.726 23.374 22.947 1.00 0.00 N ATOM 2005 CA GLU B 62 16.109 23.811 24.204 1.00 0.00 C ATOM 2006 C GLU B 62 14.772 24.549 23.967 1.00 0.00 C ATOM 2007 O GLU B 62 14.699 25.505 23.190 1.00 0.00 O ATOM 2008 CB GLU B 62 17.067 24.700 25.017 1.00 0.00 C ATOM 2009 CG GLU B 62 18.424 24.054 25.345 1.00 0.00 C ATOM 2010 CD GLU B 62 19.540 24.334 24.310 1.00 0.00 C ATOM 2011 OE1 GLU B 62 20.735 24.289 24.694 1.00 0.00 O ATOM 2012 OE2 GLU B 62 19.254 24.578 23.112 1.00 0.00 O1- ATOM 0 H GLU B 62 17.564 23.903 22.707 1.00 0.00 H new ATOM 0 HA GLU B 62 15.897 22.909 24.778 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.244 25.622 24.462 1.00 0.00 H new ATOM 0 HB3 GLU B 62 16.578 24.978 25.950 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.754 24.410 26.321 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.287 22.976 25.429 1.00 0.00 H new ATOM 2019 N GLU B 63 13.704 24.104 24.643 1.00 0.00 N ATOM 2020 CA GLU B 63 12.321 24.563 24.408 1.00 0.00 C ATOM 2021 C GLU B 63 12.004 25.963 24.985 1.00 0.00 C ATOM 2022 O GLU B 63 10.993 26.564 24.617 1.00 0.00 O ATOM 2023 CB GLU B 63 11.339 23.481 24.899 1.00 0.00 C ATOM 2024 CG GLU B 63 11.213 23.339 26.428 1.00 0.00 C ATOM 2025 CD GLU B 63 10.057 24.159 27.035 1.00 0.00 C ATOM 2026 OE1 GLU B 63 10.302 24.900 28.020 1.00 0.00 O ATOM 2027 OE2 GLU B 63 8.897 24.059 26.564 1.00 0.00 O1- ATOM 0 H GLU B 63 13.774 23.404 25.381 1.00 0.00 H new ATOM 0 HA GLU B 63 12.201 24.699 23.333 1.00 0.00 H new ATOM 0 HB2 GLU B 63 10.352 23.699 24.490 1.00 0.00 H new ATOM 0 HB3 GLU B 63 11.650 22.521 24.487 1.00 0.00 H new ATOM 0 HG2 GLU B 63 11.069 22.287 26.675 1.00 0.00 H new ATOM 0 HG3 GLU B 63 12.149 23.650 26.891 1.00 0.00 H new