USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 851 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.16) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -64:sc= 0.103 USER MOD Single : A 41 HIS : no HD1:sc= -0.025 X(o=-0.025,f=-0.025) 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 164:sc= -0.0121 (180deg=-0.71) USER MOD Single : B 5 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.16) USER MOD Single : B 9 THR OG1 : rot -179:sc= 0.686 USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 HIS : no HD1:sc= 0 X(o=0,f=0) 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 10.656 11.531 3.505 1.00 0.00 N ATOM 88 CA ALA A 4 9.562 11.749 4.453 1.00 0.00 C ATOM 89 C ALA A 4 8.449 12.637 3.863 1.00 0.00 C ATOM 90 O ALA A 4 8.618 13.239 2.795 1.00 0.00 O ATOM 91 CB ALA A 4 10.155 12.352 5.734 1.00 0.00 C ATOM 0 HA ALA A 4 9.084 10.796 4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.358 12.524 6.458 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.886 11.662 6.156 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.642 13.298 5.499 1.00 0.00 H new ATOM 97 N LYS A 5 7.331 12.785 4.585 1.00 0.00 N ATOM 98 CA LYS A 5 6.344 13.859 4.366 1.00 0.00 C ATOM 99 C LYS A 5 6.055 14.618 5.661 1.00 0.00 C ATOM 100 O LYS A 5 6.116 14.034 6.740 1.00 0.00 O ATOM 101 CB LYS A 5 5.071 13.320 3.687 1.00 0.00 C ATOM 102 CG LYS A 5 4.174 12.428 4.571 1.00 0.00 C ATOM 103 CD LYS A 5 2.845 12.155 3.855 1.00 0.00 C ATOM 104 CE LYS A 5 1.878 11.374 4.748 1.00 0.00 C ATOM 105 NZ LYS A 5 0.528 11.307 4.140 1.00 0.00 N1+ ATOM 0 H LYS A 5 7.080 12.156 5.348 1.00 0.00 H new ATOM 0 HA LYS A 5 6.775 14.583 3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.480 14.167 3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.364 12.750 2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.681 11.488 4.787 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.989 12.917 5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.388 13.100 3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.032 11.593 2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.259 10.365 4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.817 11.850 5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.136 10.878 4.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.207 12.267 3.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.565 10.729 3.276 1.00 0.00 H new ATOM 119 N VAL A 6 5.717 15.900 5.553 1.00 0.00 N ATOM 120 CA VAL A 6 5.264 16.761 6.660 1.00 0.00 C ATOM 121 C VAL A 6 3.746 16.970 6.586 1.00 0.00 C ATOM 122 O VAL A 6 3.207 17.189 5.500 1.00 0.00 O ATOM 123 CB VAL A 6 6.032 18.103 6.657 1.00 0.00 C ATOM 124 CG1 VAL A 6 5.446 19.148 7.611 1.00 0.00 C ATOM 125 CG2 VAL A 6 7.502 17.902 7.061 1.00 0.00 C ATOM 0 H VAL A 6 5.750 16.394 4.661 1.00 0.00 H new ATOM 0 HA VAL A 6 5.483 16.265 7.606 1.00 0.00 H new ATOM 0 HB VAL A 6 5.944 18.468 5.634 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.036 20.063 7.555 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.416 19.363 7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.469 18.763 8.631 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.017 18.863 7.050 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.549 17.477 8.063 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.984 17.224 6.356 1.00 0.00 H new ATOM 135 N VAL A 7 3.060 16.938 7.732 1.00 0.00 N ATOM 136 CA VAL A 7 1.632 17.267 7.883 1.00 0.00 C ATOM 137 C VAL A 7 1.401 18.233 9.053 1.00 0.00 C ATOM 138 O VAL A 7 2.113 18.185 10.062 1.00 0.00 O ATOM 139 CB VAL A 7 0.762 15.988 7.978 1.00 0.00 C ATOM 140 CG1 VAL A 7 1.081 15.093 9.181 1.00 0.00 C ATOM 141 CG2 VAL A 7 -0.742 16.307 8.039 1.00 0.00 C ATOM 0 H VAL A 7 3.496 16.673 8.615 1.00 0.00 H new ATOM 0 HA VAL A 7 1.311 17.790 6.983 1.00 0.00 H new ATOM 0 HB VAL A 7 1.011 15.450 7.063 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.426 14.222 9.170 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.120 14.767 9.127 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.924 15.653 10.103 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.309 15.378 8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.948 16.921 8.916 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.036 16.848 7.140 1.00 0.00 H new ATOM 151 N LEU A 8 0.411 19.119 8.924 1.00 0.00 N ATOM 152 CA LEU A 8 0.011 20.091 9.948 1.00 0.00 C ATOM 153 C LEU A 8 -1.506 20.327 9.966 1.00 0.00 C ATOM 154 O LEU A 8 -2.177 20.172 8.939 1.00 0.00 O ATOM 155 CB LEU A 8 0.797 21.401 9.746 1.00 0.00 C ATOM 156 CG LEU A 8 0.467 22.160 8.441 1.00 0.00 C ATOM 157 CD1 LEU A 8 -0.576 23.261 8.656 1.00 0.00 C ATOM 158 CD2 LEU A 8 1.722 22.807 7.857 1.00 0.00 C ATOM 0 H LEU A 8 -0.154 19.183 8.077 1.00 0.00 H new ATOM 0 HA LEU A 8 0.257 19.682 10.928 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.602 22.060 10.592 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.863 21.174 9.758 1.00 0.00 H new ATOM 0 HG LEU A 8 0.063 21.417 7.753 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.774 23.765 7.710 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.499 22.819 9.032 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.199 23.983 9.380 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.465 23.336 6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.137 23.512 8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.460 22.036 7.637 1.00 0.00 H new ATOM 266 N VAL A 16 -2.892 20.549 5.907 1.00 0.00 N ATOM 267 CA VAL A 16 -1.923 20.770 4.816 1.00 0.00 C ATOM 268 C VAL A 16 -0.833 19.691 4.867 1.00 0.00 C ATOM 269 O VAL A 16 -0.394 19.302 5.950 1.00 0.00 O ATOM 270 CB VAL A 16 -1.312 22.192 4.885 1.00 0.00 C ATOM 271 CG1 VAL A 16 -0.386 22.485 3.700 1.00 0.00 C ATOM 272 CG2 VAL A 16 -2.381 23.295 4.931 1.00 0.00 C ATOM 0 HA VAL A 16 -2.446 20.694 3.863 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.740 22.202 5.813 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.017 23.493 3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.433 21.766 3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.949 22.404 2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.896 24.270 4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.999 23.240 4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.007 23.158 5.812 1.00 0.00 H new ATOM 282 N GLU A 17 -0.397 19.205 3.703 1.00 0.00 N ATOM 283 CA GLU A 17 0.662 18.190 3.556 1.00 0.00 C ATOM 284 C GLU A 17 1.730 18.612 2.540 1.00 0.00 C ATOM 285 O GLU A 17 1.437 19.262 1.530 1.00 0.00 O ATOM 286 CB GLU A 17 0.072 16.825 3.158 1.00 0.00 C ATOM 287 CG GLU A 17 -0.853 16.221 4.225 1.00 0.00 C ATOM 288 CD GLU A 17 -1.323 14.803 3.843 1.00 0.00 C ATOM 289 OE1 GLU A 17 -0.474 13.889 3.714 1.00 0.00 O ATOM 290 OE2 GLU A 17 -2.552 14.580 3.695 1.00 0.00 O1- ATOM 0 H GLU A 17 -0.778 19.512 2.808 1.00 0.00 H new ATOM 0 HA GLU A 17 1.142 18.099 4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.485 16.936 2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.888 16.130 2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.330 16.185 5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.721 16.867 4.361 1.00 0.00 H new ATOM 297 N ILE A 18 2.976 18.206 2.795 1.00 0.00 N ATOM 298 CA ILE A 18 4.161 18.461 1.964 1.00 0.00 C ATOM 299 C ILE A 18 4.901 17.132 1.766 1.00 0.00 C ATOM 300 O ILE A 18 5.458 16.586 2.723 1.00 0.00 O ATOM 301 CB ILE A 18 5.076 19.543 2.598 1.00 0.00 C ATOM 302 CG1 ILE A 18 4.355 20.883 2.886 1.00 0.00 C ATOM 303 CG2 ILE A 18 6.280 19.810 1.674 1.00 0.00 C ATOM 304 CD1 ILE A 18 3.809 20.977 4.319 1.00 0.00 C ATOM 0 H ILE A 18 3.200 17.663 3.629 1.00 0.00 H new ATOM 0 HA ILE A 18 3.856 18.855 0.994 1.00 0.00 H new ATOM 0 HB ILE A 18 5.396 19.143 3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.048 21.706 2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.532 21.005 2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.921 20.570 2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.848 18.889 1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.924 20.160 0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.315 21.939 4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.092 20.173 4.489 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.631 20.886 5.028 1.00 0.00 H new ATOM 316 N GLY A 19 4.872 16.582 0.553 1.00 0.00 N ATOM 317 CA GLY A 19 5.459 15.272 0.228 1.00 0.00 C ATOM 318 C GLY A 19 6.932 15.320 -0.195 1.00 0.00 C ATOM 319 O GLY A 19 7.428 16.351 -0.654 1.00 0.00 O ATOM 0 H GLY A 19 4.434 17.037 -0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.365 14.621 1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.879 14.818 -0.575 1.00 0.00 H new ATOM 323 N ASP A 20 7.624 14.181 -0.071 1.00 0.00 N ATOM 324 CA ASP A 20 9.002 13.938 -0.548 1.00 0.00 C ATOM 325 C ASP A 20 10.025 14.996 -0.059 1.00 0.00 C ATOM 326 O ASP A 20 10.785 15.609 -0.821 1.00 0.00 O ATOM 327 CB ASP A 20 9.013 13.672 -2.064 1.00 0.00 C ATOM 328 CG ASP A 20 8.162 12.465 -2.516 1.00 0.00 C ATOM 329 OD1 ASP A 20 7.882 11.552 -1.704 1.00 0.00 O ATOM 330 OD2 ASP A 20 7.801 12.409 -3.714 1.00 0.00 O1- ATOM 0 H ASP A 20 7.224 13.361 0.386 1.00 0.00 H new ATOM 0 HA ASP A 20 9.362 13.023 -0.077 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.655 14.564 -2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.043 13.512 -2.383 1.00 0.00 H new ATOM 335 N VAL A 21 10.008 15.206 1.256 1.00 0.00 N ATOM 336 CA VAL A 21 10.813 16.160 2.028 1.00 0.00 C ATOM 337 C VAL A 21 12.273 15.702 2.162 1.00 0.00 C ATOM 338 O VAL A 21 12.549 14.606 2.652 1.00 0.00 O ATOM 339 CB VAL A 21 10.157 16.347 3.414 1.00 0.00 C ATOM 340 CG1 VAL A 21 11.009 17.168 4.387 1.00 0.00 C ATOM 341 CG2 VAL A 21 8.799 17.044 3.247 1.00 0.00 C ATOM 0 H VAL A 21 9.382 14.673 1.860 1.00 0.00 H new ATOM 0 HA VAL A 21 10.839 17.113 1.500 1.00 0.00 H new ATOM 0 HB VAL A 21 10.046 15.350 3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.487 17.259 5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.965 16.669 4.543 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.181 18.161 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.335 17.176 4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.945 18.018 2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.151 16.433 2.618 1.00 0.00 H new ATOM 351 N LEU A 22 13.215 16.572 1.788 1.00 0.00 N ATOM 352 CA LEU A 22 14.648 16.420 2.081 1.00 0.00 C ATOM 353 C LEU A 22 15.060 17.033 3.435 1.00 0.00 C ATOM 354 O LEU A 22 16.007 16.560 4.060 1.00 0.00 O ATOM 355 CB LEU A 22 15.485 17.074 0.961 1.00 0.00 C ATOM 356 CG LEU A 22 15.422 16.376 -0.411 1.00 0.00 C ATOM 357 CD1 LEU A 22 16.266 17.180 -1.406 1.00 0.00 C ATOM 358 CD2 LEU A 22 15.995 14.954 -0.383 1.00 0.00 C ATOM 0 H LEU A 22 13.001 17.420 1.262 1.00 0.00 H new ATOM 0 HA LEU A 22 14.839 15.348 2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.154 18.105 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 22 16.526 17.109 1.283 1.00 0.00 H new ATOM 0 HG LEU A 22 14.371 16.321 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.232 16.699 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.869 18.192 -1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.298 17.222 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.923 14.513 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 22 17.040 14.989 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 22 15.429 14.348 0.324 1.00 0.00 H new ATOM 370 N GLU A 23 14.359 18.070 3.896 1.00 0.00 N ATOM 371 CA GLU A 23 14.717 18.837 5.098 1.00 0.00 C ATOM 372 C GLU A 23 13.502 19.523 5.722 1.00 0.00 C ATOM 373 O GLU A 23 12.676 20.094 5.010 1.00 0.00 O ATOM 374 CB GLU A 23 15.795 19.874 4.724 1.00 0.00 C ATOM 375 CG GLU A 23 16.151 20.852 5.850 1.00 0.00 C ATOM 376 CD GLU A 23 17.270 21.824 5.446 1.00 0.00 C ATOM 377 OE1 GLU A 23 17.252 22.988 5.916 1.00 0.00 O ATOM 378 OE2 GLU A 23 18.240 21.404 4.780 1.00 0.00 O1- ATOM 0 H GLU A 23 13.512 18.409 3.440 1.00 0.00 H new ATOM 0 HA GLU A 23 15.107 18.148 5.847 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.699 19.347 4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.450 20.443 3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.263 21.419 6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.461 20.291 6.731 1.00 0.00 H new ATOM 385 N VAL A 24 13.434 19.542 7.057 1.00 0.00 N ATOM 386 CA VAL A 24 12.469 20.333 7.845 1.00 0.00 C ATOM 387 C VAL A 24 13.143 20.898 9.098 1.00 0.00 C ATOM 388 O VAL A 24 14.056 20.271 9.641 1.00 0.00 O ATOM 389 CB VAL A 24 11.215 19.504 8.176 1.00 0.00 C ATOM 390 CG1 VAL A 24 11.521 18.298 9.058 1.00 0.00 C ATOM 391 CG2 VAL A 24 10.100 20.329 8.831 1.00 0.00 C ATOM 0 H VAL A 24 14.065 18.993 7.641 1.00 0.00 H new ATOM 0 HA VAL A 24 12.134 21.179 7.246 1.00 0.00 H new ATOM 0 HB VAL A 24 10.861 19.154 7.206 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.600 17.751 9.259 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.228 17.644 8.547 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.955 18.636 9.999 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.245 19.685 9.038 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.465 20.759 9.764 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.796 21.130 8.157 1.00 0.00 H new ATOM 401 N ARG A 25 12.717 22.077 9.564 1.00 0.00 N ATOM 402 CA ARG A 25 13.242 22.718 10.780 1.00 0.00 C ATOM 403 C ARG A 25 12.256 23.689 11.425 1.00 0.00 C ATOM 404 O ARG A 25 11.575 24.439 10.728 1.00 0.00 O ATOM 405 CB ARG A 25 14.588 23.411 10.504 1.00 0.00 C ATOM 406 CG ARG A 25 14.596 24.262 9.221 1.00 0.00 C ATOM 407 CD ARG A 25 15.932 24.993 9.033 1.00 0.00 C ATOM 408 NE ARG A 25 16.310 25.024 7.612 1.00 0.00 N ATOM 409 CZ ARG A 25 16.222 26.006 6.740 1.00 0.00 C ATOM 410 NH1 ARG A 25 15.785 27.199 7.021 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 16.589 25.751 5.521 1.00 0.00 N ATOM 0 H ARG A 25 11.988 22.622 9.103 1.00 0.00 H new ATOM 0 HA ARG A 25 13.400 21.915 11.500 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.839 24.047 11.353 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.368 22.653 10.431 1.00 0.00 H new ATOM 0 HG2 ARG A 25 14.407 23.622 8.359 1.00 0.00 H new ATOM 0 HG3 ARG A 25 13.786 24.990 9.262 1.00 0.00 H new ATOM 0 HD2 ARG A 25 15.853 26.010 9.416 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.710 24.494 9.611 1.00 0.00 H new ATOM 0 HE ARG A 25 16.699 24.154 7.248 1.00 0.00 H new ATOM 0 HH11 ARG A 25 15.483 27.421 7.970 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.745 27.912 6.293 1.00 0.00 H new ATOM 0 HH21 ARG A 25 16.928 24.821 5.274 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.539 26.481 4.810 1.00 0.00 H new ATOM 425 N ALA A 26 12.218 23.690 12.756 1.00 0.00 N ATOM 426 CA ALA A 26 11.570 24.698 13.594 1.00 0.00 C ATOM 427 C ALA A 26 12.600 25.780 13.958 1.00 0.00 C ATOM 428 O ALA A 26 13.628 25.497 14.580 1.00 0.00 O ATOM 429 CB ALA A 26 10.974 24.005 14.823 1.00 0.00 C ATOM 0 H ALA A 26 12.659 22.953 13.306 1.00 0.00 H new ATOM 0 HA ALA A 26 10.753 25.192 13.068 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.487 24.745 15.458 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.242 23.263 14.503 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.768 23.512 15.384 1.00 0.00 H new ATOM 464 N ALA A 30 8.737 29.724 13.527 1.00 0.00 N ATOM 465 CA ALA A 30 8.104 29.155 12.335 1.00 0.00 C ATOM 466 C ALA A 30 8.725 27.803 11.961 1.00 0.00 C ATOM 467 O ALA A 30 9.906 27.582 12.227 1.00 0.00 O ATOM 468 CB ALA A 30 8.248 30.152 11.180 1.00 0.00 C ATOM 0 HA ALA A 30 7.049 28.976 12.543 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.781 29.742 10.285 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.761 31.090 11.446 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.305 30.335 10.987 1.00 0.00 H new ATOM 474 N VAL A 31 7.967 26.922 11.297 1.00 0.00 N ATOM 475 CA VAL A 31 8.539 25.753 10.609 1.00 0.00 C ATOM 476 C VAL A 31 8.829 26.080 9.146 1.00 0.00 C ATOM 477 O VAL A 31 8.018 26.724 8.477 1.00 0.00 O ATOM 478 CB VAL A 31 7.678 24.486 10.773 1.00 0.00 C ATOM 479 CG1 VAL A 31 8.192 23.303 9.943 1.00 0.00 C ATOM 480 CG2 VAL A 31 7.711 24.047 12.239 1.00 0.00 C ATOM 0 H VAL A 31 6.953 26.995 11.220 1.00 0.00 H new ATOM 0 HA VAL A 31 9.489 25.520 11.091 1.00 0.00 H new ATOM 0 HB VAL A 31 6.675 24.744 10.433 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.545 22.440 10.100 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.189 23.571 8.887 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.208 23.056 10.252 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.104 23.150 12.364 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.739 23.833 12.532 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.314 24.845 12.867 1.00 0.00 H new ATOM 490 N ARG A 32 9.972 25.615 8.631 1.00 0.00 N ATOM 491 CA ARG A 32 10.355 25.672 7.207 1.00 0.00 C ATOM 492 C ARG A 32 10.704 24.274 6.697 1.00 0.00 C ATOM 493 O ARG A 32 11.251 23.467 7.453 1.00 0.00 O ATOM 494 CB ARG A 32 11.512 26.662 6.997 1.00 0.00 C ATOM 495 CG ARG A 32 11.108 28.092 7.397 1.00 0.00 C ATOM 496 CD ARG A 32 12.231 29.100 7.125 1.00 0.00 C ATOM 497 NE ARG A 32 11.896 30.418 7.698 1.00 0.00 N ATOM 498 CZ ARG A 32 11.953 30.737 8.979 1.00 0.00 C ATOM 499 NH1 ARG A 32 12.564 29.992 9.850 1.00 0.00 N1+ ATOM 500 NH2 ARG A 32 11.369 31.808 9.432 1.00 0.00 N ATOM 0 H ARG A 32 10.685 25.172 9.211 1.00 0.00 H new ATOM 0 HA ARG A 32 9.507 26.035 6.626 1.00 0.00 H new ATOM 0 HB2 ARG A 32 12.373 26.347 7.586 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.819 26.648 5.951 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.215 28.385 6.845 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.849 28.114 8.456 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.165 28.737 7.555 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.390 29.194 6.051 1.00 0.00 H new ATOM 0 HE ARG A 32 11.595 31.145 7.049 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.020 29.129 9.553 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.588 30.270 10.831 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.856 32.418 8.795 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.424 32.038 10.424 1.00 0.00 H new ATOM 514 N VAL A 33 10.378 23.985 5.440 1.00 0.00 N ATOM 515 CA VAL A 33 10.488 22.645 4.838 1.00 0.00 C ATOM 516 C VAL A 33 10.888 22.722 3.355 1.00 0.00 C ATOM 517 O VAL A 33 10.467 23.632 2.640 1.00 0.00 O ATOM 518 CB VAL A 33 9.184 21.846 5.079 1.00 0.00 C ATOM 519 CG1 VAL A 33 7.954 22.473 4.422 1.00 0.00 C ATOM 520 CG2 VAL A 33 9.279 20.398 4.604 1.00 0.00 C ATOM 0 H VAL A 33 10.021 24.687 4.791 1.00 0.00 H new ATOM 0 HA VAL A 33 11.294 22.100 5.329 1.00 0.00 H new ATOM 0 HB VAL A 33 9.063 21.873 6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.077 21.861 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.800 23.476 4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.107 22.530 3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.335 19.888 4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.487 20.379 3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 33 10.082 19.892 5.139 1.00 0.00 H new ATOM 530 N THR A 34 11.701 21.763 2.899 1.00 0.00 N ATOM 531 CA THR A 34 12.276 21.695 1.541 1.00 0.00 C ATOM 532 C THR A 34 12.026 20.326 0.911 1.00 0.00 C ATOM 533 O THR A 34 12.300 19.289 1.526 1.00 0.00 O ATOM 534 CB THR A 34 13.797 21.961 1.563 1.00 0.00 C ATOM 535 OG1 THR A 34 14.108 23.166 2.232 1.00 0.00 O ATOM 536 CG2 THR A 34 14.399 22.055 0.161 1.00 0.00 C ATOM 0 H THR A 34 11.991 20.980 3.485 1.00 0.00 H new ATOM 0 HA THR A 34 11.785 22.466 0.948 1.00 0.00 H new ATOM 0 HB THR A 34 14.224 21.107 2.090 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.079 23.301 2.228 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.470 22.243 0.237 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.232 21.118 -0.370 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.925 22.871 -0.384 1.00 0.00 H new ATOM 544 N THR A 35 11.538 20.306 -0.329 1.00 0.00 N ATOM 545 CA THR A 35 11.255 19.082 -1.111 1.00 0.00 C ATOM 546 C THR A 35 12.403 18.706 -2.062 1.00 0.00 C ATOM 547 O THR A 35 13.307 19.509 -2.319 1.00 0.00 O ATOM 548 CB THR A 35 9.967 19.241 -1.934 1.00 0.00 C ATOM 549 OG1 THR A 35 10.135 20.200 -2.955 1.00 0.00 O ATOM 550 CG2 THR A 35 8.763 19.651 -1.088 1.00 0.00 C ATOM 0 H THR A 35 11.319 21.161 -0.841 1.00 0.00 H new ATOM 0 HA THR A 35 11.139 18.281 -0.381 1.00 0.00 H new ATOM 0 HB THR A 35 9.770 18.257 -2.360 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.301 21.079 -2.554 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.885 19.747 -1.727 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.577 18.892 -0.328 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.966 20.607 -0.605 1.00 0.00 H new ATOM 558 N LEU A 36 12.349 17.502 -2.647 1.00 0.00 N ATOM 559 CA LEU A 36 13.293 17.037 -3.679 1.00 0.00 C ATOM 560 C LEU A 36 13.302 17.877 -4.980 1.00 0.00 C ATOM 561 O LEU A 36 14.236 17.766 -5.777 1.00 0.00 O ATOM 562 CB LEU A 36 13.065 15.536 -3.958 1.00 0.00 C ATOM 563 CG LEU A 36 11.988 15.183 -5.001 1.00 0.00 C ATOM 564 CD1 LEU A 36 11.902 13.665 -5.170 1.00 0.00 C ATOM 565 CD2 LEU A 36 10.603 15.701 -4.617 1.00 0.00 C ATOM 0 H LEU A 36 11.637 16.810 -2.414 1.00 0.00 H new ATOM 0 HA LEU A 36 14.292 17.183 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.010 15.103 -4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.801 15.051 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 36 12.288 15.665 -5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.138 13.424 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.865 13.281 -5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.641 13.207 -4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.884 15.423 -5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.302 15.263 -3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.634 16.787 -4.524 1.00 0.00 H new ATOM 577 N PHE A 37 12.291 18.724 -5.195 1.00 0.00 N ATOM 578 CA PHE A 37 12.218 19.672 -6.317 1.00 0.00 C ATOM 579 C PHE A 37 13.059 20.946 -6.095 1.00 0.00 C ATOM 580 O PHE A 37 13.098 21.815 -6.966 1.00 0.00 O ATOM 581 CB PHE A 37 10.744 20.045 -6.559 1.00 0.00 C ATOM 582 CG PHE A 37 9.793 18.873 -6.724 1.00 0.00 C ATOM 583 CD1 PHE A 37 9.969 17.951 -7.775 1.00 0.00 C ATOM 584 CD2 PHE A 37 8.712 18.708 -5.838 1.00 0.00 C ATOM 585 CE1 PHE A 37 9.085 16.868 -7.929 1.00 0.00 C ATOM 586 CE2 PHE A 37 7.823 17.629 -5.991 1.00 0.00 C ATOM 587 CZ PHE A 37 8.012 16.708 -7.039 1.00 0.00 C ATOM 0 H PHE A 37 11.479 18.773 -4.580 1.00 0.00 H new ATOM 0 HA PHE A 37 12.641 19.178 -7.192 1.00 0.00 H new ATOM 0 HB2 PHE A 37 10.400 20.655 -5.724 1.00 0.00 H new ATOM 0 HB3 PHE A 37 10.686 20.666 -7.453 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.788 18.077 -8.467 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.564 19.415 -5.035 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.232 16.160 -8.731 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.997 17.507 -5.306 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.331 15.878 -7.158 1.00 0.00 H new ATOM 597 N ASP A 38 13.694 21.082 -4.923 1.00 0.00 N ATOM 598 CA ASP A 38 14.242 22.337 -4.373 1.00 0.00 C ATOM 599 C ASP A 38 13.176 23.436 -4.130 1.00 0.00 C ATOM 600 O ASP A 38 13.508 24.601 -3.906 1.00 0.00 O ATOM 601 CB ASP A 38 15.474 22.840 -5.162 1.00 0.00 C ATOM 602 CG ASP A 38 16.575 21.792 -5.393 1.00 0.00 C ATOM 603 OD1 ASP A 38 16.793 20.904 -4.535 1.00 0.00 O ATOM 604 OD2 ASP A 38 17.277 21.891 -6.427 1.00 0.00 O1- ATOM 0 H ASP A 38 13.848 20.287 -4.302 1.00 0.00 H new ATOM 0 HA ASP A 38 14.603 22.085 -3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.139 23.211 -6.130 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.906 23.687 -4.629 1.00 0.00 H new ATOM 609 N GLU A 39 11.886 23.073 -4.157 1.00 0.00 N ATOM 610 CA GLU A 39 10.773 23.930 -3.730 1.00 0.00 C ATOM 611 C GLU A 39 10.661 23.950 -2.196 1.00 0.00 C ATOM 612 O GLU A 39 10.932 22.949 -1.527 1.00 0.00 O ATOM 613 CB GLU A 39 9.465 23.489 -4.419 1.00 0.00 C ATOM 614 CG GLU A 39 8.187 24.268 -4.041 1.00 0.00 C ATOM 615 CD GLU A 39 8.223 25.757 -4.446 1.00 0.00 C ATOM 616 OE1 GLU A 39 9.084 26.517 -3.940 1.00 0.00 O ATOM 617 OE2 GLU A 39 7.376 26.184 -5.275 1.00 0.00 O1- ATOM 0 H GLU A 39 11.582 22.156 -4.483 1.00 0.00 H new ATOM 0 HA GLU A 39 10.968 24.956 -4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.605 23.567 -5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.300 22.435 -4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.329 23.792 -4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.035 24.198 -2.964 1.00 0.00 H new ATOM 624 N GLU A 40 10.255 25.090 -1.638 1.00 0.00 N ATOM 625 CA GLU A 40 10.237 25.366 -0.201 1.00 0.00 C ATOM 626 C GLU A 40 8.902 25.947 0.289 1.00 0.00 C ATOM 627 O GLU A 40 8.191 26.640 -0.450 1.00 0.00 O ATOM 628 CB GLU A 40 11.378 26.335 0.171 1.00 0.00 C ATOM 629 CG GLU A 40 12.776 25.752 -0.078 1.00 0.00 C ATOM 630 CD GLU A 40 13.907 26.760 0.231 1.00 0.00 C ATOM 631 OE1 GLU A 40 13.767 27.608 1.147 1.00 0.00 O ATOM 632 OE2 GLU A 40 14.964 26.711 -0.444 1.00 0.00 O1- ATOM 0 H GLU A 40 9.917 25.876 -2.194 1.00 0.00 H new ATOM 0 HA GLU A 40 10.374 24.405 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.267 27.254 -0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.287 26.606 1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.909 24.863 0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.853 25.434 -1.118 1.00 0.00 H new ATOM 639 N HIS A 41 8.588 25.710 1.566 1.00 0.00 N ATOM 640 CA HIS A 41 7.386 26.203 2.255 1.00 0.00 C ATOM 641 C HIS A 41 7.708 26.680 3.675 1.00 0.00 C ATOM 642 O HIS A 41 8.674 26.215 4.285 1.00 0.00 O ATOM 643 CB HIS A 41 6.294 25.119 2.286 1.00 0.00 C ATOM 644 CG HIS A 41 6.001 24.449 0.961 1.00 0.00 C ATOM 645 ND1 HIS A 41 5.097 24.903 -0.009 1.00 0.00 N ATOM 646 CD2 HIS A 41 6.590 23.305 0.509 1.00 0.00 C ATOM 647 CE1 HIS A 41 5.166 24.020 -1.021 1.00 0.00 C ATOM 648 NE2 HIS A 41 6.053 23.048 -0.733 1.00 0.00 N ATOM 0 H HIS A 41 9.185 25.149 2.173 1.00 0.00 H new ATOM 0 HA HIS A 41 7.012 27.059 1.693 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.588 24.353 3.003 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.373 25.567 2.658 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.333 22.715 1.025 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.592 24.081 -1.934 1.00 0.00 H new ATOM 0 HE2 HIS A 41 6.287 22.257 -1.332 1.00 0.00 H new ATOM 656 N ALA A 42 6.890 27.587 4.215 1.00 0.00 N ATOM 657 CA ALA A 42 7.031 28.157 5.560 1.00 0.00 C ATOM 658 C ALA A 42 5.675 28.299 6.267 1.00 0.00 C ATOM 659 O ALA A 42 4.674 28.679 5.658 1.00 0.00 O ATOM 660 CB ALA A 42 7.735 29.518 5.471 1.00 0.00 C ATOM 0 H ALA A 42 6.084 27.958 3.712 1.00 0.00 H new ATOM 0 HA ALA A 42 7.634 27.472 6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.839 29.940 6.471 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.722 29.389 5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.145 30.193 4.852 1.00 0.00 H new ATOM 666 N PHE A 43 5.663 28.033 7.574 1.00 0.00 N ATOM 667 CA PHE A 43 4.470 27.957 8.423 1.00 0.00 C ATOM 668 C PHE A 43 4.732 28.601 9.804 1.00 0.00 C ATOM 669 O PHE A 43 5.225 27.928 10.717 1.00 0.00 O ATOM 670 CB PHE A 43 4.023 26.487 8.534 1.00 0.00 C ATOM 671 CG PHE A 43 3.765 25.818 7.195 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.718 24.936 6.648 1.00 0.00 C ATOM 673 CD2 PHE A 43 2.593 26.118 6.469 1.00 0.00 C ATOM 674 CE1 PHE A 43 4.515 24.371 5.379 1.00 0.00 C ATOM 675 CE2 PHE A 43 2.393 25.555 5.196 1.00 0.00 C ATOM 676 CZ PHE A 43 3.355 24.683 4.651 1.00 0.00 C ATOM 0 H PHE A 43 6.522 27.857 8.094 1.00 0.00 H new ATOM 0 HA PHE A 43 3.658 28.526 7.970 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.788 25.924 9.068 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.114 26.438 9.134 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.609 24.693 7.208 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.850 26.779 6.890 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.250 23.697 4.963 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.501 25.792 4.636 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.201 24.254 3.672 1.00 0.00 H new ATOM 686 N PRO A 44 4.446 29.908 9.977 1.00 0.00 N ATOM 687 CA PRO A 44 4.640 30.618 11.244 1.00 0.00 C ATOM 688 C PRO A 44 3.686 30.142 12.348 1.00 0.00 C ATOM 689 O PRO A 44 2.558 29.714 12.090 1.00 0.00 O ATOM 690 CB PRO A 44 4.493 32.109 10.920 1.00 0.00 C ATOM 691 CG PRO A 44 3.613 32.122 9.673 1.00 0.00 C ATOM 692 CD PRO A 44 3.976 30.829 8.949 1.00 0.00 C ATOM 0 HA PRO A 44 5.627 30.411 11.658 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.030 32.654 11.743 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.460 32.576 10.733 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.555 32.150 9.932 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.813 32.996 9.053 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.112 30.420 8.425 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.749 31.005 8.201 1.00 0.00 H new ATOM 700 N GLY A 45 4.154 30.211 13.598 1.00 0.00 N ATOM 701 CA GLY A 45 3.430 29.770 14.796 1.00 0.00 C ATOM 702 C GLY A 45 3.527 28.266 15.096 1.00 0.00 C ATOM 703 O GLY A 45 2.955 27.808 16.086 1.00 0.00 O ATOM 0 H GLY A 45 5.078 30.588 13.812 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.810 30.322 15.656 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.379 30.036 14.686 1.00 0.00 H new ATOM 707 N LEU A 46 4.239 27.488 14.271 1.00 0.00 N ATOM 708 CA LEU A 46 4.427 26.039 14.440 1.00 0.00 C ATOM 709 C LEU A 46 5.823 25.661 14.980 1.00 0.00 C ATOM 710 O LEU A 46 6.788 26.429 14.888 1.00 0.00 O ATOM 711 CB LEU A 46 4.134 25.297 13.119 1.00 0.00 C ATOM 712 CG LEU A 46 2.729 25.484 12.518 1.00 0.00 C ATOM 713 CD1 LEU A 46 2.577 24.545 11.323 1.00 0.00 C ATOM 714 CD2 LEU A 46 1.592 25.156 13.491 1.00 0.00 C ATOM 0 H LEU A 46 4.713 27.857 13.446 1.00 0.00 H new ATOM 0 HA LEU A 46 3.711 25.722 15.198 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.866 25.618 12.378 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.294 24.232 13.284 1.00 0.00 H new ATOM 0 HG LEU A 46 2.650 26.537 12.249 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.585 24.668 10.888 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.333 24.783 10.575 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.704 23.514 11.652 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.633 25.311 12.996 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.673 24.116 13.807 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.660 25.807 14.363 1.00 0.00 H new ATOM 726 N ALA A 47 5.927 24.427 15.471 1.00 0.00 N ATOM 727 CA ALA A 47 7.151 23.668 15.734 1.00 0.00 C ATOM 728 C ALA A 47 6.955 22.186 15.331 1.00 0.00 C ATOM 729 O ALA A 47 5.822 21.726 15.164 1.00 0.00 O ATOM 730 CB ALA A 47 7.517 23.825 17.217 1.00 0.00 C ATOM 0 H ALA A 47 5.095 23.890 15.714 1.00 0.00 H new ATOM 0 HA ALA A 47 7.977 24.052 15.135 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.428 23.265 17.428 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.679 24.879 17.442 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.704 23.443 17.835 1.00 0.00 H new ATOM 736 N ILE A 48 8.043 21.425 15.162 1.00 0.00 N ATOM 737 CA ILE A 48 7.964 19.981 14.865 1.00 0.00 C ATOM 738 C ILE A 48 7.478 19.233 16.124 1.00 0.00 C ATOM 739 O ILE A 48 8.097 19.315 17.183 1.00 0.00 O ATOM 740 CB ILE A 48 9.303 19.425 14.335 1.00 0.00 C ATOM 741 CG1 ILE A 48 9.757 20.113 13.028 1.00 0.00 C ATOM 742 CG2 ILE A 48 9.176 17.905 14.089 1.00 0.00 C ATOM 743 CD1 ILE A 48 11.274 20.014 12.803 1.00 0.00 C ATOM 0 H ILE A 48 8.996 21.784 15.225 1.00 0.00 H new ATOM 0 HA ILE A 48 7.243 19.823 14.063 1.00 0.00 H new ATOM 0 HB ILE A 48 10.057 19.630 15.095 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.238 19.659 12.184 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.465 21.163 13.054 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.123 17.517 13.715 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.923 17.405 15.024 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.392 17.720 13.354 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.537 20.514 11.871 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.797 20.492 13.631 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.566 18.965 12.747 1.00 0.00 H new ATOM 755 N GLY A 49 6.354 18.518 16.006 1.00 0.00 N ATOM 756 CA GLY A 49 5.654 17.864 17.117 1.00 0.00 C ATOM 757 C GLY A 49 5.997 16.387 17.284 1.00 0.00 C ATOM 758 O GLY A 49 6.273 15.942 18.397 1.00 0.00 O ATOM 0 H GLY A 49 5.892 18.374 15.108 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.893 18.389 18.042 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.579 17.962 16.963 1.00 0.00 H new ATOM 762 N ARG A 50 5.997 15.610 16.192 1.00 0.00 N ATOM 763 CA ARG A 50 6.276 14.161 16.185 1.00 0.00 C ATOM 764 C ARG A 50 6.931 13.725 14.875 1.00 0.00 C ATOM 765 O ARG A 50 6.715 14.358 13.839 1.00 0.00 O ATOM 766 CB ARG A 50 4.989 13.337 16.410 1.00 0.00 C ATOM 767 CG ARG A 50 4.250 13.607 17.735 1.00 0.00 C ATOM 768 CD ARG A 50 3.096 12.613 17.926 1.00 0.00 C ATOM 769 NE ARG A 50 2.448 12.768 19.242 1.00 0.00 N ATOM 770 CZ ARG A 50 1.223 12.393 19.564 1.00 0.00 C ATOM 771 NH1 ARG A 50 0.378 11.927 18.689 1.00 0.00 N1+ ATOM 772 NH2 ARG A 50 0.822 12.470 20.797 1.00 0.00 N ATOM 0 H ARG A 50 5.798 15.979 15.262 1.00 0.00 H new ATOM 0 HA ARG A 50 6.966 13.971 17.007 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.304 13.534 15.586 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.244 12.278 16.366 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.947 13.527 18.569 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.863 14.626 17.740 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.357 12.759 17.138 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.473 11.595 17.825 1.00 0.00 H new ATOM 0 HE ARG A 50 3.001 13.209 19.977 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.653 11.840 17.711 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.559 11.649 18.982 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.453 12.820 21.518 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.124 12.180 21.045 1.00 0.00 H new ATOM 786 N VAL A 51 7.670 12.611 14.898 1.00 0.00 N ATOM 787 CA VAL A 51 8.134 11.902 13.690 1.00 0.00 C ATOM 788 C VAL A 51 8.020 10.389 13.889 1.00 0.00 C ATOM 789 O VAL A 51 8.569 9.844 14.847 1.00 0.00 O ATOM 790 CB VAL A 51 9.582 12.262 13.295 1.00 0.00 C ATOM 791 CG1 VAL A 51 9.891 11.746 11.888 1.00 0.00 C ATOM 792 CG2 VAL A 51 9.904 13.762 13.336 1.00 0.00 C ATOM 0 H VAL A 51 7.969 12.166 15.766 1.00 0.00 H new ATOM 0 HA VAL A 51 7.487 12.226 12.874 1.00 0.00 H new ATOM 0 HB VAL A 51 10.205 11.780 14.049 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.915 12.007 11.622 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.774 10.663 11.864 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.204 12.201 11.175 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.942 13.919 13.044 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.248 14.294 12.647 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.751 14.140 14.347 1.00 0.00 H new ATOM 802 N ASP A 52 7.351 9.707 12.957 1.00 0.00 N ATOM 803 CA ASP A 52 7.208 8.246 12.895 1.00 0.00 C ATOM 804 C ASP A 52 8.095 7.672 11.777 1.00 0.00 C ATOM 805 O ASP A 52 7.680 7.585 10.620 1.00 0.00 O ATOM 806 CB ASP A 52 5.727 7.869 12.681 1.00 0.00 C ATOM 807 CG ASP A 52 4.773 8.313 13.802 1.00 0.00 C ATOM 808 OD1 ASP A 52 3.561 8.479 13.527 1.00 0.00 O ATOM 809 OD2 ASP A 52 5.204 8.450 14.971 1.00 0.00 O1- ATOM 0 H ASP A 52 6.872 10.177 12.189 1.00 0.00 H new ATOM 0 HA ASP A 52 7.536 7.813 13.840 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.389 8.307 11.742 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.656 6.787 12.572 1.00 0.00 H new ATOM 814 N LEU A 53 9.328 7.264 12.105 1.00 0.00 N ATOM 815 CA LEU A 53 10.296 6.732 11.135 1.00 0.00 C ATOM 816 C LEU A 53 9.877 5.362 10.564 1.00 0.00 C ATOM 817 O LEU A 53 10.317 4.986 9.476 1.00 0.00 O ATOM 818 CB LEU A 53 11.705 6.644 11.757 1.00 0.00 C ATOM 819 CG LEU A 53 12.398 7.956 12.170 1.00 0.00 C ATOM 820 CD1 LEU A 53 12.419 8.989 11.047 1.00 0.00 C ATOM 821 CD2 LEU A 53 11.836 8.607 13.438 1.00 0.00 C ATOM 0 H LEU A 53 9.685 7.294 13.060 1.00 0.00 H new ATOM 0 HA LEU A 53 10.316 7.434 10.301 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.641 6.008 12.640 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.353 6.134 11.044 1.00 0.00 H new ATOM 0 HG LEU A 53 13.417 7.639 12.394 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.919 9.893 11.394 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.956 8.583 10.190 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.397 9.229 10.754 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.386 9.524 13.650 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.782 8.842 13.290 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.940 7.919 14.277 1.00 0.00 H new ATOM 833 N ARG A 54 8.956 4.657 11.243 1.00 0.00 N ATOM 834 CA ARG A 54 8.285 3.436 10.748 1.00 0.00 C ATOM 835 C ARG A 54 7.486 3.678 9.453 1.00 0.00 C ATOM 836 O ARG A 54 7.317 2.753 8.657 1.00 0.00 O ATOM 837 CB ARG A 54 7.339 2.857 11.818 1.00 0.00 C ATOM 838 CG ARG A 54 7.978 2.669 13.204 1.00 0.00 C ATOM 839 CD ARG A 54 6.996 1.946 14.136 1.00 0.00 C ATOM 840 NE ARG A 54 7.335 2.148 15.558 1.00 0.00 N ATOM 841 CZ ARG A 54 7.002 3.193 16.302 1.00 0.00 C ATOM 842 NH1 ARG A 54 6.293 4.185 15.852 1.00 0.00 N1+ ATOM 843 NH2 ARG A 54 7.363 3.299 17.543 1.00 0.00 N ATOM 0 H ARG A 54 8.647 4.926 12.177 1.00 0.00 H new ATOM 0 HA ARG A 54 9.080 2.724 10.527 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.477 3.516 11.917 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.966 1.894 11.471 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.899 2.094 13.115 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.247 3.638 13.625 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.985 2.308 13.949 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.000 0.880 13.910 1.00 0.00 H new ATOM 0 HE ARG A 54 7.878 1.413 16.012 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.967 4.182 14.886 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.063 4.967 16.465 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.921 2.564 17.976 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.089 4.118 18.086 1.00 0.00 H new ATOM 857 N SER A 55 7.015 4.915 9.241 1.00 0.00 N ATOM 858 CA SER A 55 6.126 5.309 8.133 1.00 0.00 C ATOM 859 C SER A 55 6.610 6.528 7.324 1.00 0.00 C ATOM 860 O SER A 55 6.038 6.836 6.276 1.00 0.00 O ATOM 861 CB SER A 55 4.714 5.584 8.677 1.00 0.00 C ATOM 862 OG SER A 55 4.204 4.463 9.383 1.00 0.00 O ATOM 0 H SER A 55 7.248 5.696 9.854 1.00 0.00 H new ATOM 0 HA SER A 55 6.127 4.469 7.439 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.739 6.451 9.337 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.046 5.831 7.852 1.00 0.00 H new ATOM 0 HG SER A 55 3.306 4.668 9.718 1.00 0.00 H new ATOM 868 N GLY A 56 7.653 7.229 7.791 1.00 0.00 N ATOM 869 CA GLY A 56 8.189 8.440 7.160 1.00 0.00 C ATOM 870 C GLY A 56 7.332 9.698 7.360 1.00 0.00 C ATOM 871 O GLY A 56 7.429 10.628 6.559 1.00 0.00 O ATOM 0 H GLY A 56 8.157 6.963 8.637 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.187 8.629 7.556 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.300 8.258 6.091 1.00 0.00 H new ATOM 875 N VAL A 57 6.464 9.740 8.379 1.00 0.00 N ATOM 876 CA VAL A 57 5.533 10.862 8.627 1.00 0.00 C ATOM 877 C VAL A 57 6.059 11.787 9.727 1.00 0.00 C ATOM 878 O VAL A 57 6.234 11.360 10.867 1.00 0.00 O ATOM 879 CB VAL A 57 4.110 10.365 8.958 1.00 0.00 C ATOM 880 CG1 VAL A 57 3.146 11.543 9.160 1.00 0.00 C ATOM 881 CG2 VAL A 57 3.548 9.493 7.825 1.00 0.00 C ATOM 0 H VAL A 57 6.383 8.990 9.066 1.00 0.00 H new ATOM 0 HA VAL A 57 5.471 11.437 7.703 1.00 0.00 H new ATOM 0 HB VAL A 57 4.190 9.782 9.875 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.151 11.163 9.392 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.498 12.164 9.983 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.104 12.139 8.248 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.544 9.158 8.087 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.507 10.075 6.904 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.193 8.627 7.678 1.00 0.00 H new ATOM 891 N ILE A 58 6.276 13.057 9.390 1.00 0.00 N ATOM 892 CA ILE A 58 6.555 14.169 10.303 1.00 0.00 C ATOM 893 C ILE A 58 5.242 14.925 10.551 1.00 0.00 C ATOM 894 O ILE A 58 4.517 15.226 9.601 1.00 0.00 O ATOM 895 CB ILE A 58 7.612 15.108 9.681 1.00 0.00 C ATOM 896 CG1 ILE A 58 8.965 14.404 9.410 1.00 0.00 C ATOM 897 CG2 ILE A 58 7.840 16.357 10.555 1.00 0.00 C ATOM 898 CD1 ILE A 58 9.663 14.955 8.163 1.00 0.00 C ATOM 0 H ILE A 58 6.261 13.357 8.415 1.00 0.00 H new ATOM 0 HA ILE A 58 6.950 13.796 11.248 1.00 0.00 H new ATOM 0 HB ILE A 58 7.204 15.414 8.718 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.617 14.528 10.274 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.798 13.334 9.288 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.590 16.996 10.088 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.905 16.908 10.654 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.187 16.052 11.542 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.607 14.431 8.013 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.024 14.807 7.293 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.856 16.020 8.294 1.00 0.00 H new ATOM 910 N SER A 59 4.947 15.278 11.798 1.00 0.00 N ATOM 911 CA SER A 59 3.733 16.010 12.197 1.00 0.00 C ATOM 912 C SER A 59 4.074 17.263 13.008 1.00 0.00 C ATOM 913 O SER A 59 4.871 17.197 13.950 1.00 0.00 O ATOM 914 CB SER A 59 2.798 15.081 12.976 1.00 0.00 C ATOM 915 OG SER A 59 1.588 15.746 13.317 1.00 0.00 O ATOM 0 H SER A 59 5.557 15.061 12.586 1.00 0.00 H new ATOM 0 HA SER A 59 3.220 16.345 11.295 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.576 14.198 12.378 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.295 14.735 13.882 1.00 0.00 H new ATOM 0 HG SER A 59 1.006 15.133 13.812 1.00 0.00 H new ATOM 921 N LEU A 60 3.502 18.409 12.635 1.00 0.00 N ATOM 922 CA LEU A 60 3.725 19.704 13.287 1.00 0.00 C ATOM 923 C LEU A 60 2.638 20.038 14.324 1.00 0.00 C ATOM 924 O LEU A 60 1.487 19.609 14.195 1.00 0.00 O ATOM 925 CB LEU A 60 3.831 20.828 12.236 1.00 0.00 C ATOM 926 CG LEU A 60 4.765 20.572 11.039 1.00 0.00 C ATOM 927 CD1 LEU A 60 4.852 21.844 10.192 1.00 0.00 C ATOM 928 CD2 LEU A 60 6.187 20.177 11.454 1.00 0.00 C ATOM 0 H LEU A 60 2.853 18.465 11.850 1.00 0.00 H new ATOM 0 HA LEU A 60 4.669 19.629 13.827 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.831 21.028 11.850 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.166 21.735 12.740 1.00 0.00 H new ATOM 0 HG LEU A 60 4.339 19.738 10.481 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.512 21.671 9.342 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.858 22.110 9.832 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.248 22.659 10.798 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.793 20.011 10.563 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.628 20.977 12.049 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.153 19.262 12.045 1.00 0.00 H new ATOM 940 N ILE A 61 2.996 20.866 15.309 1.00 0.00 N ATOM 941 CA ILE A 61 2.118 21.391 16.368 1.00 0.00 C ATOM 942 C ILE A 61 2.315 22.900 16.534 1.00 0.00 C ATOM 943 O ILE A 61 3.362 23.439 16.174 1.00 0.00 O ATOM 944 CB ILE A 61 2.310 20.626 17.707 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.750 20.622 18.279 1.00 0.00 C ATOM 946 CG2 ILE A 61 1.808 19.176 17.558 1.00 0.00 C ATOM 947 CD1 ILE A 61 4.094 21.833 19.156 1.00 0.00 C ATOM 0 H ILE A 61 3.953 21.208 15.397 1.00 0.00 H new ATOM 0 HA ILE A 61 1.085 21.224 16.063 1.00 0.00 H new ATOM 0 HB ILE A 61 1.718 21.182 18.434 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.891 19.714 18.865 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.456 20.579 17.450 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.945 18.645 18.500 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.750 19.182 17.296 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.373 18.674 16.773 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.121 21.745 19.512 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.990 22.747 18.571 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.416 21.869 20.009 1.00 0.00 H new ATOM 959 N GLU A 62 1.327 23.610 17.075 1.00 0.00 N ATOM 960 CA GLU A 62 1.435 25.040 17.377 1.00 0.00 C ATOM 961 C GLU A 62 2.296 25.303 18.629 1.00 0.00 C ATOM 962 O GLU A 62 2.138 24.660 19.671 1.00 0.00 O ATOM 963 CB GLU A 62 0.053 25.715 17.446 1.00 0.00 C ATOM 964 CG GLU A 62 -0.956 25.187 18.479 1.00 0.00 C ATOM 965 CD GLU A 62 -1.785 23.984 17.966 1.00 0.00 C ATOM 966 OE1 GLU A 62 -1.260 22.844 17.922 1.00 0.00 O ATOM 967 OE2 GLU A 62 -2.976 24.177 17.613 1.00 0.00 O1- ATOM 0 H GLU A 62 0.422 23.208 17.319 1.00 0.00 H new ATOM 0 HA GLU A 62 1.962 25.508 16.546 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.209 26.776 17.643 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.406 25.638 16.460 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.421 24.892 19.382 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.634 25.993 18.760 1.00 0.00 H new ATOM 974 N GLU A 63 3.224 26.265 18.533 1.00 0.00 N ATOM 975 CA GLU A 63 4.196 26.596 19.593 1.00 0.00 C ATOM 976 C GLU A 63 3.636 27.531 20.686 1.00 0.00 C ATOM 977 O GLU A 63 4.269 27.706 21.733 1.00 0.00 O ATOM 978 CB GLU A 63 5.492 27.142 18.969 1.00 0.00 C ATOM 979 CG GLU A 63 5.372 28.527 18.308 1.00 0.00 C ATOM 980 CD GLU A 63 6.367 29.543 18.899 1.00 0.00 C ATOM 981 OE1 GLU A 63 7.595 29.293 18.878 1.00 0.00 O ATOM 982 OE2 GLU A 63 5.926 30.619 19.367 1.00 0.00 O1- ATOM 0 H GLU A 63 3.325 26.848 17.702 1.00 0.00 H new ATOM 0 HA GLU A 63 4.422 25.667 20.117 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.256 27.193 19.745 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.844 26.430 18.222 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.546 28.432 17.236 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.356 28.901 18.434 1.00 0.00 H new ATOM 1115 N MET B 3 15.858 3.602 9.763 1.00 0.00 N ATOM 1116 CA MET B 3 15.706 4.456 10.950 1.00 0.00 C ATOM 1117 C MET B 3 16.622 5.684 10.940 1.00 0.00 C ATOM 1118 O MET B 3 17.699 5.690 10.336 1.00 0.00 O ATOM 1119 CB MET B 3 15.937 3.626 12.221 1.00 0.00 C ATOM 1120 CG MET B 3 14.734 2.747 12.597 1.00 0.00 C ATOM 1121 SD MET B 3 14.471 1.238 11.618 1.00 0.00 S ATOM 1122 CE MET B 3 15.938 0.297 12.114 1.00 0.00 C ATOM 0 HA MET B 3 14.686 4.839 10.933 1.00 0.00 H new ATOM 0 HB2 MET B 3 16.812 2.992 12.079 1.00 0.00 H new ATOM 0 HB3 MET B 3 16.161 4.297 13.050 1.00 0.00 H new ATOM 0 HG2 MET B 3 14.841 2.457 13.642 1.00 0.00 H new ATOM 0 HG3 MET B 3 13.834 3.357 12.526 1.00 0.00 H new ATOM 0 HE1 MET B 3 15.807 -0.751 11.843 1.00 0.00 H new ATOM 0 HE2 MET B 3 16.816 0.696 11.605 1.00 0.00 H new ATOM 0 HE3 MET B 3 16.075 0.378 13.192 1.00 0.00 H new ATOM 1132 N ALA B 4 16.187 6.721 11.657 1.00 0.00 N ATOM 1133 CA ALA B 4 16.961 7.927 11.940 1.00 0.00 C ATOM 1134 C ALA B 4 17.942 7.733 13.118 1.00 0.00 C ATOM 1135 O ALA B 4 17.935 6.705 13.805 1.00 0.00 O ATOM 1136 CB ALA B 4 15.962 9.057 12.227 1.00 0.00 C ATOM 0 H ALA B 4 15.255 6.744 12.070 1.00 0.00 H new ATOM 0 HA ALA B 4 17.583 8.172 11.079 1.00 0.00 H new ATOM 0 HB1 ALA B 4 16.505 9.977 12.443 1.00 0.00 H new ATOM 0 HB2 ALA B 4 15.324 9.209 11.356 1.00 0.00 H new ATOM 0 HB3 ALA B 4 15.346 8.789 13.085 1.00 0.00 H new ATOM 1142 N LYS B 5 18.734 8.774 13.387 1.00 0.00 N ATOM 1143 CA LYS B 5 19.487 8.988 14.628 1.00 0.00 C ATOM 1144 C LYS B 5 19.159 10.348 15.248 1.00 0.00 C ATOM 1145 O LYS B 5 18.920 11.313 14.526 1.00 0.00 O ATOM 1146 CB LYS B 5 20.996 8.786 14.403 1.00 0.00 C ATOM 1147 CG LYS B 5 21.614 9.758 13.378 1.00 0.00 C ATOM 1148 CD LYS B 5 23.138 9.611 13.298 1.00 0.00 C ATOM 1149 CE LYS B 5 23.827 10.178 14.544 1.00 0.00 C ATOM 1150 NZ LYS B 5 25.297 10.011 14.485 1.00 0.00 N1+ ATOM 0 H LYS B 5 18.875 9.527 12.714 1.00 0.00 H new ATOM 0 HA LYS B 5 19.175 8.234 15.351 1.00 0.00 H new ATOM 0 HB2 LYS B 5 21.513 8.902 15.355 1.00 0.00 H new ATOM 0 HB3 LYS B 5 21.169 7.763 14.068 1.00 0.00 H new ATOM 0 HG2 LYS B 5 21.179 9.574 12.395 1.00 0.00 H new ATOM 0 HG3 LYS B 5 21.362 10.783 13.651 1.00 0.00 H new ATOM 0 HD2 LYS B 5 23.397 8.558 13.186 1.00 0.00 H new ATOM 0 HD3 LYS B 5 23.508 10.126 12.411 1.00 0.00 H new ATOM 0 HE2 LYS B 5 23.585 11.236 14.643 1.00 0.00 H new ATOM 0 HE3 LYS B 5 23.440 9.678 15.432 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 25.716 10.297 15.393 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 25.526 9.014 14.297 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 25.683 10.604 13.723 1.00 0.00 H new ATOM 1164 N VAL B 6 19.158 10.434 16.576 1.00 0.00 N ATOM 1165 CA VAL B 6 18.912 11.669 17.347 1.00 0.00 C ATOM 1166 C VAL B 6 20.223 12.207 17.929 1.00 0.00 C ATOM 1167 O VAL B 6 21.070 11.424 18.358 1.00 0.00 O ATOM 1168 CB VAL B 6 17.841 11.439 18.433 1.00 0.00 C ATOM 1169 CG1 VAL B 6 17.701 12.597 19.431 1.00 0.00 C ATOM 1170 CG2 VAL B 6 16.458 11.236 17.809 1.00 0.00 C ATOM 0 H VAL B 6 19.333 9.625 17.172 1.00 0.00 H new ATOM 0 HA VAL B 6 18.518 12.430 16.673 1.00 0.00 H new ATOM 0 HB VAL B 6 18.187 10.552 18.964 1.00 0.00 H new ATOM 0 HG11 VAL B 6 16.928 12.357 20.161 1.00 0.00 H new ATOM 0 HG12 VAL B 6 18.650 12.751 19.945 1.00 0.00 H new ATOM 0 HG13 VAL B 6 17.425 13.506 18.897 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.723 11.076 18.598 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.185 12.120 17.233 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.480 10.367 17.151 1.00 0.00 H new ATOM 1180 N VAL B 7 20.384 13.532 17.983 1.00 0.00 N ATOM 1181 CA VAL B 7 21.488 14.236 18.663 1.00 0.00 C ATOM 1182 C VAL B 7 20.984 15.452 19.454 1.00 0.00 C ATOM 1183 O VAL B 7 20.078 16.172 19.017 1.00 0.00 O ATOM 1184 CB VAL B 7 22.616 14.598 17.670 1.00 0.00 C ATOM 1185 CG1 VAL B 7 22.171 15.534 16.538 1.00 0.00 C ATOM 1186 CG2 VAL B 7 23.827 15.236 18.368 1.00 0.00 C ATOM 0 H VAL B 7 19.727 14.173 17.539 1.00 0.00 H new ATOM 0 HA VAL B 7 21.919 13.553 19.395 1.00 0.00 H new ATOM 0 HB VAL B 7 22.897 13.639 17.235 1.00 0.00 H new ATOM 0 HG11 VAL B 7 23.018 15.741 15.883 1.00 0.00 H new ATOM 0 HG12 VAL B 7 21.376 15.058 15.964 1.00 0.00 H new ATOM 0 HG13 VAL B 7 21.803 16.468 16.962 1.00 0.00 H new ATOM 0 HG21 VAL B 7 24.591 15.472 17.627 1.00 0.00 H new ATOM 0 HG22 VAL B 7 23.516 16.151 18.872 1.00 0.00 H new ATOM 0 HG23 VAL B 7 24.234 14.539 19.100 1.00 0.00 H new ATOM 1196 N LEU B 8 21.581 15.677 20.631 1.00 0.00 N ATOM 1197 CA LEU B 8 21.229 16.744 21.575 1.00 0.00 C ATOM 1198 C LEU B 8 22.415 17.176 22.461 1.00 0.00 C ATOM 1199 O LEU B 8 23.369 16.418 22.651 1.00 0.00 O ATOM 1200 CB LEU B 8 20.033 16.306 22.448 1.00 0.00 C ATOM 1201 CG LEU B 8 20.281 15.067 23.340 1.00 0.00 C ATOM 1202 CD1 LEU B 8 19.535 15.204 24.663 1.00 0.00 C ATOM 1203 CD2 LEU B 8 19.812 13.758 22.687 1.00 0.00 C ATOM 0 H LEU B 8 22.352 15.098 20.964 1.00 0.00 H new ATOM 0 HA LEU B 8 20.949 17.615 20.983 1.00 0.00 H new ATOM 0 HB2 LEU B 8 19.746 17.141 23.087 1.00 0.00 H new ATOM 0 HB3 LEU B 8 19.185 16.099 21.795 1.00 0.00 H new ATOM 0 HG LEU B 8 21.360 15.023 23.492 1.00 0.00 H new ATOM 0 HD11 LEU B 8 19.721 14.324 25.278 1.00 0.00 H new ATOM 0 HD12 LEU B 8 19.885 16.093 25.187 1.00 0.00 H new ATOM 0 HD13 LEU B 8 18.466 15.293 24.470 1.00 0.00 H new ATOM 0 HD21 LEU B 8 20.012 12.924 23.360 1.00 0.00 H new ATOM 0 HD22 LEU B 8 18.742 13.814 22.487 1.00 0.00 H new ATOM 0 HD23 LEU B 8 20.349 13.606 21.751 1.00 0.00 H new ATOM 1215 N THR B 9 22.317 18.377 23.035 1.00 0.00 N ATOM 1216 CA THR B 9 23.236 18.909 24.068 1.00 0.00 C ATOM 1217 C THR B 9 22.480 19.083 25.394 1.00 0.00 C ATOM 1218 O THR B 9 21.413 19.700 25.436 1.00 0.00 O ATOM 1219 CB THR B 9 23.875 20.245 23.648 1.00 0.00 C ATOM 1220 OG1 THR B 9 24.395 20.174 22.333 1.00 0.00 O ATOM 1221 CG2 THR B 9 25.034 20.646 24.563 1.00 0.00 C ATOM 0 H THR B 9 21.576 19.034 22.792 1.00 0.00 H new ATOM 0 HA THR B 9 24.044 18.188 24.192 1.00 0.00 H new ATOM 0 HB THR B 9 23.076 20.984 23.713 1.00 0.00 H new ATOM 0 HG1 THR B 9 24.807 21.031 22.098 1.00 0.00 H new ATOM 0 HG21 THR B 9 25.452 21.595 24.226 1.00 0.00 H new ATOM 0 HG22 THR B 9 24.671 20.752 25.585 1.00 0.00 H new ATOM 0 HG23 THR B 9 25.806 19.877 24.530 1.00 0.00 H new ATOM 1229 N LYS B 10 23.031 18.532 26.481 1.00 0.00 N ATOM 1230 CA LYS B 10 22.492 18.595 27.854 1.00 0.00 C ATOM 1231 C LYS B 10 22.752 19.953 28.517 1.00 0.00 C ATOM 1232 O LYS B 10 23.638 20.703 28.096 1.00 0.00 O ATOM 1233 CB LYS B 10 23.093 17.454 28.697 1.00 0.00 C ATOM 1234 CG LYS B 10 22.727 16.062 28.143 1.00 0.00 C ATOM 1235 CD LYS B 10 23.161 14.921 29.076 1.00 0.00 C ATOM 1236 CE LYS B 10 24.687 14.817 29.201 1.00 0.00 C ATOM 1237 NZ LYS B 10 25.086 13.692 30.088 1.00 0.00 N1+ ATOM 0 H LYS B 10 23.903 18.006 26.431 1.00 0.00 H new ATOM 0 HA LYS B 10 21.410 18.475 27.796 1.00 0.00 H new ATOM 0 HB2 LYS B 10 24.178 17.558 28.725 1.00 0.00 H new ATOM 0 HB3 LYS B 10 22.739 17.539 29.724 1.00 0.00 H new ATOM 0 HG2 LYS B 10 21.649 16.009 27.987 1.00 0.00 H new ATOM 0 HG3 LYS B 10 23.197 15.928 27.169 1.00 0.00 H new ATOM 0 HD2 LYS B 10 22.728 15.078 30.064 1.00 0.00 H new ATOM 0 HD3 LYS B 10 22.765 13.978 28.701 1.00 0.00 H new ATOM 0 HE2 LYS B 10 25.125 14.676 28.213 1.00 0.00 H new ATOM 0 HE3 LYS B 10 25.085 15.752 29.596 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 26.123 13.650 30.150 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 24.688 13.840 31.037 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 24.726 12.798 29.697 1.00 0.00 H new ATOM 1251 N ALA B 11 22.033 20.245 29.603 1.00 0.00 N ATOM 1252 CA ALA B 11 22.224 21.454 30.417 1.00 0.00 C ATOM 1253 C ALA B 11 23.634 21.558 31.048 1.00 0.00 C ATOM 1254 O ALA B 11 24.137 22.660 31.282 1.00 0.00 O ATOM 1255 CB ALA B 11 21.132 21.467 31.496 1.00 0.00 C ATOM 0 H ALA B 11 21.289 19.640 29.950 1.00 0.00 H new ATOM 0 HA ALA B 11 22.143 22.326 29.767 1.00 0.00 H new ATOM 0 HB1 ALA B 11 21.246 22.354 32.119 1.00 0.00 H new ATOM 0 HB2 ALA B 11 20.151 21.481 31.021 1.00 0.00 H new ATOM 0 HB3 ALA B 11 21.222 20.575 32.116 1.00 0.00 H new ATOM 1261 N ASP B 12 24.301 20.418 31.275 1.00 0.00 N ATOM 1262 CA ASP B 12 25.698 20.333 31.740 1.00 0.00 C ATOM 1263 C ASP B 12 26.748 20.583 30.623 1.00 0.00 C ATOM 1264 O ASP B 12 27.953 20.569 30.885 1.00 0.00 O ATOM 1265 CB ASP B 12 25.926 18.970 32.421 1.00 0.00 C ATOM 1266 CG ASP B 12 25.043 18.713 33.658 1.00 0.00 C ATOM 1267 OD1 ASP B 12 24.587 19.673 34.325 1.00 0.00 O ATOM 1268 OD2 ASP B 12 24.831 17.524 34.002 1.00 0.00 O1- ATOM 0 H ASP B 12 23.874 19.502 31.137 1.00 0.00 H new ATOM 0 HA ASP B 12 25.847 21.140 32.458 1.00 0.00 H new ATOM 0 HB2 ASP B 12 25.745 18.180 31.692 1.00 0.00 H new ATOM 0 HB3 ASP B 12 26.973 18.897 32.717 1.00 0.00 H new ATOM 1273 N GLY B 13 26.309 20.805 29.377 1.00 0.00 N ATOM 1274 CA GLY B 13 27.152 21.049 28.194 1.00 0.00 C ATOM 1275 C GLY B 13 27.695 19.795 27.490 1.00 0.00 C ATOM 1276 O GLY B 13 28.310 19.914 26.427 1.00 0.00 O ATOM 0 H GLY B 13 25.314 20.821 29.154 1.00 0.00 H new ATOM 0 HA2 GLY B 13 26.574 21.626 27.472 1.00 0.00 H new ATOM 0 HA3 GLY B 13 27.997 21.669 28.495 1.00 0.00 H new ATOM 1280 N GLY B 14 27.461 18.596 28.035 1.00 0.00 N ATOM 1281 CA GLY B 14 27.776 17.316 27.381 1.00 0.00 C ATOM 1282 C GLY B 14 26.767 16.952 26.285 1.00 0.00 C ATOM 1283 O GLY B 14 25.612 17.381 26.334 1.00 0.00 O ATOM 0 H GLY B 14 27.041 18.483 28.958 1.00 0.00 H new ATOM 0 HA2 GLY B 14 28.775 17.369 26.948 1.00 0.00 H new ATOM 0 HA3 GLY B 14 27.795 16.524 28.130 1.00 0.00 H new ATOM 1287 N ARG B 15 27.183 16.153 25.293 1.00 0.00 N ATOM 1288 CA ARG B 15 26.332 15.722 24.162 1.00 0.00 C ATOM 1289 C ARG B 15 25.981 14.233 24.205 1.00 0.00 C ATOM 1290 O ARG B 15 26.750 13.411 24.709 1.00 0.00 O ATOM 1291 CB ARG B 15 26.973 16.140 22.826 1.00 0.00 C ATOM 1292 CG ARG B 15 26.795 17.644 22.608 1.00 0.00 C ATOM 1293 CD ARG B 15 27.349 18.120 21.264 1.00 0.00 C ATOM 1294 NE ARG B 15 26.893 19.498 21.009 1.00 0.00 N ATOM 1295 CZ ARG B 15 27.389 20.383 20.166 1.00 0.00 C ATOM 1296 NH1 ARG B 15 28.412 20.124 19.401 1.00 0.00 N1+ ATOM 1297 NH2 ARG B 15 26.843 21.563 20.074 1.00 0.00 N ATOM 0 H ARG B 15 28.131 15.780 25.248 1.00 0.00 H new ATOM 0 HA ARG B 15 25.376 16.237 24.256 1.00 0.00 H new ATOM 0 HB2 ARG B 15 28.033 15.887 22.827 1.00 0.00 H new ATOM 0 HB3 ARG B 15 26.515 15.588 22.005 1.00 0.00 H new ATOM 0 HG2 ARG B 15 25.735 17.892 22.667 1.00 0.00 H new ATOM 0 HG3 ARG B 15 27.294 18.184 23.413 1.00 0.00 H new ATOM 0 HD2 ARG B 15 28.438 18.081 21.272 1.00 0.00 H new ATOM 0 HD3 ARG B 15 27.013 17.460 20.465 1.00 0.00 H new ATOM 0 HE ARG B 15 26.089 19.808 21.555 1.00 0.00 H new ATOM 0 HH11 ARG B 15 28.860 19.208 19.441 1.00 0.00 H new ATOM 0 HH12 ARG B 15 28.765 20.837 18.762 1.00 0.00 H new ATOM 0 HH21 ARG B 15 26.036 21.798 20.652 1.00 0.00 H new ATOM 0 HH22 ARG B 15 27.222 22.251 19.424 1.00 0.00 H new ATOM 1311 N VAL B 16 24.809 13.910 23.659 1.00 0.00 N ATOM 1312 CA VAL B 16 24.223 12.557 23.592 1.00 0.00 C ATOM 1313 C VAL B 16 23.743 12.270 22.167 1.00 0.00 C ATOM 1314 O VAL B 16 23.192 13.149 21.502 1.00 0.00 O ATOM 1315 CB VAL B 16 23.081 12.393 24.621 1.00 0.00 C ATOM 1316 CG1 VAL B 16 22.381 11.025 24.535 1.00 0.00 C ATOM 1317 CG2 VAL B 16 23.596 12.540 26.061 1.00 0.00 C ATOM 0 H VAL B 16 24.208 14.613 23.229 1.00 0.00 H new ATOM 0 HA VAL B 16 24.991 11.827 23.850 1.00 0.00 H new ATOM 0 HB VAL B 16 22.370 13.182 24.373 1.00 0.00 H new ATOM 0 HG11 VAL B 16 21.590 10.973 25.283 1.00 0.00 H new ATOM 0 HG12 VAL B 16 21.950 10.899 23.542 1.00 0.00 H new ATOM 0 HG13 VAL B 16 23.107 10.233 24.719 1.00 0.00 H new ATOM 0 HG21 VAL B 16 22.767 12.419 26.758 1.00 0.00 H new ATOM 0 HG22 VAL B 16 24.350 11.777 26.258 1.00 0.00 H new ATOM 0 HG23 VAL B 16 24.038 13.528 26.190 1.00 0.00 H new ATOM 1327 N GLU B 17 23.958 11.036 21.713 1.00 0.00 N ATOM 1328 CA GLU B 17 23.493 10.515 20.425 1.00 0.00 C ATOM 1329 C GLU B 17 22.785 9.158 20.591 1.00 0.00 C ATOM 1330 O GLU B 17 23.205 8.336 21.409 1.00 0.00 O ATOM 1331 CB GLU B 17 24.653 10.386 19.421 1.00 0.00 C ATOM 1332 CG GLU B 17 25.259 11.738 19.025 1.00 0.00 C ATOM 1333 CD GLU B 17 26.405 11.594 18.004 1.00 0.00 C ATOM 1334 OE1 GLU B 17 27.515 12.133 18.244 1.00 0.00 O ATOM 1335 OE2 GLU B 17 26.209 10.953 16.941 1.00 0.00 O1- ATOM 0 H GLU B 17 24.480 10.345 22.251 1.00 0.00 H new ATOM 0 HA GLU B 17 22.774 11.233 20.031 1.00 0.00 H new ATOM 0 HB2 GLU B 17 25.432 9.758 19.854 1.00 0.00 H new ATOM 0 HB3 GLU B 17 24.295 9.878 18.525 1.00 0.00 H new ATOM 0 HG2 GLU B 17 24.479 12.373 18.604 1.00 0.00 H new ATOM 0 HG3 GLU B 17 25.632 12.241 19.917 1.00 0.00 H new ATOM 1342 N ILE B 18 21.726 8.912 19.811 1.00 0.00 N ATOM 1343 CA ILE B 18 20.914 7.680 19.849 1.00 0.00 C ATOM 1344 C ILE B 18 20.727 7.160 18.414 1.00 0.00 C ATOM 1345 O ILE B 18 20.229 7.898 17.564 1.00 0.00 O ATOM 1346 CB ILE B 18 19.544 7.932 20.528 1.00 0.00 C ATOM 1347 CG1 ILE B 18 19.671 8.454 21.980 1.00 0.00 C ATOM 1348 CG2 ILE B 18 18.682 6.652 20.520 1.00 0.00 C ATOM 1349 CD1 ILE B 18 18.426 9.215 22.448 1.00 0.00 C ATOM 0 H ILE B 18 21.397 9.581 19.115 1.00 0.00 H new ATOM 0 HA ILE B 18 21.434 6.928 20.443 1.00 0.00 H new ATOM 0 HB ILE B 18 19.059 8.711 19.940 1.00 0.00 H new ATOM 0 HG12 ILE B 18 19.850 7.613 22.649 1.00 0.00 H new ATOM 0 HG13 ILE B 18 20.540 9.109 22.051 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.726 6.854 21.002 1.00 0.00 H new ATOM 0 HG22 ILE B 18 18.510 6.336 19.491 1.00 0.00 H new ATOM 0 HG23 ILE B 18 19.201 5.861 21.061 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.572 9.557 23.473 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.259 10.075 21.799 1.00 0.00 H new ATOM 0 HD13 ILE B 18 17.559 8.555 22.406 1.00 0.00 H new ATOM 1361 N GLY B 19 21.106 5.906 18.151 1.00 0.00 N ATOM 1362 CA GLY B 19 20.927 5.242 16.858 1.00 0.00 C ATOM 1363 C GLY B 19 19.658 4.383 16.759 1.00 0.00 C ATOM 1364 O GLY B 19 19.024 4.054 17.762 1.00 0.00 O ATOM 0 H GLY B 19 21.556 5.312 18.847 1.00 0.00 H new ATOM 0 HA2 GLY B 19 20.901 5.999 16.074 1.00 0.00 H new ATOM 0 HA3 GLY B 19 21.795 4.611 16.663 1.00 0.00 H new ATOM 1368 N ASP B 20 19.315 3.997 15.526 1.00 0.00 N ATOM 1369 CA ASP B 20 18.192 3.108 15.177 1.00 0.00 C ATOM 1370 C ASP B 20 16.838 3.564 15.760 1.00 0.00 C ATOM 1371 O ASP B 20 16.077 2.777 16.327 1.00 0.00 O ATOM 1372 CB ASP B 20 18.529 1.625 15.454 1.00 0.00 C ATOM 1373 CG ASP B 20 19.920 1.180 14.963 1.00 0.00 C ATOM 1374 OD1 ASP B 20 20.364 1.617 13.873 1.00 0.00 O ATOM 1375 OD2 ASP B 20 20.557 0.343 15.652 1.00 0.00 O1- ATOM 0 H ASP B 20 19.833 4.307 14.704 1.00 0.00 H new ATOM 0 HA ASP B 20 18.053 3.191 14.099 1.00 0.00 H new ATOM 0 HB2 ASP B 20 18.463 1.445 16.527 1.00 0.00 H new ATOM 0 HB3 ASP B 20 17.773 1.000 14.979 1.00 0.00 H new ATOM 1380 N VAL B 21 16.551 4.862 15.652 1.00 0.00 N ATOM 1381 CA VAL B 21 15.344 5.507 16.198 1.00 0.00 C ATOM 1382 C VAL B 21 14.107 5.205 15.345 1.00 0.00 C ATOM 1383 O VAL B 21 14.049 5.559 14.163 1.00 0.00 O ATOM 1384 CB VAL B 21 15.584 7.023 16.345 1.00 0.00 C ATOM 1385 CG1 VAL B 21 14.328 7.784 16.785 1.00 0.00 C ATOM 1386 CG2 VAL B 21 16.678 7.283 17.393 1.00 0.00 C ATOM 0 H VAL B 21 17.166 5.517 15.169 1.00 0.00 H new ATOM 0 HA VAL B 21 15.145 5.093 17.186 1.00 0.00 H new ATOM 0 HB VAL B 21 15.881 7.381 15.359 1.00 0.00 H new ATOM 0 HG11 VAL B 21 14.558 8.846 16.872 1.00 0.00 H new ATOM 0 HG12 VAL B 21 13.539 7.642 16.046 1.00 0.00 H new ATOM 0 HG13 VAL B 21 13.993 7.405 17.751 1.00 0.00 H new ATOM 0 HG21 VAL B 21 16.841 8.356 17.490 1.00 0.00 H new ATOM 0 HG22 VAL B 21 16.365 6.875 18.354 1.00 0.00 H new ATOM 0 HG23 VAL B 21 17.604 6.802 17.079 1.00 0.00 H new ATOM 1396 N LEU B 22 13.099 4.570 15.957 1.00 0.00 N ATOM 1397 CA LEU B 22 11.778 4.314 15.361 1.00 0.00 C ATOM 1398 C LEU B 22 10.838 5.532 15.432 1.00 0.00 C ATOM 1399 O LEU B 22 9.981 5.690 14.560 1.00 0.00 O ATOM 1400 CB LEU B 22 11.086 3.140 16.081 1.00 0.00 C ATOM 1401 CG LEU B 22 11.792 1.776 15.986 1.00 0.00 C ATOM 1402 CD1 LEU B 22 10.991 0.762 16.804 1.00 0.00 C ATOM 1403 CD2 LEU B 22 11.869 1.250 14.554 1.00 0.00 C ATOM 0 H LEU B 22 13.181 4.209 16.908 1.00 0.00 H new ATOM 0 HA LEU B 22 11.963 4.082 14.312 1.00 0.00 H new ATOM 0 HB2 LEU B 22 10.980 3.399 17.135 1.00 0.00 H new ATOM 0 HB3 LEU B 22 10.080 3.034 15.676 1.00 0.00 H new ATOM 0 HG LEU B 22 12.808 1.908 16.358 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.475 -0.213 16.750 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.946 1.087 17.843 1.00 0.00 H new ATOM 0 HD13 LEU B 22 9.980 0.688 16.403 1.00 0.00 H new ATOM 0 HD21 LEU B 22 12.377 0.286 14.547 1.00 0.00 H new ATOM 0 HD22 LEU B 22 10.862 1.132 14.155 1.00 0.00 H new ATOM 0 HD23 LEU B 22 12.424 1.956 13.936 1.00 0.00 H new ATOM 1415 N GLU B 23 10.953 6.373 16.466 1.00 0.00 N ATOM 1416 CA GLU B 23 9.985 7.444 16.744 1.00 0.00 C ATOM 1417 C GLU B 23 10.584 8.541 17.637 1.00 0.00 C ATOM 1418 O GLU B 23 11.375 8.251 18.539 1.00 0.00 O ATOM 1419 CB GLU B 23 8.730 6.801 17.375 1.00 0.00 C ATOM 1420 CG GLU B 23 7.614 7.768 17.810 1.00 0.00 C ATOM 1421 CD GLU B 23 6.362 7.029 18.340 1.00 0.00 C ATOM 1422 OE1 GLU B 23 6.216 5.797 18.125 1.00 0.00 O ATOM 1423 OE2 GLU B 23 5.505 7.677 18.990 1.00 0.00 O1- ATOM 0 H GLU B 23 11.721 6.331 17.136 1.00 0.00 H new ATOM 0 HA GLU B 23 9.711 7.944 15.815 1.00 0.00 H new ATOM 0 HB2 GLU B 23 8.311 6.095 16.659 1.00 0.00 H new ATOM 0 HB3 GLU B 23 9.042 6.225 18.246 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.995 8.432 18.586 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.331 8.395 16.964 1.00 0.00 H new ATOM 1430 N VAL B 24 10.165 9.792 17.417 1.00 0.00 N ATOM 1431 CA VAL B 24 10.391 10.927 18.336 1.00 0.00 C ATOM 1432 C VAL B 24 9.126 11.759 18.533 1.00 0.00 C ATOM 1433 O VAL B 24 8.275 11.829 17.641 1.00 0.00 O ATOM 1434 CB VAL B 24 11.545 11.856 17.906 1.00 0.00 C ATOM 1435 CG1 VAL B 24 12.899 11.172 18.000 1.00 0.00 C ATOM 1436 CG2 VAL B 24 11.393 12.417 16.494 1.00 0.00 C ATOM 0 H VAL B 24 9.647 10.056 16.578 1.00 0.00 H new ATOM 0 HA VAL B 24 10.677 10.463 19.280 1.00 0.00 H new ATOM 0 HB VAL B 24 11.493 12.684 18.613 1.00 0.00 H new ATOM 0 HG11 VAL B 24 13.680 11.866 17.687 1.00 0.00 H new ATOM 0 HG12 VAL B 24 13.080 10.863 19.029 1.00 0.00 H new ATOM 0 HG13 VAL B 24 12.910 10.296 17.351 1.00 0.00 H new ATOM 0 HG21 VAL B 24 12.243 13.060 16.265 1.00 0.00 H new ATOM 0 HG22 VAL B 24 11.356 11.596 15.778 1.00 0.00 H new ATOM 0 HG23 VAL B 24 10.472 12.996 16.430 1.00 0.00 H new ATOM 1446 N ARG B 25 9.021 12.432 19.685 1.00 0.00 N ATOM 1447 CA ARG B 25 7.941 13.382 20.007 1.00 0.00 C ATOM 1448 C ARG B 25 8.453 14.548 20.849 1.00 0.00 C ATOM 1449 O ARG B 25 9.071 14.312 21.881 1.00 0.00 O ATOM 1450 CB ARG B 25 6.820 12.698 20.805 1.00 0.00 C ATOM 1451 CG ARG B 25 6.296 11.371 20.252 1.00 0.00 C ATOM 1452 CD ARG B 25 5.114 10.955 21.119 1.00 0.00 C ATOM 1453 NE ARG B 25 4.539 9.684 20.673 1.00 0.00 N ATOM 1454 CZ ARG B 25 3.412 9.140 21.081 1.00 0.00 C ATOM 1455 NH1 ARG B 25 2.615 9.722 21.933 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 25 3.094 7.972 20.603 1.00 0.00 N ATOM 0 H ARG B 25 9.700 12.331 20.440 1.00 0.00 H new ATOM 0 HA ARG B 25 7.562 13.747 19.052 1.00 0.00 H new ATOM 0 HB2 ARG B 25 7.180 12.526 21.819 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.982 13.391 20.878 1.00 0.00 H new ATOM 0 HG2 ARG B 25 5.990 11.482 19.212 1.00 0.00 H new ATOM 0 HG3 ARG B 25 7.076 10.610 20.275 1.00 0.00 H new ATOM 0 HD2 ARG B 25 5.437 10.865 22.156 1.00 0.00 H new ATOM 0 HD3 ARG B 25 4.349 11.731 21.089 1.00 0.00 H new ATOM 0 HE ARG B 25 5.068 9.165 19.972 1.00 0.00 H new ATOM 0 HH11 ARG B 25 2.855 10.638 22.312 1.00 0.00 H new ATOM 0 HH12 ARG B 25 1.751 9.261 22.220 1.00 0.00 H new ATOM 0 HH21 ARG B 25 3.711 7.509 19.935 1.00 0.00 H new ATOM 0 HH22 ARG B 25 2.228 7.519 20.896 1.00 0.00 H new ATOM 1470 N ALA B 26 8.129 15.778 20.469 1.00 0.00 N ATOM 1471 CA ALA B 26 8.092 16.926 21.373 1.00 0.00 C ATOM 1472 C ALA B 26 6.737 16.912 22.113 1.00 0.00 C ATOM 1473 O ALA B 26 5.702 17.298 21.557 1.00 0.00 O ATOM 1474 CB ALA B 26 8.326 18.208 20.566 1.00 0.00 C ATOM 0 H ALA B 26 7.880 16.012 19.508 1.00 0.00 H new ATOM 0 HA ALA B 26 8.881 16.879 22.124 1.00 0.00 H new ATOM 0 HB1 ALA B 26 8.300 19.069 21.234 1.00 0.00 H new ATOM 0 HB2 ALA B 26 9.299 18.158 20.077 1.00 0.00 H new ATOM 0 HB3 ALA B 26 7.546 18.311 19.812 1.00 0.00 H new ATOM 1509 N ALA B 30 8.930 17.886 27.045 1.00 0.00 N ATOM 1510 CA ALA B 30 10.138 17.087 26.839 1.00 0.00 C ATOM 1511 C ALA B 30 10.244 16.588 25.389 1.00 0.00 C ATOM 1512 O ALA B 30 9.262 16.615 24.645 1.00 0.00 O ATOM 1513 CB ALA B 30 10.084 15.889 27.806 1.00 0.00 C ATOM 0 HA ALA B 30 11.016 17.703 27.033 1.00 0.00 H new ATOM 0 HB1 ALA B 30 10.974 15.274 27.674 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.043 16.252 28.833 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.197 15.292 27.596 1.00 0.00 H new ATOM 1519 N VAL B 31 11.413 16.067 24.996 1.00 0.00 N ATOM 1520 CA VAL B 31 11.502 15.156 23.840 1.00 0.00 C ATOM 1521 C VAL B 31 11.562 13.695 24.278 1.00 0.00 C ATOM 1522 O VAL B 31 12.459 13.311 25.029 1.00 0.00 O ATOM 1523 CB VAL B 31 12.630 15.506 22.857 1.00 0.00 C ATOM 1524 CG1 VAL B 31 12.783 14.449 21.751 1.00 0.00 C ATOM 1525 CG2 VAL B 31 12.294 16.830 22.169 1.00 0.00 C ATOM 0 H VAL B 31 12.304 16.256 25.454 1.00 0.00 H new ATOM 0 HA VAL B 31 10.578 15.301 23.281 1.00 0.00 H new ATOM 0 HB VAL B 31 13.555 15.560 23.431 1.00 0.00 H new ATOM 0 HG11 VAL B 31 13.592 14.739 21.080 1.00 0.00 H new ATOM 0 HG12 VAL B 31 13.013 13.483 22.200 1.00 0.00 H new ATOM 0 HG13 VAL B 31 11.853 14.375 21.187 1.00 0.00 H new ATOM 0 HG21 VAL B 31 13.088 17.088 21.469 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.352 16.731 21.629 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.201 17.616 22.918 1.00 0.00 H new ATOM 1535 N ARG B 32 10.629 12.880 23.779 1.00 0.00 N ATOM 1536 CA ARG B 32 10.674 11.409 23.809 1.00 0.00 C ATOM 1537 C ARG B 32 11.386 10.848 22.574 1.00 0.00 C ATOM 1538 O ARG B 32 11.253 11.402 21.482 1.00 0.00 O ATOM 1539 CB ARG B 32 9.257 10.831 23.920 1.00 0.00 C ATOM 1540 CG ARG B 32 8.610 11.125 25.287 1.00 0.00 C ATOM 1541 CD ARG B 32 7.162 10.629 25.368 1.00 0.00 C ATOM 1542 NE ARG B 32 7.054 9.167 25.211 1.00 0.00 N ATOM 1543 CZ ARG B 32 5.966 8.478 24.923 1.00 0.00 C ATOM 1544 NH1 ARG B 32 4.810 9.028 24.684 1.00 0.00 N1+ ATOM 1545 NH2 ARG B 32 6.030 7.184 24.873 1.00 0.00 N ATOM 0 H ARG B 32 9.788 13.236 23.325 1.00 0.00 H new ATOM 0 HA ARG B 32 11.245 11.110 24.688 1.00 0.00 H new ATOM 0 HB2 ARG B 32 8.634 11.248 23.129 1.00 0.00 H new ATOM 0 HB3 ARG B 32 9.293 9.753 23.762 1.00 0.00 H new ATOM 0 HG2 ARG B 32 9.198 10.651 26.073 1.00 0.00 H new ATOM 0 HG3 ARG B 32 8.634 12.199 25.474 1.00 0.00 H new ATOM 0 HD2 ARG B 32 6.735 10.920 26.328 1.00 0.00 H new ATOM 0 HD3 ARG B 32 6.570 11.119 24.594 1.00 0.00 H new ATOM 0 HE ARG B 32 7.912 8.631 25.339 1.00 0.00 H new ATOM 0 HH11 ARG B 32 4.712 10.043 24.714 1.00 0.00 H new ATOM 0 HH12 ARG B 32 4.003 8.444 24.466 1.00 0.00 H new ATOM 0 HH21 ARG B 32 6.914 6.710 25.055 1.00 0.00 H new ATOM 0 HH22 ARG B 32 5.196 6.640 24.651 1.00 0.00 H new ATOM 1559 N VAL B 33 12.060 9.709 22.739 1.00 0.00 N ATOM 1560 CA VAL B 33 12.670 8.900 21.663 1.00 0.00 C ATOM 1561 C VAL B 33 12.362 7.417 21.895 1.00 0.00 C ATOM 1562 O VAL B 33 12.385 6.971 23.045 1.00 0.00 O ATOM 1563 CB VAL B 33 14.203 9.088 21.590 1.00 0.00 C ATOM 1564 CG1 VAL B 33 14.794 8.504 20.305 1.00 0.00 C ATOM 1565 CG2 VAL B 33 14.666 10.550 21.717 1.00 0.00 C ATOM 0 H VAL B 33 12.206 9.301 23.662 1.00 0.00 H new ATOM 0 HA VAL B 33 12.242 9.239 20.720 1.00 0.00 H new ATOM 0 HB VAL B 33 14.575 8.542 22.457 1.00 0.00 H new ATOM 0 HG11 VAL B 33 15.873 8.659 20.297 1.00 0.00 H new ATOM 0 HG12 VAL B 33 14.581 7.436 20.259 1.00 0.00 H new ATOM 0 HG13 VAL B 33 14.350 9.000 19.442 1.00 0.00 H new ATOM 0 HG21 VAL B 33 15.753 10.594 21.656 1.00 0.00 H new ATOM 0 HG22 VAL B 33 14.233 11.140 20.909 1.00 0.00 H new ATOM 0 HG23 VAL B 33 14.340 10.953 22.676 1.00 0.00 H new ATOM 1575 N THR B 34 12.134 6.642 20.832 1.00 0.00 N ATOM 1576 CA THR B 34 11.946 5.181 20.872 1.00 0.00 C ATOM 1577 C THR B 34 12.925 4.499 19.915 1.00 0.00 C ATOM 1578 O THR B 34 13.041 4.917 18.761 1.00 0.00 O ATOM 1579 CB THR B 34 10.506 4.784 20.509 1.00 0.00 C ATOM 1580 OG1 THR B 34 9.552 5.513 21.260 1.00 0.00 O ATOM 1581 CG2 THR B 34 10.217 3.298 20.721 1.00 0.00 C ATOM 0 H THR B 34 12.072 7.022 19.887 1.00 0.00 H new ATOM 0 HA THR B 34 12.140 4.851 21.893 1.00 0.00 H new ATOM 0 HB THR B 34 10.419 5.017 19.448 1.00 0.00 H new ATOM 0 HG1 THR B 34 8.649 5.234 21.000 1.00 0.00 H new ATOM 0 HG21 THR B 34 9.184 3.085 20.446 1.00 0.00 H new ATOM 0 HG22 THR B 34 10.887 2.705 20.099 1.00 0.00 H new ATOM 0 HG23 THR B 34 10.373 3.043 21.769 1.00 0.00 H new ATOM 1589 N THR B 35 13.626 3.456 20.363 1.00 0.00 N ATOM 1590 CA THR B 35 14.626 2.721 19.565 1.00 0.00 C ATOM 1591 C THR B 35 14.104 1.390 19.008 1.00 0.00 C ATOM 1592 O THR B 35 13.084 0.859 19.450 1.00 0.00 O ATOM 1593 CB THR B 35 15.916 2.462 20.372 1.00 0.00 C ATOM 1594 OG1 THR B 35 15.688 1.514 21.394 1.00 0.00 O ATOM 1595 CG2 THR B 35 16.497 3.730 21.004 1.00 0.00 C ATOM 0 H THR B 35 13.517 3.087 21.308 1.00 0.00 H new ATOM 0 HA THR B 35 14.846 3.370 18.718 1.00 0.00 H new ATOM 0 HB THR B 35 16.641 2.081 19.652 1.00 0.00 H new ATOM 0 HG1 THR B 35 16.519 1.363 21.892 1.00 0.00 H new ATOM 0 HG21 THR B 35 17.402 3.479 21.557 1.00 0.00 H new ATOM 0 HG22 THR B 35 16.738 4.449 20.221 1.00 0.00 H new ATOM 0 HG23 THR B 35 15.765 4.166 21.684 1.00 0.00 H new ATOM 1603 N LEU B 36 14.846 0.821 18.050 1.00 0.00 N ATOM 1604 CA LEU B 36 14.644 -0.500 17.437 1.00 0.00 C ATOM 1605 C LEU B 36 14.452 -1.644 18.460 1.00 0.00 C ATOM 1606 O LEU B 36 13.762 -2.627 18.185 1.00 0.00 O ATOM 1607 CB LEU B 36 15.892 -0.751 16.568 1.00 0.00 C ATOM 1608 CG LEU B 36 15.962 -2.102 15.841 1.00 0.00 C ATOM 1609 CD1 LEU B 36 14.821 -2.257 14.841 1.00 0.00 C ATOM 1610 CD2 LEU B 36 17.285 -2.211 15.083 1.00 0.00 C ATOM 0 H LEU B 36 15.656 1.301 17.656 1.00 0.00 H new ATOM 0 HA LEU B 36 13.720 -0.495 16.859 1.00 0.00 H new ATOM 0 HB2 LEU B 36 15.953 0.041 15.822 1.00 0.00 H new ATOM 0 HB3 LEU B 36 16.773 -0.659 17.203 1.00 0.00 H new ATOM 0 HG LEU B 36 15.882 -2.886 16.594 1.00 0.00 H new ATOM 0 HD11 LEU B 36 14.901 -3.224 14.345 1.00 0.00 H new ATOM 0 HD12 LEU B 36 13.867 -2.196 15.365 1.00 0.00 H new ATOM 0 HD13 LEU B 36 14.878 -1.462 14.098 1.00 0.00 H new ATOM 0 HD21 LEU B 36 17.331 -3.171 14.568 1.00 0.00 H new ATOM 0 HD22 LEU B 36 17.354 -1.404 14.353 1.00 0.00 H new ATOM 0 HD23 LEU B 36 18.114 -2.136 15.786 1.00 0.00 H new ATOM 1622 N PHE B 37 15.039 -1.503 19.646 1.00 0.00 N ATOM 1623 CA PHE B 37 15.018 -2.481 20.743 1.00 0.00 C ATOM 1624 C PHE B 37 13.788 -2.349 21.672 1.00 0.00 C ATOM 1625 O PHE B 37 13.737 -2.983 22.727 1.00 0.00 O ATOM 1626 CB PHE B 37 16.348 -2.370 21.507 1.00 0.00 C ATOM 1627 CG PHE B 37 17.562 -2.361 20.588 1.00 0.00 C ATOM 1628 CD1 PHE B 37 18.247 -1.163 20.309 1.00 0.00 C ATOM 1629 CD2 PHE B 37 17.929 -3.544 19.909 1.00 0.00 C ATOM 1630 CE1 PHE B 37 19.289 -1.148 19.364 1.00 0.00 C ATOM 1631 CE2 PHE B 37 18.966 -3.525 18.960 1.00 0.00 C ATOM 1632 CZ PHE B 37 19.646 -2.324 18.687 1.00 0.00 C ATOM 0 H PHE B 37 15.569 -0.665 19.885 1.00 0.00 H new ATOM 0 HA PHE B 37 14.916 -3.479 20.317 1.00 0.00 H new ATOM 0 HB2 PHE B 37 16.343 -1.457 22.103 1.00 0.00 H new ATOM 0 HB3 PHE B 37 16.432 -3.205 22.203 1.00 0.00 H new ATOM 0 HD1 PHE B 37 17.972 -0.253 20.822 1.00 0.00 H new ATOM 0 HD2 PHE B 37 17.410 -4.468 20.120 1.00 0.00 H new ATOM 0 HE1 PHE B 37 19.816 -0.228 19.159 1.00 0.00 H new ATOM 0 HE2 PHE B 37 19.240 -4.432 18.441 1.00 0.00 H new ATOM 0 HZ PHE B 37 20.442 -2.307 17.957 1.00 0.00 H new ATOM 1642 N ASP B 38 12.802 -1.521 21.297 1.00 0.00 N ATOM 1643 CA ASP B 38 11.610 -1.144 22.084 1.00 0.00 C ATOM 1644 C ASP B 38 11.912 -0.402 23.408 1.00 0.00 C ATOM 1645 O ASP B 38 11.029 -0.230 24.253 1.00 0.00 O ATOM 1646 CB ASP B 38 10.648 -2.336 22.274 1.00 0.00 C ATOM 1647 CG ASP B 38 10.246 -3.049 20.969 1.00 0.00 C ATOM 1648 OD1 ASP B 38 10.074 -2.386 19.916 1.00 0.00 O ATOM 1649 OD2 ASP B 38 10.043 -4.288 20.996 1.00 0.00 O1- ATOM 0 H ASP B 38 12.812 -1.068 20.383 1.00 0.00 H new ATOM 0 HA ASP B 38 11.095 -0.399 21.478 1.00 0.00 H new ATOM 0 HB2 ASP B 38 11.116 -3.061 22.940 1.00 0.00 H new ATOM 0 HB3 ASP B 38 9.745 -1.982 22.772 1.00 0.00 H new ATOM 1654 N GLU B 39 13.149 0.070 23.589 1.00 0.00 N ATOM 1655 CA GLU B 39 13.532 0.991 24.668 1.00 0.00 C ATOM 1656 C GLU B 39 13.130 2.438 24.352 1.00 0.00 C ATOM 1657 O GLU B 39 12.887 2.808 23.199 1.00 0.00 O ATOM 1658 CB GLU B 39 15.040 0.903 24.961 1.00 0.00 C ATOM 1659 CG GLU B 39 15.471 -0.425 25.597 1.00 0.00 C ATOM 1660 CD GLU B 39 14.767 -0.742 26.937 1.00 0.00 C ATOM 1661 OE1 GLU B 39 14.586 -1.945 27.261 1.00 0.00 O ATOM 1662 OE2 GLU B 39 14.413 0.192 27.701 1.00 0.00 O1- ATOM 0 H GLU B 39 13.928 -0.181 22.980 1.00 0.00 H new ATOM 0 HA GLU B 39 12.987 0.683 25.561 1.00 0.00 H new ATOM 0 HB2 GLU B 39 15.590 1.045 24.031 1.00 0.00 H new ATOM 0 HB3 GLU B 39 15.320 1.721 25.625 1.00 0.00 H new ATOM 0 HG2 GLU B 39 15.271 -1.234 24.894 1.00 0.00 H new ATOM 0 HG3 GLU B 39 16.548 -0.404 25.761 1.00 0.00 H new ATOM 1669 N GLU B 40 13.076 3.266 25.398 1.00 0.00 N ATOM 1670 CA GLU B 40 12.715 4.686 25.323 1.00 0.00 C ATOM 1671 C GLU B 40 13.664 5.593 26.118 1.00 0.00 C ATOM 1672 O GLU B 40 14.255 5.178 27.120 1.00 0.00 O ATOM 1673 CB GLU B 40 11.267 4.939 25.784 1.00 0.00 C ATOM 1674 CG GLU B 40 10.214 4.325 24.852 1.00 0.00 C ATOM 1675 CD GLU B 40 8.786 4.780 25.217 1.00 0.00 C ATOM 1676 OE1 GLU B 40 8.522 6.006 25.282 1.00 0.00 O ATOM 1677 OE2 GLU B 40 7.898 3.913 25.413 1.00 0.00 O1- ATOM 0 H GLU B 40 13.288 2.960 26.348 1.00 0.00 H new ATOM 0 HA GLU B 40 12.807 4.944 24.268 1.00 0.00 H new ATOM 0 HB2 GLU B 40 11.136 4.531 26.786 1.00 0.00 H new ATOM 0 HB3 GLU B 40 11.098 6.014 25.853 1.00 0.00 H new ATOM 0 HG2 GLU B 40 10.433 4.607 23.822 1.00 0.00 H new ATOM 0 HG3 GLU B 40 10.273 3.238 24.904 1.00 0.00 H new ATOM 1684 N HIS B 41 13.747 6.851 25.685 1.00 0.00 N ATOM 1685 CA HIS B 41 14.456 7.949 26.350 1.00 0.00 C ATOM 1686 C HIS B 41 13.542 9.177 26.467 1.00 0.00 C ATOM 1687 O HIS B 41 12.642 9.353 25.640 1.00 0.00 O ATOM 1688 CB HIS B 41 15.738 8.302 25.569 1.00 0.00 C ATOM 1689 CG HIS B 41 16.666 7.133 25.331 1.00 0.00 C ATOM 1690 ND1 HIS B 41 17.589 6.623 26.252 1.00 0.00 N ATOM 1691 CD2 HIS B 41 16.726 6.386 24.190 1.00 0.00 C ATOM 1692 CE1 HIS B 41 18.181 5.584 25.639 1.00 0.00 C ATOM 1693 NE2 HIS B 41 17.682 5.419 24.405 1.00 0.00 N ATOM 0 H HIS B 41 13.300 7.149 24.818 1.00 0.00 H new ATOM 0 HA HIS B 41 14.737 7.631 27.354 1.00 0.00 H new ATOM 0 HB2 HIS B 41 15.456 8.729 24.606 1.00 0.00 H new ATOM 0 HB3 HIS B 41 16.280 9.075 26.114 1.00 0.00 H new ATOM 0 HD2 HIS B 41 16.139 6.526 23.294 1.00 0.00 H new ATOM 0 HE1 HIS B 41 18.951 4.968 26.079 1.00 0.00 H new ATOM 0 HE2 HIS B 41 17.963 4.699 23.739 1.00 0.00 H new ATOM 1701 N ALA B 42 13.788 10.039 27.456 1.00 0.00 N ATOM 1702 CA ALA B 42 13.068 11.298 27.650 1.00 0.00 C ATOM 1703 C ALA B 42 14.020 12.424 28.105 1.00 0.00 C ATOM 1704 O ALA B 42 14.861 12.228 28.989 1.00 0.00 O ATOM 1705 CB ALA B 42 11.911 11.103 28.637 1.00 0.00 C ATOM 0 H ALA B 42 14.509 9.877 28.159 1.00 0.00 H new ATOM 0 HA ALA B 42 12.647 11.604 26.692 1.00 0.00 H new ATOM 0 HB1 ALA B 42 11.384 12.048 28.772 1.00 0.00 H new ATOM 0 HB2 ALA B 42 11.221 10.356 28.246 1.00 0.00 H new ATOM 0 HB3 ALA B 42 12.304 10.767 29.596 1.00 0.00 H new ATOM 1711 N PHE B 43 13.857 13.607 27.511 1.00 0.00 N ATOM 1712 CA PHE B 43 14.727 14.774 27.691 1.00 0.00 C ATOM 1713 C PHE B 43 13.892 16.040 27.961 1.00 0.00 C ATOM 1714 O PHE B 43 13.467 16.708 27.010 1.00 0.00 O ATOM 1715 CB PHE B 43 15.626 14.912 26.454 1.00 0.00 C ATOM 1716 CG PHE B 43 16.495 13.694 26.189 1.00 0.00 C ATOM 1717 CD1 PHE B 43 17.593 13.405 27.030 1.00 0.00 C ATOM 1718 CD2 PHE B 43 16.191 12.833 25.118 1.00 0.00 C ATOM 1719 CE1 PHE B 43 18.379 12.262 26.791 1.00 0.00 C ATOM 1720 CE2 PHE B 43 16.977 11.690 24.884 1.00 0.00 C ATOM 1721 CZ PHE B 43 18.078 11.408 25.715 1.00 0.00 C ATOM 0 H PHE B 43 13.087 13.787 26.867 1.00 0.00 H new ATOM 0 HA PHE B 43 15.365 14.639 28.565 1.00 0.00 H new ATOM 0 HB2 PHE B 43 15.001 15.098 25.581 1.00 0.00 H new ATOM 0 HB3 PHE B 43 16.267 15.784 26.578 1.00 0.00 H new ATOM 0 HD1 PHE B 43 17.829 14.060 27.855 1.00 0.00 H new ATOM 0 HD2 PHE B 43 15.352 13.050 24.474 1.00 0.00 H new ATOM 0 HE1 PHE B 43 19.216 12.040 27.436 1.00 0.00 H new ATOM 0 HE2 PHE B 43 16.736 11.028 24.066 1.00 0.00 H new ATOM 0 HZ PHE B 43 18.690 10.538 25.527 1.00 0.00 H new ATOM 1731 N PRO B 44 13.600 16.368 29.235 1.00 0.00 N ATOM 1732 CA PRO B 44 12.788 17.531 29.589 1.00 0.00 C ATOM 1733 C PRO B 44 13.430 18.865 29.176 1.00 0.00 C ATOM 1734 O PRO B 44 14.652 19.039 29.218 1.00 0.00 O ATOM 1735 CB PRO B 44 12.529 17.423 31.099 1.00 0.00 C ATOM 1736 CG PRO B 44 13.646 16.525 31.614 1.00 0.00 C ATOM 1737 CD PRO B 44 13.952 15.615 30.430 1.00 0.00 C ATOM 0 HA PRO B 44 11.848 17.529 29.037 1.00 0.00 H new ATOM 0 HB2 PRO B 44 12.555 18.402 31.577 1.00 0.00 H new ATOM 0 HB3 PRO B 44 11.548 16.994 31.304 1.00 0.00 H new ATOM 0 HG2 PRO B 44 14.521 17.104 31.911 1.00 0.00 H new ATOM 0 HG3 PRO B 44 13.330 15.954 32.487 1.00 0.00 H new ATOM 0 HD2 PRO B 44 15.005 15.335 30.417 1.00 0.00 H new ATOM 0 HD3 PRO B 44 13.377 14.691 30.491 1.00 0.00 H new ATOM 1745 N GLY B 45 12.586 19.812 28.764 1.00 0.00 N ATOM 1746 CA GLY B 45 12.963 21.155 28.312 1.00 0.00 C ATOM 1747 C GLY B 45 13.356 21.259 26.830 1.00 0.00 C ATOM 1748 O GLY B 45 13.649 22.367 26.369 1.00 0.00 O ATOM 0 H GLY B 45 11.578 19.659 28.734 1.00 0.00 H new ATOM 0 HA2 GLY B 45 12.129 21.832 28.499 1.00 0.00 H new ATOM 0 HA3 GLY B 45 13.799 21.504 28.919 1.00 0.00 H new ATOM 1752 N LEU B 46 13.355 20.151 26.070 1.00 0.00 N ATOM 1753 CA LEU B 46 13.649 20.133 24.627 1.00 0.00 C ATOM 1754 C LEU B 46 12.392 20.131 23.735 1.00 0.00 C ATOM 1755 O LEU B 46 11.294 19.778 24.175 1.00 0.00 O ATOM 1756 CB LEU B 46 14.550 18.927 24.281 1.00 0.00 C ATOM 1757 CG LEU B 46 15.915 18.843 24.990 1.00 0.00 C ATOM 1758 CD1 LEU B 46 16.717 17.688 24.396 1.00 0.00 C ATOM 1759 CD2 LEU B 46 16.773 20.100 24.821 1.00 0.00 C ATOM 0 H LEU B 46 13.146 19.227 26.448 1.00 0.00 H new ATOM 0 HA LEU B 46 14.172 21.065 24.413 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.996 18.016 24.506 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.728 18.935 23.206 1.00 0.00 H new ATOM 0 HG LEU B 46 15.695 18.712 26.049 1.00 0.00 H new ATOM 0 HD11 LEU B 46 17.685 17.623 24.894 1.00 0.00 H new ATOM 0 HD12 LEU B 46 16.172 16.755 24.539 1.00 0.00 H new ATOM 0 HD13 LEU B 46 16.868 17.860 23.330 1.00 0.00 H new ATOM 0 HD21 LEU B 46 17.719 19.968 25.347 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.967 20.268 23.762 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.245 20.959 25.234 1.00 0.00 H new ATOM 1771 N ALA B 47 12.596 20.442 22.455 1.00 0.00 N ATOM 1772 CA ALA B 47 11.726 20.150 21.314 1.00 0.00 C ATOM 1773 C ALA B 47 12.571 19.749 20.077 1.00 0.00 C ATOM 1774 O ALA B 47 13.788 19.960 20.042 1.00 0.00 O ATOM 1775 CB ALA B 47 10.829 21.367 21.038 1.00 0.00 C ATOM 0 H ALA B 47 13.437 20.942 22.166 1.00 0.00 H new ATOM 0 HA ALA B 47 11.082 19.301 21.543 1.00 0.00 H new ATOM 0 HB1 ALA B 47 10.179 21.155 20.189 1.00 0.00 H new ATOM 0 HB2 ALA B 47 10.220 21.577 21.917 1.00 0.00 H new ATOM 0 HB3 ALA B 47 11.451 22.233 20.811 1.00 0.00 H new ATOM 1781 N ILE B 48 11.938 19.160 19.060 1.00 0.00 N ATOM 1782 CA ILE B 48 12.604 18.780 17.801 1.00 0.00 C ATOM 1783 C ILE B 48 12.905 20.049 16.976 1.00 0.00 C ATOM 1784 O ILE B 48 11.994 20.810 16.629 1.00 0.00 O ATOM 1785 CB ILE B 48 11.746 17.755 17.022 1.00 0.00 C ATOM 1786 CG1 ILE B 48 11.519 16.439 17.813 1.00 0.00 C ATOM 1787 CG2 ILE B 48 12.390 17.420 15.666 1.00 0.00 C ATOM 1788 CD1 ILE B 48 10.199 15.754 17.437 1.00 0.00 C ATOM 0 H ILE B 48 10.945 18.930 19.082 1.00 0.00 H new ATOM 0 HA ILE B 48 13.554 18.291 18.016 1.00 0.00 H new ATOM 0 HB ILE B 48 10.776 18.228 16.868 1.00 0.00 H new ATOM 0 HG12 ILE B 48 12.347 15.756 17.623 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.522 16.655 18.881 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.769 16.698 15.137 1.00 0.00 H new ATOM 0 HG22 ILE B 48 12.477 18.329 15.070 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.381 16.996 15.829 1.00 0.00 H new ATOM 0 HD11 ILE B 48 10.086 14.838 18.017 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.367 16.425 17.652 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.205 15.512 16.374 1.00 0.00 H new ATOM 1800 N GLY B 49 14.187 20.290 16.678 1.00 0.00 N ATOM 1801 CA GLY B 49 14.660 21.497 15.993 1.00 0.00 C ATOM 1802 C GLY B 49 14.814 21.336 14.476 1.00 0.00 C ATOM 1803 O GLY B 49 14.488 22.255 13.729 1.00 0.00 O ATOM 0 H GLY B 49 14.938 19.640 16.911 1.00 0.00 H new ATOM 0 HA2 GLY B 49 13.964 22.311 16.192 1.00 0.00 H new ATOM 0 HA3 GLY B 49 15.621 21.789 16.416 1.00 0.00 H new ATOM 1807 N ARG B 50 15.281 20.174 14.011 1.00 0.00 N ATOM 1808 CA ARG B 50 15.585 19.873 12.600 1.00 0.00 C ATOM 1809 C ARG B 50 15.454 18.374 12.322 1.00 0.00 C ATOM 1810 O ARG B 50 15.849 17.559 13.157 1.00 0.00 O ATOM 1811 CB ARG B 50 17.012 20.383 12.294 1.00 0.00 C ATOM 1812 CG ARG B 50 17.511 20.118 10.863 1.00 0.00 C ATOM 1813 CD ARG B 50 18.948 20.636 10.705 1.00 0.00 C ATOM 1814 NE ARG B 50 19.486 20.377 9.353 1.00 0.00 N ATOM 1815 CZ ARG B 50 19.275 21.095 8.264 1.00 0.00 C ATOM 1816 NH1 ARG B 50 18.600 22.212 8.285 1.00 0.00 N1+ ATOM 1817 NH2 ARG B 50 19.719 20.698 7.112 1.00 0.00 N ATOM 0 H ARG B 50 15.467 19.383 14.627 1.00 0.00 H new ATOM 0 HA ARG B 50 14.872 20.377 11.948 1.00 0.00 H new ATOM 0 HB2 ARG B 50 17.044 21.457 12.480 1.00 0.00 H new ATOM 0 HB3 ARG B 50 17.705 19.917 12.995 1.00 0.00 H new ATOM 0 HG2 ARG B 50 17.475 19.050 10.648 1.00 0.00 H new ATOM 0 HG3 ARG B 50 16.857 20.610 10.144 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.971 21.707 10.905 1.00 0.00 H new ATOM 0 HD3 ARG B 50 19.588 20.159 11.447 1.00 0.00 H new ATOM 0 HE ARG B 50 20.084 19.557 9.250 1.00 0.00 H new ATOM 0 HH11 ARG B 50 18.214 22.558 9.163 1.00 0.00 H new ATOM 0 HH12 ARG B 50 18.458 22.738 7.423 1.00 0.00 H new ATOM 0 HH21 ARG B 50 20.238 19.823 7.039 1.00 0.00 H new ATOM 0 HH22 ARG B 50 19.550 21.261 6.279 1.00 0.00 H new ATOM 1831 N VAL B 51 14.992 18.016 11.122 1.00 0.00 N ATOM 1832 CA VAL B 51 15.191 16.678 10.540 1.00 0.00 C ATOM 1833 C VAL B 51 15.786 16.817 9.137 1.00 0.00 C ATOM 1834 O VAL B 51 15.247 17.540 8.299 1.00 0.00 O ATOM 1835 CB VAL B 51 13.903 15.827 10.502 1.00 0.00 C ATOM 1836 CG1 VAL B 51 14.241 14.351 10.263 1.00 0.00 C ATOM 1837 CG2 VAL B 51 13.057 15.941 11.778 1.00 0.00 C ATOM 0 H VAL B 51 14.465 18.648 10.519 1.00 0.00 H new ATOM 0 HA VAL B 51 15.883 16.144 11.191 1.00 0.00 H new ATOM 0 HB VAL B 51 13.310 16.224 9.678 1.00 0.00 H new ATOM 0 HG11 VAL B 51 13.321 13.766 10.239 1.00 0.00 H new ATOM 0 HG12 VAL B 51 14.762 14.247 9.311 1.00 0.00 H new ATOM 0 HG13 VAL B 51 14.880 13.989 11.068 1.00 0.00 H new ATOM 0 HG21 VAL B 51 12.168 15.318 11.682 1.00 0.00 H new ATOM 0 HG22 VAL B 51 13.643 15.608 12.634 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.758 16.979 11.925 1.00 0.00 H new ATOM 1847 N ASP B 52 16.910 16.148 8.880 1.00 0.00 N ATOM 1848 CA ASP B 52 17.670 16.222 7.627 1.00 0.00 C ATOM 1849 C ASP B 52 17.712 14.846 6.946 1.00 0.00 C ATOM 1850 O ASP B 52 18.593 14.014 7.204 1.00 0.00 O ATOM 1851 CB ASP B 52 19.057 16.812 7.933 1.00 0.00 C ATOM 1852 CG ASP B 52 19.836 17.267 6.688 1.00 0.00 C ATOM 1853 OD1 ASP B 52 20.750 18.109 6.851 1.00 0.00 O ATOM 1854 OD2 ASP B 52 19.513 16.841 5.553 1.00 0.00 O1- ATOM 0 H ASP B 52 17.333 15.517 9.561 1.00 0.00 H new ATOM 0 HA ASP B 52 17.186 16.884 6.909 1.00 0.00 H new ATOM 0 HB2 ASP B 52 18.938 17.662 8.604 1.00 0.00 H new ATOM 0 HB3 ASP B 52 19.648 16.066 8.465 1.00 0.00 H new ATOM 1859 N LEU B 53 16.714 14.580 6.100 1.00 0.00 N ATOM 1860 CA LEU B 53 16.435 13.275 5.486 1.00 0.00 C ATOM 1861 C LEU B 53 17.496 12.848 4.455 1.00 0.00 C ATOM 1862 O LEU B 53 17.536 11.677 4.066 1.00 0.00 O ATOM 1863 CB LEU B 53 15.027 13.279 4.853 1.00 0.00 C ATOM 1864 CG LEU B 53 13.798 13.472 5.764 1.00 0.00 C ATOM 1865 CD1 LEU B 53 13.768 12.445 6.896 1.00 0.00 C ATOM 1866 CD2 LEU B 53 13.634 14.870 6.363 1.00 0.00 C ATOM 0 H LEU B 53 16.049 15.297 5.810 1.00 0.00 H new ATOM 0 HA LEU B 53 16.475 12.534 6.285 1.00 0.00 H new ATOM 0 HB2 LEU B 53 15.006 14.068 4.101 1.00 0.00 H new ATOM 0 HB3 LEU B 53 14.901 12.333 4.326 1.00 0.00 H new ATOM 0 HG LEU B 53 12.958 13.325 5.085 1.00 0.00 H new ATOM 0 HD11 LEU B 53 12.888 12.613 7.516 1.00 0.00 H new ATOM 0 HD12 LEU B 53 13.729 11.440 6.475 1.00 0.00 H new ATOM 0 HD13 LEU B 53 14.666 12.548 7.505 1.00 0.00 H new ATOM 0 HD21 LEU B 53 12.740 14.896 6.986 1.00 0.00 H new ATOM 0 HD22 LEU B 53 14.507 15.110 6.970 1.00 0.00 H new ATOM 0 HD23 LEU B 53 13.538 15.601 5.560 1.00 0.00 H new ATOM 1878 N ARG B 54 18.393 13.765 4.062 1.00 0.00 N ATOM 1879 CA ARG B 54 19.594 13.470 3.255 1.00 0.00 C ATOM 1880 C ARG B 54 20.583 12.542 3.983 1.00 0.00 C ATOM 1881 O ARG B 54 21.356 11.844 3.330 1.00 0.00 O ATOM 1882 CB ARG B 54 20.321 14.778 2.903 1.00 0.00 C ATOM 1883 CG ARG B 54 19.441 15.872 2.271 1.00 0.00 C ATOM 1884 CD ARG B 54 20.324 17.075 1.930 1.00 0.00 C ATOM 1885 NE ARG B 54 19.538 18.287 1.640 1.00 0.00 N ATOM 1886 CZ ARG B 54 19.159 19.192 2.528 1.00 0.00 C ATOM 1887 NH1 ARG B 54 19.275 19.029 3.811 1.00 0.00 N1+ ATOM 1888 NH2 ARG B 54 18.645 20.331 2.168 1.00 0.00 N ATOM 0 H ARG B 54 18.305 14.753 4.299 1.00 0.00 H new ATOM 0 HA ARG B 54 19.250 12.960 2.355 1.00 0.00 H new ATOM 0 HB2 ARG B 54 20.773 15.178 3.810 1.00 0.00 H new ATOM 0 HB3 ARG B 54 21.135 14.548 2.216 1.00 0.00 H new ATOM 0 HG2 ARG B 54 18.954 15.493 1.372 1.00 0.00 H new ATOM 0 HG3 ARG B 54 18.651 16.167 2.961 1.00 0.00 H new ATOM 0 HD2 ARG B 54 20.999 17.274 2.763 1.00 0.00 H new ATOM 0 HD3 ARG B 54 20.945 16.833 1.067 1.00 0.00 H new ATOM 0 HE ARG B 54 19.262 18.442 0.670 1.00 0.00 H new ATOM 0 HH11 ARG B 54 19.676 18.167 4.181 1.00 0.00 H new ATOM 0 HH12 ARG B 54 18.965 19.763 4.448 1.00 0.00 H new ATOM 0 HH21 ARG B 54 18.525 20.546 1.178 1.00 0.00 H new ATOM 0 HH22 ARG B 54 18.362 21.009 2.875 1.00 0.00 H new ATOM 1902 N SER B 55 20.556 12.538 5.319 1.00 0.00 N ATOM 1903 CA SER B 55 21.445 11.763 6.196 1.00 0.00 C ATOM 1904 C SER B 55 20.690 10.952 7.273 1.00 0.00 C ATOM 1905 O SER B 55 21.220 9.956 7.777 1.00 0.00 O ATOM 1906 CB SER B 55 22.453 12.744 6.818 1.00 0.00 C ATOM 1907 OG SER B 55 23.436 12.083 7.598 1.00 0.00 O ATOM 0 H SER B 55 19.885 13.099 5.844 1.00 0.00 H new ATOM 0 HA SER B 55 21.961 11.009 5.602 1.00 0.00 H new ATOM 0 HB2 SER B 55 22.942 13.310 6.025 1.00 0.00 H new ATOM 0 HB3 SER B 55 21.920 13.462 7.441 1.00 0.00 H new ATOM 0 HG SER B 55 24.055 12.744 7.972 1.00 0.00 H new ATOM 1913 N GLY B 56 19.447 11.332 7.605 1.00 0.00 N ATOM 1914 CA GLY B 56 18.622 10.706 8.647 1.00 0.00 C ATOM 1915 C GLY B 56 18.898 11.236 10.057 1.00 0.00 C ATOM 1916 O GLY B 56 18.663 10.525 11.037 1.00 0.00 O ATOM 0 H GLY B 56 18.974 12.108 7.141 1.00 0.00 H new ATOM 0 HA2 GLY B 56 17.570 10.865 8.409 1.00 0.00 H new ATOM 0 HA3 GLY B 56 18.792 9.629 8.634 1.00 0.00 H new ATOM 1920 N VAL B 57 19.426 12.458 10.182 1.00 0.00 N ATOM 1921 CA VAL B 57 19.726 13.098 11.481 1.00 0.00 C ATOM 1922 C VAL B 57 18.541 13.934 11.977 1.00 0.00 C ATOM 1923 O VAL B 57 18.046 14.806 11.257 1.00 0.00 O ATOM 1924 CB VAL B 57 21.014 13.944 11.408 1.00 0.00 C ATOM 1925 CG1 VAL B 57 21.347 14.594 12.756 1.00 0.00 C ATOM 1926 CG2 VAL B 57 22.218 13.078 11.024 1.00 0.00 C ATOM 0 H VAL B 57 19.662 13.042 9.380 1.00 0.00 H new ATOM 0 HA VAL B 57 19.896 12.302 12.206 1.00 0.00 H new ATOM 0 HB VAL B 57 20.827 14.711 10.656 1.00 0.00 H new ATOM 0 HG11 VAL B 57 22.261 15.181 12.661 1.00 0.00 H new ATOM 0 HG12 VAL B 57 20.527 15.246 13.058 1.00 0.00 H new ATOM 0 HG13 VAL B 57 21.490 13.818 13.508 1.00 0.00 H new ATOM 0 HG21 VAL B 57 23.113 13.698 10.979 1.00 0.00 H new ATOM 0 HG22 VAL B 57 22.356 12.295 11.770 1.00 0.00 H new ATOM 0 HG23 VAL B 57 22.043 12.623 10.049 1.00 0.00 H new ATOM 1936 N ILE B 58 18.128 13.683 13.217 1.00 0.00 N ATOM 1937 CA ILE B 58 17.212 14.501 14.016 1.00 0.00 C ATOM 1938 C ILE B 58 18.045 15.305 15.022 1.00 0.00 C ATOM 1939 O ILE B 58 18.759 14.715 15.835 1.00 0.00 O ATOM 1940 CB ILE B 58 16.191 13.592 14.738 1.00 0.00 C ATOM 1941 CG1 ILE B 58 15.247 12.882 13.745 1.00 0.00 C ATOM 1942 CG2 ILE B 58 15.373 14.365 15.781 1.00 0.00 C ATOM 1943 CD1 ILE B 58 14.600 11.620 14.334 1.00 0.00 C ATOM 0 H ILE B 58 18.441 12.855 13.723 1.00 0.00 H new ATOM 0 HA ILE B 58 16.652 15.186 13.380 1.00 0.00 H new ATOM 0 HB ILE B 58 16.774 12.831 15.257 1.00 0.00 H new ATOM 0 HG12 ILE B 58 14.464 13.575 13.436 1.00 0.00 H new ATOM 0 HG13 ILE B 58 15.806 12.613 12.849 1.00 0.00 H new ATOM 0 HG21 ILE B 58 14.668 13.689 16.265 1.00 0.00 H new ATOM 0 HG22 ILE B 58 16.044 14.786 16.530 1.00 0.00 H new ATOM 0 HG23 ILE B 58 14.826 15.170 15.290 1.00 0.00 H new ATOM 0 HD11 ILE B 58 13.947 11.164 13.589 1.00 0.00 H new ATOM 0 HD12 ILE B 58 15.378 10.911 14.617 1.00 0.00 H new ATOM 0 HD13 ILE B 58 14.015 11.888 15.214 1.00 0.00 H new ATOM 1955 N SER B 59 17.936 16.634 15.009 1.00 0.00 N ATOM 1956 CA SER B 59 18.621 17.529 15.962 1.00 0.00 C ATOM 1957 C SER B 59 17.622 18.215 16.893 1.00 0.00 C ATOM 1958 O SER B 59 16.639 18.805 16.426 1.00 0.00 O ATOM 1959 CB SER B 59 19.477 18.575 15.243 1.00 0.00 C ATOM 1960 OG SER B 59 20.410 17.963 14.358 1.00 0.00 O ATOM 0 H SER B 59 17.363 17.133 14.329 1.00 0.00 H new ATOM 0 HA SER B 59 19.284 16.905 16.562 1.00 0.00 H new ATOM 0 HB2 SER B 59 18.832 19.252 14.683 1.00 0.00 H new ATOM 0 HB3 SER B 59 20.011 19.178 15.978 1.00 0.00 H new ATOM 0 HG SER B 59 20.941 18.656 13.912 1.00 0.00 H new ATOM 1966 N LEU B 60 17.856 18.144 18.205 1.00 0.00 N ATOM 1967 CA LEU B 60 16.989 18.754 19.225 1.00 0.00 C ATOM 1968 C LEU B 60 17.505 20.124 19.697 1.00 0.00 C ATOM 1969 O LEU B 60 18.707 20.402 19.672 1.00 0.00 O ATOM 1970 CB LEU B 60 16.810 17.788 20.410 1.00 0.00 C ATOM 1971 CG LEU B 60 16.444 16.332 20.057 1.00 0.00 C ATOM 1972 CD1 LEU B 60 16.166 15.561 21.350 1.00 0.00 C ATOM 1973 CD2 LEU B 60 15.204 16.233 19.164 1.00 0.00 C ATOM 0 H LEU B 60 18.661 17.656 18.597 1.00 0.00 H new ATOM 0 HA LEU B 60 16.018 18.936 18.765 1.00 0.00 H new ATOM 0 HB2 LEU B 60 17.736 17.778 20.986 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.033 18.187 21.062 1.00 0.00 H new ATOM 0 HG LEU B 60 17.287 15.912 19.509 1.00 0.00 H new ATOM 0 HD11 LEU B 60 15.906 14.530 21.110 1.00 0.00 H new ATOM 0 HD12 LEU B 60 17.056 15.574 21.980 1.00 0.00 H new ATOM 0 HD13 LEU B 60 15.338 16.029 21.882 1.00 0.00 H new ATOM 0 HD21 LEU B 60 14.994 15.185 18.948 1.00 0.00 H new ATOM 0 HD22 LEU B 60 14.350 16.676 19.677 1.00 0.00 H new ATOM 0 HD23 LEU B 60 15.384 16.767 18.231 1.00 0.00 H new ATOM 1985 N ILE B 61 16.582 20.969 20.156 1.00 0.00 N ATOM 1986 CA ILE B 61 16.813 22.325 20.686 1.00 0.00 C ATOM 1987 C ILE B 61 16.010 22.541 21.975 1.00 0.00 C ATOM 1988 O ILE B 61 15.041 21.826 22.224 1.00 0.00 O ATOM 1989 CB ILE B 61 16.508 23.410 19.614 1.00 0.00 C ATOM 1990 CG1 ILE B 61 15.094 23.355 18.981 1.00 0.00 C ATOM 1991 CG2 ILE B 61 17.556 23.338 18.491 1.00 0.00 C ATOM 1992 CD1 ILE B 61 13.974 24.012 19.798 1.00 0.00 C ATOM 0 H ILE B 61 15.594 20.717 20.171 1.00 0.00 H new ATOM 0 HA ILE B 61 17.869 22.423 20.937 1.00 0.00 H new ATOM 0 HB ILE B 61 16.550 24.354 20.158 1.00 0.00 H new ATOM 0 HG12 ILE B 61 15.135 23.835 18.003 1.00 0.00 H new ATOM 0 HG13 ILE B 61 14.831 22.311 18.813 1.00 0.00 H new ATOM 0 HG21 ILE B 61 17.339 24.099 17.742 1.00 0.00 H new ATOM 0 HG22 ILE B 61 18.548 23.511 18.908 1.00 0.00 H new ATOM 0 HG23 ILE B 61 17.524 22.352 18.026 1.00 0.00 H new ATOM 0 HD11 ILE B 61 13.029 23.916 19.263 1.00 0.00 H new ATOM 0 HD12 ILE B 61 13.894 23.520 20.767 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.202 25.068 19.945 1.00 0.00 H new ATOM 2004 N GLU B 62 16.388 23.506 22.820 1.00 0.00 N ATOM 2005 CA GLU B 62 15.594 23.850 24.007 1.00 0.00 C ATOM 2006 C GLU B 62 14.308 24.613 23.633 1.00 0.00 C ATOM 2007 O GLU B 62 14.335 25.571 22.856 1.00 0.00 O ATOM 2008 CB GLU B 62 16.426 24.600 25.063 1.00 0.00 C ATOM 2009 CG GLU B 62 16.947 25.980 24.635 1.00 0.00 C ATOM 2010 CD GLU B 62 17.860 26.600 25.708 1.00 0.00 C ATOM 2011 OE1 GLU B 62 18.942 27.132 25.354 1.00 0.00 O ATOM 2012 OE2 GLU B 62 17.503 26.582 26.911 1.00 0.00 O1- ATOM 0 H GLU B 62 17.236 24.062 22.706 1.00 0.00 H new ATOM 0 HA GLU B 62 15.284 22.911 24.465 1.00 0.00 H new ATOM 0 HB2 GLU B 62 15.818 24.722 25.960 1.00 0.00 H new ATOM 0 HB3 GLU B 62 17.278 23.978 25.338 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.497 25.887 23.698 1.00 0.00 H new ATOM 0 HG3 GLU B 62 16.104 26.645 24.446 1.00 0.00 H new ATOM 2019 N GLU B 63 13.174 24.190 24.191 1.00 0.00 N ATOM 2020 CA GLU B 63 11.895 24.917 24.103 1.00 0.00 C ATOM 2021 C GLU B 63 11.672 25.844 25.314 1.00 0.00 C ATOM 2022 O GLU B 63 10.825 26.738 25.271 1.00 0.00 O ATOM 2023 CB GLU B 63 10.747 23.918 23.877 1.00 0.00 C ATOM 2024 CG GLU B 63 10.281 23.107 25.104 1.00 0.00 C ATOM 2025 CD GLU B 63 9.327 23.866 26.045 1.00 0.00 C ATOM 2026 OE1 GLU B 63 8.472 24.647 25.568 1.00 0.00 O ATOM 2027 OE2 GLU B 63 9.421 23.662 27.282 1.00 0.00 O1- ATOM 0 H GLU B 63 13.110 23.323 24.725 1.00 0.00 H new ATOM 0 HA GLU B 63 11.923 25.584 23.242 1.00 0.00 H new ATOM 0 HB2 GLU B 63 9.890 24.467 23.487 1.00 0.00 H new ATOM 0 HB3 GLU B 63 11.055 23.216 23.102 1.00 0.00 H new ATOM 0 HG2 GLU B 63 9.785 22.201 24.758 1.00 0.00 H new ATOM 0 HG3 GLU B 63 11.158 22.794 25.671 1.00 0.00 H new