USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 851 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -55:sc= 0.0412 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl -138:sc= -0.0538 (180deg=-0.311) USER MOD Single : B 5 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.12) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0.756 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 -57:sc= 0.04 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 10.707 11.752 3.992 1.00 0.00 N ATOM 88 CA ALA A 4 9.545 11.879 4.876 1.00 0.00 C ATOM 89 C ALA A 4 8.353 12.582 4.196 1.00 0.00 C ATOM 90 O ALA A 4 8.476 13.168 3.115 1.00 0.00 O ATOM 91 CB ALA A 4 9.971 12.628 6.153 1.00 0.00 C ATOM 0 HA ALA A 4 9.198 10.877 5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.114 12.729 6.819 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.759 12.068 6.657 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.342 13.618 5.888 1.00 0.00 H new ATOM 97 N LYS A 5 7.198 12.535 4.866 1.00 0.00 N ATOM 98 CA LYS A 5 5.965 13.264 4.539 1.00 0.00 C ATOM 99 C LYS A 5 5.462 14.065 5.746 1.00 0.00 C ATOM 100 O LYS A 5 5.438 13.562 6.871 1.00 0.00 O ATOM 101 CB LYS A 5 4.905 12.304 3.968 1.00 0.00 C ATOM 102 CG LYS A 5 4.521 11.126 4.887 1.00 0.00 C ATOM 103 CD LYS A 5 3.558 10.173 4.169 1.00 0.00 C ATOM 104 CE LYS A 5 3.229 8.969 5.053 1.00 0.00 C ATOM 105 NZ LYS A 5 2.330 8.003 4.365 1.00 0.00 N1+ ATOM 0 H LYS A 5 7.090 11.955 5.698 1.00 0.00 H new ATOM 0 HA LYS A 5 6.181 13.994 3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.005 12.876 3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.273 11.902 3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.418 10.586 5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.056 11.504 5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.641 10.702 3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.004 9.833 3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.153 8.465 5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.756 9.313 5.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.132 7.202 4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.438 8.476 4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.791 7.655 3.500 1.00 0.00 H new ATOM 119 N VAL A 6 5.108 15.323 5.513 1.00 0.00 N ATOM 120 CA VAL A 6 4.698 16.311 6.527 1.00 0.00 C ATOM 121 C VAL A 6 3.170 16.440 6.574 1.00 0.00 C ATOM 122 O VAL A 6 2.513 16.431 5.533 1.00 0.00 O ATOM 123 CB VAL A 6 5.391 17.664 6.254 1.00 0.00 C ATOM 124 CG1 VAL A 6 4.745 18.866 6.955 1.00 0.00 C ATOM 125 CG2 VAL A 6 6.860 17.612 6.690 1.00 0.00 C ATOM 0 H VAL A 6 5.095 15.709 4.569 1.00 0.00 H new ATOM 0 HA VAL A 6 5.016 15.969 7.512 1.00 0.00 H new ATOM 0 HB VAL A 6 5.288 17.812 5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.297 19.772 6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.712 18.968 6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.766 18.713 8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.333 18.574 6.490 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.915 17.395 7.757 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.377 16.831 6.133 1.00 0.00 H new ATOM 135 N VAL A 7 2.618 16.625 7.774 1.00 0.00 N ATOM 136 CA VAL A 7 1.216 17.009 8.018 1.00 0.00 C ATOM 137 C VAL A 7 1.111 18.076 9.118 1.00 0.00 C ATOM 138 O VAL A 7 1.847 18.048 10.110 1.00 0.00 O ATOM 139 CB VAL A 7 0.330 15.772 8.285 1.00 0.00 C ATOM 140 CG1 VAL A 7 0.805 14.935 9.484 1.00 0.00 C ATOM 141 CG2 VAL A 7 -1.140 16.150 8.511 1.00 0.00 C ATOM 0 H VAL A 7 3.149 16.509 8.637 1.00 0.00 H new ATOM 0 HA VAL A 7 0.828 17.469 7.110 1.00 0.00 H new ATOM 0 HB VAL A 7 0.420 15.170 7.381 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.140 14.081 9.618 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.819 14.580 9.301 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.792 15.549 10.384 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.724 15.248 8.695 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.217 16.813 9.372 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.525 16.658 7.627 1.00 0.00 H new ATOM 151 N LEU A 8 0.205 19.039 8.937 1.00 0.00 N ATOM 152 CA LEU A 8 -0.005 20.182 9.832 1.00 0.00 C ATOM 153 C LEU A 8 -1.433 20.757 9.739 1.00 0.00 C ATOM 154 O LEU A 8 -2.184 20.454 8.810 1.00 0.00 O ATOM 155 CB LEU A 8 1.044 21.269 9.499 1.00 0.00 C ATOM 156 CG LEU A 8 0.899 21.906 8.100 1.00 0.00 C ATOM 157 CD1 LEU A 8 1.028 23.424 8.171 1.00 0.00 C ATOM 158 CD2 LEU A 8 1.952 21.389 7.118 1.00 0.00 C ATOM 0 H LEU A 8 -0.426 19.046 8.135 1.00 0.00 H new ATOM 0 HA LEU A 8 0.116 19.838 10.859 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.980 22.057 10.249 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.039 20.831 9.581 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.093 21.626 7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.922 23.845 7.171 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.249 23.825 8.819 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.006 23.688 8.574 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.810 21.865 6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.947 21.624 7.495 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.850 20.309 7.010 1.00 0.00 H new ATOM 266 N VAL A 16 -2.940 20.834 5.938 1.00 0.00 N ATOM 267 CA VAL A 16 -2.007 20.733 4.798 1.00 0.00 C ATOM 268 C VAL A 16 -1.156 19.463 4.924 1.00 0.00 C ATOM 269 O VAL A 16 -0.715 19.104 6.020 1.00 0.00 O ATOM 270 CB VAL A 16 -1.136 22.007 4.677 1.00 0.00 C ATOM 271 CG1 VAL A 16 -0.084 21.909 3.564 1.00 0.00 C ATOM 272 CG2 VAL A 16 -1.973 23.263 4.411 1.00 0.00 C ATOM 0 HA VAL A 16 -2.584 20.658 3.876 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.638 22.086 5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.495 22.832 3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.582 21.070 3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.581 21.755 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.315 24.129 4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.524 23.142 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.676 23.412 5.231 1.00 0.00 H new ATOM 282 N GLU A 17 -0.910 18.788 3.801 1.00 0.00 N ATOM 283 CA GLU A 17 -0.084 17.577 3.685 1.00 0.00 C ATOM 284 C GLU A 17 0.902 17.703 2.516 1.00 0.00 C ATOM 285 O GLU A 17 0.520 18.144 1.426 1.00 0.00 O ATOM 286 CB GLU A 17 -0.971 16.331 3.499 1.00 0.00 C ATOM 287 CG GLU A 17 -1.832 16.003 4.727 1.00 0.00 C ATOM 288 CD GLU A 17 -2.636 14.690 4.560 1.00 0.00 C ATOM 289 OE1 GLU A 17 -2.876 13.992 5.577 1.00 0.00 O ATOM 290 OE2 GLU A 17 -3.056 14.340 3.429 1.00 0.00 O1- ATOM 0 H GLU A 17 -1.297 19.081 2.904 1.00 0.00 H new ATOM 0 HA GLU A 17 0.485 17.466 4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.623 16.484 2.639 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.337 15.474 3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.190 15.922 5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.522 16.826 4.912 1.00 0.00 H new ATOM 297 N ILE A 18 2.168 17.319 2.723 1.00 0.00 N ATOM 298 CA ILE A 18 3.281 17.498 1.759 1.00 0.00 C ATOM 299 C ILE A 18 4.146 16.225 1.706 1.00 0.00 C ATOM 300 O ILE A 18 4.667 15.789 2.734 1.00 0.00 O ATOM 301 CB ILE A 18 4.134 18.747 2.122 1.00 0.00 C ATOM 302 CG1 ILE A 18 3.312 20.064 2.154 1.00 0.00 C ATOM 303 CG2 ILE A 18 5.319 18.922 1.155 1.00 0.00 C ATOM 304 CD1 ILE A 18 3.952 21.171 3.002 1.00 0.00 C ATOM 0 H ILE A 18 2.463 16.862 3.586 1.00 0.00 H new ATOM 0 HA ILE A 18 2.861 17.667 0.767 1.00 0.00 H new ATOM 0 HB ILE A 18 4.503 18.557 3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.185 20.427 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.316 19.851 2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.893 19.804 1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.960 18.042 1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.944 19.044 0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.321 22.060 2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.054 20.828 4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.936 21.413 2.601 1.00 0.00 H new ATOM 316 N GLY A 19 4.312 15.637 0.517 1.00 0.00 N ATOM 317 CA GLY A 19 5.172 14.465 0.279 1.00 0.00 C ATOM 318 C GLY A 19 6.579 14.822 -0.228 1.00 0.00 C ATOM 319 O GLY A 19 6.851 15.962 -0.611 1.00 0.00 O ATOM 0 H GLY A 19 3.844 15.967 -0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.263 13.898 1.206 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.688 13.813 -0.448 1.00 0.00 H new ATOM 323 N ASP A 20 7.475 13.822 -0.246 1.00 0.00 N ATOM 324 CA ASP A 20 8.863 13.917 -0.749 1.00 0.00 C ATOM 325 C ASP A 20 9.690 15.051 -0.095 1.00 0.00 C ATOM 326 O ASP A 20 10.467 15.750 -0.745 1.00 0.00 O ATOM 327 CB ASP A 20 8.908 13.911 -2.292 1.00 0.00 C ATOM 328 CG ASP A 20 8.178 12.713 -2.936 1.00 0.00 C ATOM 329 OD1 ASP A 20 8.144 11.611 -2.342 1.00 0.00 O ATOM 330 OD2 ASP A 20 7.656 12.868 -4.070 1.00 0.00 O1- ATOM 0 H ASP A 20 7.249 12.890 0.101 1.00 0.00 H new ATOM 0 HA ASP A 20 9.375 13.011 -0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.464 14.835 -2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.949 13.905 -2.615 1.00 0.00 H new ATOM 335 N VAL A 21 9.496 15.240 1.212 1.00 0.00 N ATOM 336 CA VAL A 21 10.142 16.285 2.020 1.00 0.00 C ATOM 337 C VAL A 21 11.598 15.915 2.311 1.00 0.00 C ATOM 338 O VAL A 21 11.875 14.946 3.018 1.00 0.00 O ATOM 339 CB VAL A 21 9.357 16.516 3.324 1.00 0.00 C ATOM 340 CG1 VAL A 21 10.035 17.550 4.215 1.00 0.00 C ATOM 341 CG2 VAL A 21 7.943 17.014 3.003 1.00 0.00 C ATOM 0 H VAL A 21 8.865 14.653 1.758 1.00 0.00 H new ATOM 0 HA VAL A 21 10.139 17.216 1.454 1.00 0.00 H new ATOM 0 HB VAL A 21 9.321 15.563 3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.451 17.685 5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.036 17.206 4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.103 18.499 3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.394 17.175 3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.004 17.952 2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.424 16.270 2.399 1.00 0.00 H new ATOM 351 N LEU A 22 12.523 16.701 1.764 1.00 0.00 N ATOM 352 CA LEU A 22 13.970 16.509 1.843 1.00 0.00 C ATOM 353 C LEU A 22 14.582 17.101 3.135 1.00 0.00 C ATOM 354 O LEU A 22 15.592 16.596 3.624 1.00 0.00 O ATOM 355 CB LEU A 22 14.553 17.126 0.555 1.00 0.00 C ATOM 356 CG LEU A 22 16.046 16.847 0.307 1.00 0.00 C ATOM 357 CD1 LEU A 22 16.333 15.377 -0.010 1.00 0.00 C ATOM 358 CD2 LEU A 22 16.571 17.710 -0.836 1.00 0.00 C ATOM 0 H LEU A 22 12.271 17.531 1.227 1.00 0.00 H new ATOM 0 HA LEU A 22 14.221 15.450 1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.985 16.752 -0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.403 18.205 0.589 1.00 0.00 H new ATOM 0 HG LEU A 22 16.558 17.096 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 22 17.402 15.242 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 22 16.014 14.755 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 22 15.788 15.085 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 22 17.628 17.498 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.014 17.486 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.446 18.763 -0.584 1.00 0.00 H new ATOM 370 N GLU A 23 13.966 18.141 3.714 1.00 0.00 N ATOM 371 CA GLU A 23 14.371 18.753 4.992 1.00 0.00 C ATOM 372 C GLU A 23 13.232 19.567 5.651 1.00 0.00 C ATOM 373 O GLU A 23 12.431 20.193 4.951 1.00 0.00 O ATOM 374 CB GLU A 23 15.617 19.633 4.758 1.00 0.00 C ATOM 375 CG GLU A 23 16.226 20.201 6.051 1.00 0.00 C ATOM 376 CD GLU A 23 17.691 20.630 5.868 1.00 0.00 C ATOM 377 OE1 GLU A 23 18.523 19.824 5.390 1.00 0.00 O ATOM 378 OE2 GLU A 23 18.031 21.786 6.213 1.00 0.00 O1- ATOM 0 H GLU A 23 13.152 18.593 3.298 1.00 0.00 H new ATOM 0 HA GLU A 23 14.611 17.951 5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.374 19.045 4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.349 20.459 4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.638 21.057 6.381 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.166 19.450 6.839 1.00 0.00 H new ATOM 385 N VAL A 24 13.204 19.619 6.991 1.00 0.00 N ATOM 386 CA VAL A 24 12.322 20.494 7.792 1.00 0.00 C ATOM 387 C VAL A 24 13.101 21.214 8.894 1.00 0.00 C ATOM 388 O VAL A 24 14.028 20.630 9.463 1.00 0.00 O ATOM 389 CB VAL A 24 11.117 19.743 8.405 1.00 0.00 C ATOM 390 CG1 VAL A 24 10.350 18.911 7.370 1.00 0.00 C ATOM 391 CG2 VAL A 24 11.491 18.803 9.554 1.00 0.00 C ATOM 0 H VAL A 24 13.811 19.037 7.569 1.00 0.00 H new ATOM 0 HA VAL A 24 11.925 21.231 7.094 1.00 0.00 H new ATOM 0 HB VAL A 24 10.490 20.547 8.789 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.515 18.406 7.856 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.971 19.566 6.585 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.018 18.169 6.932 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.593 18.314 9.931 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.191 18.049 9.194 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.956 19.376 10.356 1.00 0.00 H new ATOM 401 N ARG A 25 12.708 22.450 9.248 1.00 0.00 N ATOM 402 CA ARG A 25 13.290 23.245 10.351 1.00 0.00 C ATOM 403 C ARG A 25 12.228 24.068 11.085 1.00 0.00 C ATOM 404 O ARG A 25 11.465 24.792 10.445 1.00 0.00 O ATOM 405 CB ARG A 25 14.380 24.208 9.831 1.00 0.00 C ATOM 406 CG ARG A 25 15.540 23.542 9.089 1.00 0.00 C ATOM 407 CD ARG A 25 16.640 24.569 8.786 1.00 0.00 C ATOM 408 NE ARG A 25 17.738 23.960 8.014 1.00 0.00 N ATOM 409 CZ ARG A 25 18.983 24.368 7.919 1.00 0.00 C ATOM 410 NH1 ARG A 25 19.437 25.424 8.536 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 19.804 23.690 7.171 1.00 0.00 N ATOM 0 H ARG A 25 11.956 22.940 8.763 1.00 0.00 H new ATOM 0 HA ARG A 25 13.729 22.528 11.045 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.913 24.934 9.165 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.783 24.765 10.677 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.947 22.730 9.691 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.180 23.100 8.160 1.00 0.00 H new ATOM 0 HD2 ARG A 25 16.218 25.404 8.227 1.00 0.00 H new ATOM 0 HD3 ARG A 25 17.030 24.975 9.720 1.00 0.00 H new ATOM 0 HE ARG A 25 17.502 23.118 7.489 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.815 25.976 9.127 1.00 0.00 H new ATOM 0 HH12 ARG A 25 20.414 25.697 8.428 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.476 22.862 6.674 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.776 23.987 7.081 1.00 0.00 H new ATOM 425 N ALA A 26 12.215 24.021 12.415 1.00 0.00 N ATOM 426 CA ALA A 26 11.581 25.030 13.263 1.00 0.00 C ATOM 427 C ALA A 26 12.532 26.231 13.473 1.00 0.00 C ATOM 428 O ALA A 26 13.754 26.067 13.526 1.00 0.00 O ATOM 429 CB ALA A 26 11.165 24.379 14.587 1.00 0.00 C ATOM 0 H ALA A 26 12.653 23.267 12.944 1.00 0.00 H new ATOM 0 HA ALA A 26 10.685 25.419 12.779 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.691 25.124 15.226 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.461 23.570 14.390 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.046 23.979 15.088 1.00 0.00 H new ATOM 464 N ALA A 30 7.839 29.584 13.955 1.00 0.00 N ATOM 465 CA ALA A 30 7.333 29.038 12.694 1.00 0.00 C ATOM 466 C ALA A 30 8.072 27.736 12.323 1.00 0.00 C ATOM 467 O ALA A 30 9.168 27.472 12.831 1.00 0.00 O ATOM 468 CB ALA A 30 7.515 30.102 11.599 1.00 0.00 C ATOM 0 HA ALA A 30 6.276 28.791 12.797 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.144 29.715 10.650 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.958 30.999 11.868 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.573 30.347 11.502 1.00 0.00 H new ATOM 474 N VAL A 31 7.504 26.960 11.395 1.00 0.00 N ATOM 475 CA VAL A 31 8.193 25.832 10.723 1.00 0.00 C ATOM 476 C VAL A 31 8.299 26.073 9.216 1.00 0.00 C ATOM 477 O VAL A 31 7.376 26.597 8.590 1.00 0.00 O ATOM 478 CB VAL A 31 7.539 24.463 11.022 1.00 0.00 C ATOM 479 CG1 VAL A 31 8.229 23.285 10.313 1.00 0.00 C ATOM 480 CG2 VAL A 31 7.573 24.153 12.517 1.00 0.00 C ATOM 0 H VAL A 31 6.543 27.091 11.079 1.00 0.00 H new ATOM 0 HA VAL A 31 9.200 25.791 11.139 1.00 0.00 H new ATOM 0 HB VAL A 31 6.518 24.558 10.651 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.718 22.357 10.568 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.190 23.436 9.234 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.269 23.226 10.634 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.107 23.185 12.698 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.607 24.128 12.860 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.029 24.925 13.061 1.00 0.00 H new ATOM 490 N ARG A 32 9.425 25.667 8.625 1.00 0.00 N ATOM 491 CA ARG A 32 9.710 25.689 7.183 1.00 0.00 C ATOM 492 C ARG A 32 10.046 24.282 6.695 1.00 0.00 C ATOM 493 O ARG A 32 10.733 23.538 7.399 1.00 0.00 O ATOM 494 CB ARG A 32 10.857 26.671 6.896 1.00 0.00 C ATOM 495 CG ARG A 32 10.464 28.121 7.227 1.00 0.00 C ATOM 496 CD ARG A 32 11.636 29.095 7.086 1.00 0.00 C ATOM 497 NE ARG A 32 12.105 29.221 5.693 1.00 0.00 N ATOM 498 CZ ARG A 32 13.138 29.926 5.277 1.00 0.00 C ATOM 499 NH1 ARG A 32 13.892 30.620 6.090 1.00 0.00 N1+ ATOM 500 NH2 ARG A 32 13.415 29.939 4.009 1.00 0.00 N ATOM 0 H ARG A 32 10.206 25.294 9.165 1.00 0.00 H new ATOM 0 HA ARG A 32 8.828 26.029 6.641 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.732 26.389 7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.140 26.602 5.846 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.655 28.434 6.567 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.080 28.166 8.246 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.335 30.076 7.454 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.461 28.758 7.714 1.00 0.00 H new ATOM 0 HE ARG A 32 11.578 28.713 4.982 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.690 30.630 7.090 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.682 31.151 5.724 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.838 29.410 3.355 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.210 30.478 3.666 1.00 0.00 H new ATOM 514 N VAL A 33 9.575 23.917 5.499 1.00 0.00 N ATOM 515 CA VAL A 33 9.758 22.578 4.911 1.00 0.00 C ATOM 516 C VAL A 33 10.111 22.672 3.424 1.00 0.00 C ATOM 517 O VAL A 33 9.554 23.496 2.698 1.00 0.00 O ATOM 518 CB VAL A 33 8.540 21.650 5.149 1.00 0.00 C ATOM 519 CG1 VAL A 33 8.083 21.660 6.617 1.00 0.00 C ATOM 520 CG2 VAL A 33 7.311 21.970 4.292 1.00 0.00 C ATOM 0 H VAL A 33 9.047 24.551 4.899 1.00 0.00 H new ATOM 0 HA VAL A 33 10.600 22.119 5.429 1.00 0.00 H new ATOM 0 HB VAL A 33 8.917 20.670 4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.227 20.996 6.736 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.899 21.319 7.254 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.799 22.673 6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.510 21.269 4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.977 22.986 4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.570 21.883 3.237 1.00 0.00 H new ATOM 530 N THR A 34 11.032 21.819 2.967 1.00 0.00 N ATOM 531 CA THR A 34 11.578 21.835 1.600 1.00 0.00 C ATOM 532 C THR A 34 11.509 20.440 0.980 1.00 0.00 C ATOM 533 O THR A 34 11.915 19.456 1.602 1.00 0.00 O ATOM 534 CB THR A 34 13.028 22.345 1.591 1.00 0.00 C ATOM 535 OG1 THR A 34 13.105 23.635 2.162 1.00 0.00 O ATOM 536 CG2 THR A 34 13.631 22.460 0.190 1.00 0.00 C ATOM 0 H THR A 34 11.430 21.080 3.547 1.00 0.00 H new ATOM 0 HA THR A 34 10.971 22.517 1.005 1.00 0.00 H new ATOM 0 HB THR A 34 13.587 21.604 2.162 1.00 0.00 H new ATOM 0 HG1 THR A 34 14.035 23.943 2.150 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.655 22.826 0.264 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.629 21.481 -0.289 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.039 23.156 -0.405 1.00 0.00 H new ATOM 544 N THR A 35 11.005 20.350 -0.252 1.00 0.00 N ATOM 545 CA THR A 35 10.977 19.114 -1.053 1.00 0.00 C ATOM 546 C THR A 35 12.155 19.054 -2.031 1.00 0.00 C ATOM 547 O THR A 35 12.748 20.082 -2.373 1.00 0.00 O ATOM 548 CB THR A 35 9.640 18.956 -1.799 1.00 0.00 C ATOM 549 OG1 THR A 35 9.553 19.885 -2.853 1.00 0.00 O ATOM 550 CG2 THR A 35 8.416 19.105 -0.895 1.00 0.00 C ATOM 0 H THR A 35 10.595 21.149 -0.736 1.00 0.00 H new ATOM 0 HA THR A 35 11.074 18.279 -0.359 1.00 0.00 H new ATOM 0 HB THR A 35 9.633 17.937 -2.187 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.696 20.790 -2.504 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.509 18.982 -1.487 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.446 18.345 -0.114 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.419 20.095 -0.438 1.00 0.00 H new ATOM 558 N LEU A 36 12.486 17.862 -2.534 1.00 0.00 N ATOM 559 CA LEU A 36 13.544 17.693 -3.546 1.00 0.00 C ATOM 560 C LEU A 36 13.210 18.270 -4.940 1.00 0.00 C ATOM 561 O LEU A 36 14.068 18.285 -5.825 1.00 0.00 O ATOM 562 CB LEU A 36 14.022 16.233 -3.603 1.00 0.00 C ATOM 563 CG LEU A 36 12.980 15.119 -3.820 1.00 0.00 C ATOM 564 CD1 LEU A 36 12.116 15.281 -5.068 1.00 0.00 C ATOM 565 CD2 LEU A 36 13.748 13.806 -3.950 1.00 0.00 C ATOM 0 H LEU A 36 12.035 16.990 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 36 14.377 18.310 -3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.758 16.158 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 36 14.544 16.020 -2.670 1.00 0.00 H new ATOM 0 HG LEU A 36 12.297 15.153 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.414 14.450 -5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.564 16.219 -5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.753 15.290 -5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.045 12.987 -4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 36 14.429 13.866 -4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.318 13.626 -3.039 1.00 0.00 H new ATOM 577 N PHE A 37 11.995 18.790 -5.139 1.00 0.00 N ATOM 578 CA PHE A 37 11.581 19.537 -6.337 1.00 0.00 C ATOM 579 C PHE A 37 12.026 21.020 -6.327 1.00 0.00 C ATOM 580 O PHE A 37 11.621 21.792 -7.198 1.00 0.00 O ATOM 581 CB PHE A 37 10.058 19.406 -6.499 1.00 0.00 C ATOM 582 CG PHE A 37 9.532 17.981 -6.497 1.00 0.00 C ATOM 583 CD1 PHE A 37 9.915 17.089 -7.515 1.00 0.00 C ATOM 584 CD2 PHE A 37 8.678 17.542 -5.467 1.00 0.00 C ATOM 585 CE1 PHE A 37 9.435 15.769 -7.512 1.00 0.00 C ATOM 586 CE2 PHE A 37 8.199 16.219 -5.466 1.00 0.00 C ATOM 587 CZ PHE A 37 8.575 15.329 -6.491 1.00 0.00 C ATOM 0 H PHE A 37 11.247 18.701 -4.451 1.00 0.00 H new ATOM 0 HA PHE A 37 12.088 19.099 -7.197 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.573 19.957 -5.693 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.765 19.884 -7.434 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.579 17.420 -8.300 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.391 18.221 -4.678 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.728 15.089 -8.298 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.541 15.885 -4.677 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.205 14.314 -6.492 1.00 0.00 H new ATOM 597 N ASP A 38 12.823 21.431 -5.330 1.00 0.00 N ATOM 598 CA ASP A 38 13.183 22.823 -4.997 1.00 0.00 C ATOM 599 C ASP A 38 11.987 23.713 -4.582 1.00 0.00 C ATOM 600 O ASP A 38 12.131 24.928 -4.428 1.00 0.00 O ATOM 601 CB ASP A 38 14.065 23.468 -6.087 1.00 0.00 C ATOM 602 CG ASP A 38 15.301 22.646 -6.481 1.00 0.00 C ATOM 603 OD1 ASP A 38 15.709 22.706 -7.669 1.00 0.00 O ATOM 604 OD2 ASP A 38 15.922 21.981 -5.612 1.00 0.00 O1- ATOM 0 H ASP A 38 13.261 20.764 -4.695 1.00 0.00 H new ATOM 0 HA ASP A 38 13.789 22.755 -4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.457 23.634 -6.976 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.393 24.447 -5.738 1.00 0.00 H new ATOM 609 N GLU A 39 10.808 23.124 -4.354 1.00 0.00 N ATOM 610 CA GLU A 39 9.645 23.796 -3.761 1.00 0.00 C ATOM 611 C GLU A 39 9.786 23.851 -2.229 1.00 0.00 C ATOM 612 O GLU A 39 10.102 22.845 -1.580 1.00 0.00 O ATOM 613 CB GLU A 39 8.350 23.090 -4.207 1.00 0.00 C ATOM 614 CG GLU A 39 7.036 23.702 -3.683 1.00 0.00 C ATOM 615 CD GLU A 39 6.581 24.978 -4.425 1.00 0.00 C ATOM 616 OE1 GLU A 39 7.424 25.767 -4.925 1.00 0.00 O ATOM 617 OE2 GLU A 39 5.349 25.205 -4.513 1.00 0.00 O1- ATOM 0 H GLU A 39 10.631 22.145 -4.581 1.00 0.00 H new ATOM 0 HA GLU A 39 9.594 24.826 -4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.318 23.086 -5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.397 22.049 -3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.247 22.954 -3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.156 23.936 -2.625 1.00 0.00 H new ATOM 624 N GLU A 40 9.532 25.021 -1.641 1.00 0.00 N ATOM 625 CA GLU A 40 9.651 25.298 -0.205 1.00 0.00 C ATOM 626 C GLU A 40 8.393 26.016 0.322 1.00 0.00 C ATOM 627 O GLU A 40 7.773 26.815 -0.393 1.00 0.00 O ATOM 628 CB GLU A 40 10.962 26.080 0.039 1.00 0.00 C ATOM 629 CG GLU A 40 11.282 26.424 1.507 1.00 0.00 C ATOM 630 CD GLU A 40 10.862 27.836 1.973 1.00 0.00 C ATOM 631 OE1 GLU A 40 10.020 28.504 1.324 1.00 0.00 O ATOM 632 OE2 GLU A 40 11.404 28.294 3.011 1.00 0.00 O1- ATOM 0 H GLU A 40 9.225 25.836 -2.172 1.00 0.00 H new ATOM 0 HA GLU A 40 9.709 24.370 0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.790 25.497 -0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.919 27.009 -0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.793 25.690 2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.356 26.316 1.660 1.00 0.00 H new ATOM 639 N HIS A 41 8.017 25.720 1.569 1.00 0.00 N ATOM 640 CA HIS A 41 6.843 26.269 2.264 1.00 0.00 C ATOM 641 C HIS A 41 7.199 26.735 3.681 1.00 0.00 C ATOM 642 O HIS A 41 8.143 26.226 4.296 1.00 0.00 O ATOM 643 CB HIS A 41 5.714 25.227 2.308 1.00 0.00 C ATOM 644 CG HIS A 41 5.324 24.653 0.966 1.00 0.00 C ATOM 645 ND1 HIS A 41 4.513 25.282 0.015 1.00 0.00 N ATOM 646 CD2 HIS A 41 5.684 23.425 0.493 1.00 0.00 C ATOM 647 CE1 HIS A 41 4.410 24.415 -1.009 1.00 0.00 C ATOM 648 NE2 HIS A 41 5.098 23.292 -0.745 1.00 0.00 N ATOM 0 H HIS A 41 8.542 25.065 2.148 1.00 0.00 H new ATOM 0 HA HIS A 41 6.499 27.139 1.705 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.019 24.410 2.961 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.834 25.685 2.760 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.308 22.699 0.993 1.00 0.00 H new ATOM 0 HE1 HIS A 41 3.852 24.597 -1.916 1.00 0.00 H new ATOM 0 HE2 HIS A 41 5.173 22.480 -1.357 1.00 0.00 H new ATOM 656 N ALA A 42 6.413 27.677 4.211 1.00 0.00 N ATOM 657 CA ALA A 42 6.583 28.250 5.548 1.00 0.00 C ATOM 658 C ALA A 42 5.223 28.422 6.250 1.00 0.00 C ATOM 659 O ALA A 42 4.253 28.885 5.639 1.00 0.00 O ATOM 660 CB ALA A 42 7.334 29.582 5.423 1.00 0.00 C ATOM 0 H ALA A 42 5.619 28.072 3.707 1.00 0.00 H new ATOM 0 HA ALA A 42 7.170 27.572 6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.467 30.019 6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.310 29.408 4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.760 30.266 4.798 1.00 0.00 H new ATOM 666 N PHE A 43 5.161 28.078 7.539 1.00 0.00 N ATOM 667 CA PHE A 43 3.933 28.026 8.338 1.00 0.00 C ATOM 668 C PHE A 43 4.162 28.630 9.742 1.00 0.00 C ATOM 669 O PHE A 43 4.694 27.955 10.632 1.00 0.00 O ATOM 670 CB PHE A 43 3.434 26.579 8.397 1.00 0.00 C ATOM 671 CG PHE A 43 3.184 25.932 7.047 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.077 24.954 6.563 1.00 0.00 C ATOM 673 CD2 PHE A 43 2.065 26.303 6.275 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.847 24.336 5.321 1.00 0.00 C ATOM 675 CE2 PHE A 43 1.840 25.691 5.028 1.00 0.00 C ATOM 676 CZ PHE A 43 2.732 24.713 4.550 1.00 0.00 C ATOM 0 H PHE A 43 5.991 27.820 8.073 1.00 0.00 H new ATOM 0 HA PHE A 43 3.160 28.633 7.867 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.165 25.980 8.940 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.509 26.553 8.973 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.941 24.678 7.149 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.381 27.055 6.640 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.523 23.575 4.960 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.981 25.972 4.437 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.560 24.251 3.589 1.00 0.00 H new ATOM 686 N PRO A 44 3.787 29.910 9.955 1.00 0.00 N ATOM 687 CA PRO A 44 3.862 30.565 11.261 1.00 0.00 C ATOM 688 C PRO A 44 2.965 29.932 12.333 1.00 0.00 C ATOM 689 O PRO A 44 1.890 29.405 12.037 1.00 0.00 O ATOM 690 CB PRO A 44 3.489 32.034 11.020 1.00 0.00 C ATOM 691 CG PRO A 44 3.808 32.243 9.539 1.00 0.00 C ATOM 692 CD PRO A 44 3.444 30.887 8.932 1.00 0.00 C ATOM 0 HA PRO A 44 4.869 30.454 11.663 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.437 32.222 11.235 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.068 32.705 11.654 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.220 33.053 9.107 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.857 32.491 9.380 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.384 30.839 8.680 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.999 30.705 8.011 1.00 0.00 H new ATOM 700 N GLY A 45 3.400 30.026 13.591 1.00 0.00 N ATOM 701 CA GLY A 45 2.658 29.574 14.780 1.00 0.00 C ATOM 702 C GLY A 45 2.842 28.089 15.123 1.00 0.00 C ATOM 703 O GLY A 45 2.153 27.578 16.005 1.00 0.00 O ATOM 0 H GLY A 45 4.307 30.431 13.823 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.970 30.172 15.636 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.597 29.769 14.625 1.00 0.00 H new ATOM 707 N LEU A 46 3.755 27.389 14.445 1.00 0.00 N ATOM 708 CA LEU A 46 4.006 25.956 14.602 1.00 0.00 C ATOM 709 C LEU A 46 5.434 25.657 15.093 1.00 0.00 C ATOM 710 O LEU A 46 6.346 26.476 14.968 1.00 0.00 O ATOM 711 CB LEU A 46 3.722 25.232 13.266 1.00 0.00 C ATOM 712 CG LEU A 46 2.259 25.290 12.773 1.00 0.00 C ATOM 713 CD1 LEU A 46 2.145 24.623 11.404 1.00 0.00 C ATOM 714 CD2 LEU A 46 1.297 24.552 13.707 1.00 0.00 C ATOM 0 H LEU A 46 4.361 27.821 13.747 1.00 0.00 H new ATOM 0 HA LEU A 46 3.331 25.582 15.372 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.363 25.663 12.497 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.010 24.186 13.372 1.00 0.00 H new ATOM 0 HG LEU A 46 1.990 26.346 12.737 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.111 24.668 11.063 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.785 25.143 10.691 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.458 23.582 11.480 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.283 24.623 13.315 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.587 23.504 13.774 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.335 25.003 14.699 1.00 0.00 H new ATOM 726 N ALA A 47 5.598 24.440 15.604 1.00 0.00 N ATOM 727 CA ALA A 47 6.855 23.762 15.913 1.00 0.00 C ATOM 728 C ALA A 47 6.731 22.257 15.566 1.00 0.00 C ATOM 729 O ALA A 47 5.618 21.730 15.465 1.00 0.00 O ATOM 730 CB ALA A 47 7.196 24.003 17.390 1.00 0.00 C ATOM 0 H ALA A 47 4.793 23.856 15.831 1.00 0.00 H new ATOM 0 HA ALA A 47 7.673 24.161 15.313 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.133 23.502 17.634 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.300 25.073 17.570 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.398 23.605 18.017 1.00 0.00 H new ATOM 736 N ILE A 48 7.848 21.551 15.370 1.00 0.00 N ATOM 737 CA ILE A 48 7.839 20.101 15.080 1.00 0.00 C ATOM 738 C ILE A 48 7.448 19.335 16.363 1.00 0.00 C ATOM 739 O ILE A 48 8.079 19.504 17.405 1.00 0.00 O ATOM 740 CB ILE A 48 9.199 19.625 14.513 1.00 0.00 C ATOM 741 CG1 ILE A 48 9.573 20.338 13.189 1.00 0.00 C ATOM 742 CG2 ILE A 48 9.166 18.105 14.260 1.00 0.00 C ATOM 743 CD1 ILE A 48 11.088 20.453 13.007 1.00 0.00 C ATOM 0 H ILE A 48 8.782 21.959 15.406 1.00 0.00 H new ATOM 0 HA ILE A 48 7.100 19.893 14.306 1.00 0.00 H new ATOM 0 HB ILE A 48 9.953 19.875 15.260 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.148 19.789 12.349 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.130 21.334 13.176 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.128 17.782 13.861 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.968 17.584 15.197 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.379 17.873 13.542 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.304 20.959 12.066 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.511 21.025 13.832 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.529 19.456 12.993 1.00 0.00 H new ATOM 755 N GLY A 49 6.394 18.513 16.291 1.00 0.00 N ATOM 756 CA GLY A 49 5.809 17.799 17.431 1.00 0.00 C ATOM 757 C GLY A 49 6.163 16.310 17.496 1.00 0.00 C ATOM 758 O GLY A 49 6.416 15.787 18.583 1.00 0.00 O ATOM 0 H GLY A 49 5.911 18.321 15.413 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.139 18.279 18.352 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.725 17.900 17.390 1.00 0.00 H new ATOM 762 N ARG A 50 6.192 15.613 16.355 1.00 0.00 N ATOM 763 CA ARG A 50 6.395 14.152 16.284 1.00 0.00 C ATOM 764 C ARG A 50 7.052 13.734 14.970 1.00 0.00 C ATOM 765 O ARG A 50 6.765 14.301 13.916 1.00 0.00 O ATOM 766 CB ARG A 50 5.028 13.474 16.514 1.00 0.00 C ATOM 767 CG ARG A 50 5.023 11.943 16.412 1.00 0.00 C ATOM 768 CD ARG A 50 3.627 11.423 16.772 1.00 0.00 C ATOM 769 NE ARG A 50 3.568 9.952 16.763 1.00 0.00 N ATOM 770 CZ ARG A 50 2.539 9.179 16.477 1.00 0.00 C ATOM 771 NH1 ARG A 50 1.375 9.644 16.103 1.00 0.00 N1+ ATOM 772 NH2 ARG A 50 2.689 7.896 16.570 1.00 0.00 N ATOM 0 H ARG A 50 6.074 16.048 15.440 1.00 0.00 H new ATOM 0 HA ARG A 50 7.089 13.829 17.060 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.664 13.756 17.502 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.319 13.871 15.788 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.292 11.632 15.402 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.768 11.518 17.085 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.346 11.791 17.759 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.899 11.820 16.065 1.00 0.00 H new ATOM 0 HE ARG A 50 4.433 9.470 17.009 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.230 10.650 16.021 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.612 9.000 15.894 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.587 7.507 16.859 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.909 7.274 16.355 1.00 0.00 H new ATOM 786 N VAL A 51 7.904 12.713 15.042 1.00 0.00 N ATOM 787 CA VAL A 51 8.583 12.078 13.901 1.00 0.00 C ATOM 788 C VAL A 51 8.527 10.559 14.060 1.00 0.00 C ATOM 789 O VAL A 51 8.974 10.040 15.082 1.00 0.00 O ATOM 790 CB VAL A 51 10.044 12.560 13.761 1.00 0.00 C ATOM 791 CG1 VAL A 51 10.689 12.000 12.486 1.00 0.00 C ATOM 792 CG2 VAL A 51 10.169 14.086 13.718 1.00 0.00 C ATOM 0 H VAL A 51 8.154 12.283 15.933 1.00 0.00 H new ATOM 0 HA VAL A 51 8.064 12.368 12.987 1.00 0.00 H new ATOM 0 HB VAL A 51 10.557 12.191 14.649 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.717 12.355 12.412 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.683 10.911 12.523 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.126 12.336 11.615 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.219 14.362 13.619 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.610 14.473 12.866 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.768 14.510 14.638 1.00 0.00 H new ATOM 802 N ASP A 52 7.980 9.833 13.082 1.00 0.00 N ATOM 803 CA ASP A 52 7.747 8.384 13.156 1.00 0.00 C ATOM 804 C ASP A 52 8.270 7.674 11.895 1.00 0.00 C ATOM 805 O ASP A 52 7.642 7.685 10.832 1.00 0.00 O ATOM 806 CB ASP A 52 6.258 8.124 13.426 1.00 0.00 C ATOM 807 CG ASP A 52 5.932 6.655 13.739 1.00 0.00 C ATOM 808 OD1 ASP A 52 4.773 6.361 14.119 1.00 0.00 O ATOM 809 OD2 ASP A 52 6.822 5.778 13.643 1.00 0.00 O1- ATOM 0 H ASP A 52 7.680 10.242 12.197 1.00 0.00 H new ATOM 0 HA ASP A 52 8.311 7.959 13.986 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.936 8.744 14.263 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.680 8.437 12.556 1.00 0.00 H new ATOM 814 N LEU A 53 9.455 7.068 12.021 1.00 0.00 N ATOM 815 CA LEU A 53 10.231 6.488 10.919 1.00 0.00 C ATOM 816 C LEU A 53 9.664 5.147 10.420 1.00 0.00 C ATOM 817 O LEU A 53 10.055 4.670 9.350 1.00 0.00 O ATOM 818 CB LEU A 53 11.714 6.344 11.339 1.00 0.00 C ATOM 819 CG LEU A 53 12.485 7.624 11.726 1.00 0.00 C ATOM 820 CD1 LEU A 53 12.280 8.778 10.741 1.00 0.00 C ATOM 821 CD2 LEU A 53 12.194 8.138 13.141 1.00 0.00 C ATOM 0 H LEU A 53 9.917 6.964 12.925 1.00 0.00 H new ATOM 0 HA LEU A 53 10.158 7.175 10.076 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.756 5.660 12.186 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.249 5.867 10.518 1.00 0.00 H new ATOM 0 HG LEU A 53 13.524 7.296 11.690 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.850 9.646 11.073 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.622 8.477 9.751 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.222 9.035 10.696 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.778 9.039 13.328 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.132 8.367 13.234 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.465 7.373 13.869 1.00 0.00 H new ATOM 833 N ARG A 54 8.710 4.550 11.147 1.00 0.00 N ATOM 834 CA ARG A 54 7.976 3.339 10.741 1.00 0.00 C ATOM 835 C ARG A 54 7.109 3.577 9.497 1.00 0.00 C ATOM 836 O ARG A 54 6.853 2.635 8.744 1.00 0.00 O ATOM 837 CB ARG A 54 7.115 2.840 11.910 1.00 0.00 C ATOM 838 CG ARG A 54 7.948 2.490 13.161 1.00 0.00 C ATOM 839 CD ARG A 54 7.063 2.105 14.352 1.00 0.00 C ATOM 840 NE ARG A 54 6.196 3.223 14.775 1.00 0.00 N ATOM 841 CZ ARG A 54 5.226 3.180 15.668 1.00 0.00 C ATOM 842 NH1 ARG A 54 4.977 2.118 16.383 1.00 0.00 N1+ ATOM 843 NH2 ARG A 54 4.466 4.218 15.844 1.00 0.00 N ATOM 0 H ARG A 54 8.418 4.904 12.058 1.00 0.00 H new ATOM 0 HA ARG A 54 8.709 2.577 10.476 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.384 3.606 12.169 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.556 1.959 11.593 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.622 1.665 12.929 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.570 3.343 13.432 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.446 1.248 14.084 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.692 1.796 15.187 1.00 0.00 H new ATOM 0 HE ARG A 54 6.365 4.125 14.329 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.543 1.278 16.262 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.217 2.128 17.063 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.620 5.062 15.293 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.715 4.189 16.533 1.00 0.00 H new ATOM 857 N SER A 55 6.696 4.826 9.268 1.00 0.00 N ATOM 858 CA SER A 55 5.877 5.275 8.125 1.00 0.00 C ATOM 859 C SER A 55 6.416 6.551 7.447 1.00 0.00 C ATOM 860 O SER A 55 5.799 7.057 6.506 1.00 0.00 O ATOM 861 CB SER A 55 4.417 5.477 8.559 1.00 0.00 C ATOM 862 OG SER A 55 3.859 4.302 9.135 1.00 0.00 O ATOM 0 H SER A 55 6.931 5.592 9.900 1.00 0.00 H new ATOM 0 HA SER A 55 5.933 4.483 7.378 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.364 6.293 9.280 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.821 5.774 7.696 1.00 0.00 H new ATOM 0 HG SER A 55 2.931 4.476 9.398 1.00 0.00 H new ATOM 868 N GLY A 56 7.545 7.097 7.916 1.00 0.00 N ATOM 869 CA GLY A 56 8.156 8.335 7.414 1.00 0.00 C ATOM 870 C GLY A 56 7.368 9.618 7.720 1.00 0.00 C ATOM 871 O GLY A 56 7.480 10.592 6.980 1.00 0.00 O ATOM 0 H GLY A 56 8.075 6.676 8.679 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.154 8.429 7.841 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.278 8.250 6.334 1.00 0.00 H new ATOM 875 N VAL A 57 6.526 9.627 8.762 1.00 0.00 N ATOM 876 CA VAL A 57 5.633 10.756 9.080 1.00 0.00 C ATOM 877 C VAL A 57 6.331 11.807 9.943 1.00 0.00 C ATOM 878 O VAL A 57 6.977 11.477 10.939 1.00 0.00 O ATOM 879 CB VAL A 57 4.340 10.260 9.753 1.00 0.00 C ATOM 880 CG1 VAL A 57 3.448 11.412 10.245 1.00 0.00 C ATOM 881 CG2 VAL A 57 3.506 9.431 8.764 1.00 0.00 C ATOM 0 H VAL A 57 6.443 8.847 9.414 1.00 0.00 H new ATOM 0 HA VAL A 57 5.366 11.236 8.138 1.00 0.00 H new ATOM 0 HB VAL A 57 4.658 9.663 10.608 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.551 11.004 10.711 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.995 12.010 10.974 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.165 12.039 9.400 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.595 9.088 9.255 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.245 10.047 7.903 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.086 8.570 8.432 1.00 0.00 H new ATOM 891 N ILE A 58 6.156 13.078 9.588 1.00 0.00 N ATOM 892 CA ILE A 58 6.490 14.273 10.376 1.00 0.00 C ATOM 893 C ILE A 58 5.189 15.034 10.672 1.00 0.00 C ATOM 894 O ILE A 58 4.403 15.296 9.761 1.00 0.00 O ATOM 895 CB ILE A 58 7.537 15.129 9.626 1.00 0.00 C ATOM 896 CG1 ILE A 58 8.895 14.387 9.597 1.00 0.00 C ATOM 897 CG2 ILE A 58 7.694 16.533 10.244 1.00 0.00 C ATOM 898 CD1 ILE A 58 9.963 15.039 8.712 1.00 0.00 C ATOM 0 H ILE A 58 5.751 13.322 8.684 1.00 0.00 H new ATOM 0 HA ILE A 58 6.946 14.002 11.328 1.00 0.00 H new ATOM 0 HB ILE A 58 7.181 15.273 8.606 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.278 14.319 10.615 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.729 13.367 9.251 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.440 17.096 9.683 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.739 17.057 10.205 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.014 16.440 11.282 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.879 14.450 8.754 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.606 15.082 7.683 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.164 16.049 9.069 1.00 0.00 H new ATOM 910 N SER A 59 4.966 15.409 11.932 1.00 0.00 N ATOM 911 CA SER A 59 3.743 16.087 12.392 1.00 0.00 C ATOM 912 C SER A 59 4.078 17.352 13.188 1.00 0.00 C ATOM 913 O SER A 59 4.897 17.321 14.116 1.00 0.00 O ATOM 914 CB SER A 59 2.890 15.119 13.215 1.00 0.00 C ATOM 915 OG SER A 59 1.670 15.714 13.621 1.00 0.00 O ATOM 0 H SER A 59 5.641 15.249 12.680 1.00 0.00 H new ATOM 0 HA SER A 59 3.167 16.400 11.521 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.681 14.226 12.626 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.449 14.798 14.094 1.00 0.00 H new ATOM 0 HG SER A 59 1.149 15.069 14.143 1.00 0.00 H new ATOM 921 N LEU A 60 3.460 18.471 12.816 1.00 0.00 N ATOM 922 CA LEU A 60 3.645 19.780 13.455 1.00 0.00 C ATOM 923 C LEU A 60 2.537 20.042 14.496 1.00 0.00 C ATOM 924 O LEU A 60 1.400 19.582 14.349 1.00 0.00 O ATOM 925 CB LEU A 60 3.671 20.894 12.393 1.00 0.00 C ATOM 926 CG LEU A 60 4.942 21.000 11.524 1.00 0.00 C ATOM 927 CD1 LEU A 60 5.249 19.759 10.679 1.00 0.00 C ATOM 928 CD2 LEU A 60 4.776 22.179 10.563 1.00 0.00 C ATOM 0 H LEU A 60 2.798 18.497 12.041 1.00 0.00 H new ATOM 0 HA LEU A 60 4.602 19.778 13.976 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.818 20.751 11.730 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.525 21.848 12.899 1.00 0.00 H new ATOM 0 HG LEU A 60 5.770 21.122 12.222 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.159 19.927 10.103 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.387 18.898 11.333 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.419 19.568 9.999 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.666 22.269 9.940 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.905 22.012 9.929 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.638 23.097 11.134 1.00 0.00 H new ATOM 940 N ILE A 61 2.868 20.831 15.521 1.00 0.00 N ATOM 941 CA ILE A 61 1.976 21.270 16.609 1.00 0.00 C ATOM 942 C ILE A 61 2.088 22.784 16.822 1.00 0.00 C ATOM 943 O ILE A 61 3.072 23.402 16.418 1.00 0.00 O ATOM 944 CB ILE A 61 2.225 20.462 17.906 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.677 20.481 18.446 1.00 0.00 C ATOM 946 CG2 ILE A 61 1.791 19.000 17.700 1.00 0.00 C ATOM 947 CD1 ILE A 61 4.048 21.727 19.256 1.00 0.00 C ATOM 0 H ILE A 61 3.812 21.202 15.624 1.00 0.00 H new ATOM 0 HA ILE A 61 0.946 21.064 16.316 1.00 0.00 H new ATOM 0 HB ILE A 61 1.625 20.967 18.663 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.828 19.601 19.071 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.364 20.395 17.604 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.968 18.435 18.615 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.730 18.967 17.453 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.367 18.561 16.886 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.082 21.649 19.591 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.935 22.614 18.632 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.391 21.807 20.122 1.00 0.00 H new ATOM 959 N GLU A 62 1.081 23.405 17.439 1.00 0.00 N ATOM 960 CA GLU A 62 1.105 24.848 17.743 1.00 0.00 C ATOM 961 C GLU A 62 2.166 25.185 18.801 1.00 0.00 C ATOM 962 O GLU A 62 2.275 24.517 19.832 1.00 0.00 O ATOM 963 CB GLU A 62 -0.287 25.345 18.160 1.00 0.00 C ATOM 964 CG GLU A 62 -1.285 25.289 16.992 1.00 0.00 C ATOM 965 CD GLU A 62 -2.632 25.949 17.361 1.00 0.00 C ATOM 966 OE1 GLU A 62 -3.224 25.605 18.415 1.00 0.00 O ATOM 967 OE2 GLU A 62 -3.124 26.801 16.582 1.00 0.00 O1- ATOM 0 H GLU A 62 0.230 22.932 17.742 1.00 0.00 H new ATOM 0 HA GLU A 62 1.385 25.375 16.831 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.658 24.737 18.985 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.213 26.369 18.527 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.859 25.792 16.124 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.454 24.251 16.707 1.00 0.00 H new ATOM 974 N GLU A 63 2.965 26.232 18.555 1.00 0.00 N ATOM 975 CA GLU A 63 4.169 26.555 19.348 1.00 0.00 C ATOM 976 C GLU A 63 3.888 27.163 20.742 1.00 0.00 C ATOM 977 O GLU A 63 4.773 27.173 21.600 1.00 0.00 O ATOM 978 CB GLU A 63 5.132 27.417 18.504 1.00 0.00 C ATOM 979 CG GLU A 63 4.637 28.827 18.147 1.00 0.00 C ATOM 980 CD GLU A 63 4.931 29.903 19.213 1.00 0.00 C ATOM 981 OE1 GLU A 63 4.045 30.757 19.464 1.00 0.00 O ATOM 982 OE2 GLU A 63 6.048 29.944 19.780 1.00 0.00 O1- ATOM 0 H GLU A 63 2.796 26.888 17.793 1.00 0.00 H new ATOM 0 HA GLU A 63 4.651 25.606 19.584 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.073 27.510 19.045 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.348 26.884 17.578 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.097 29.131 17.207 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.561 28.787 17.978 1.00 0.00 H new ATOM 1115 N MET B 3 16.152 3.588 9.554 1.00 0.00 N ATOM 1116 CA MET B 3 15.866 4.328 10.793 1.00 0.00 C ATOM 1117 C MET B 3 16.770 5.563 10.952 1.00 0.00 C ATOM 1118 O MET B 3 17.918 5.588 10.493 1.00 0.00 O ATOM 1119 CB MET B 3 15.994 3.402 12.015 1.00 0.00 C ATOM 1120 CG MET B 3 14.707 2.602 12.259 1.00 0.00 C ATOM 1121 SD MET B 3 14.259 1.367 11.006 1.00 0.00 S ATOM 1122 CE MET B 3 15.472 0.085 11.411 1.00 0.00 C ATOM 0 HA MET B 3 14.839 4.687 10.727 1.00 0.00 H new ATOM 0 HB2 MET B 3 16.827 2.715 11.865 1.00 0.00 H new ATOM 0 HB3 MET B 3 16.226 3.996 12.899 1.00 0.00 H new ATOM 0 HG2 MET B 3 14.800 2.094 13.219 1.00 0.00 H new ATOM 0 HG3 MET B 3 13.881 3.307 12.351 1.00 0.00 H new ATOM 0 HE1 MET B 3 15.887 -0.327 10.491 1.00 0.00 H new ATOM 0 HE2 MET B 3 16.274 0.518 12.009 1.00 0.00 H new ATOM 0 HE3 MET B 3 14.986 -0.710 11.977 1.00 0.00 H new ATOM 1132 N ALA B 4 16.249 6.591 11.623 1.00 0.00 N ATOM 1133 CA ALA B 4 16.954 7.837 11.919 1.00 0.00 C ATOM 1134 C ALA B 4 17.979 7.689 13.067 1.00 0.00 C ATOM 1135 O ALA B 4 18.007 6.690 13.792 1.00 0.00 O ATOM 1136 CB ALA B 4 15.903 8.909 12.249 1.00 0.00 C ATOM 0 H ALA B 4 15.296 6.578 11.986 1.00 0.00 H new ATOM 0 HA ALA B 4 17.537 8.127 11.045 1.00 0.00 H new ATOM 0 HB1 ALA B 4 16.403 9.851 12.474 1.00 0.00 H new ATOM 0 HB2 ALA B 4 15.241 9.045 11.394 1.00 0.00 H new ATOM 0 HB3 ALA B 4 15.319 8.592 13.113 1.00 0.00 H new ATOM 1142 N LYS B 5 18.775 8.749 13.270 1.00 0.00 N ATOM 1143 CA LYS B 5 19.517 9.006 14.512 1.00 0.00 C ATOM 1144 C LYS B 5 19.155 10.369 15.106 1.00 0.00 C ATOM 1145 O LYS B 5 18.960 11.341 14.374 1.00 0.00 O ATOM 1146 CB LYS B 5 21.031 8.793 14.329 1.00 0.00 C ATOM 1147 CG LYS B 5 21.762 9.870 13.507 1.00 0.00 C ATOM 1148 CD LYS B 5 23.247 9.492 13.402 1.00 0.00 C ATOM 1149 CE LYS B 5 24.095 10.520 12.638 1.00 0.00 C ATOM 1150 NZ LYS B 5 24.313 11.760 13.416 1.00 0.00 N1+ ATOM 0 H LYS B 5 18.924 9.466 12.560 1.00 0.00 H new ATOM 0 HA LYS B 5 19.207 8.266 15.250 1.00 0.00 H new ATOM 0 HB2 LYS B 5 21.493 8.738 15.315 1.00 0.00 H new ATOM 0 HB3 LYS B 5 21.188 7.827 13.849 1.00 0.00 H new ATOM 0 HG2 LYS B 5 21.322 9.949 12.513 1.00 0.00 H new ATOM 0 HG3 LYS B 5 21.654 10.845 13.982 1.00 0.00 H new ATOM 0 HD2 LYS B 5 23.654 9.373 14.406 1.00 0.00 H new ATOM 0 HD3 LYS B 5 23.332 8.525 12.907 1.00 0.00 H new ATOM 0 HE2 LYS B 5 25.059 10.077 12.387 1.00 0.00 H new ATOM 0 HE3 LYS B 5 23.603 10.766 11.697 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 24.802 12.461 12.823 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 23.396 12.144 13.721 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 24.895 11.548 14.252 1.00 0.00 H new ATOM 1164 N VAL B 6 19.062 10.439 16.431 1.00 0.00 N ATOM 1165 CA VAL B 6 18.780 11.657 17.205 1.00 0.00 C ATOM 1166 C VAL B 6 20.084 12.253 17.749 1.00 0.00 C ATOM 1167 O VAL B 6 20.962 11.513 18.188 1.00 0.00 O ATOM 1168 CB VAL B 6 17.776 11.343 18.337 1.00 0.00 C ATOM 1169 CG1 VAL B 6 17.710 12.410 19.437 1.00 0.00 C ATOM 1170 CG2 VAL B 6 16.365 11.168 17.772 1.00 0.00 C ATOM 0 H VAL B 6 19.185 9.619 17.024 1.00 0.00 H new ATOM 0 HA VAL B 6 18.325 12.403 16.554 1.00 0.00 H new ATOM 0 HB VAL B 6 18.146 10.423 18.788 1.00 0.00 H new ATOM 0 HG11 VAL B 6 16.982 12.111 20.191 1.00 0.00 H new ATOM 0 HG12 VAL B 6 18.691 12.515 19.901 1.00 0.00 H new ATOM 0 HG13 VAL B 6 17.411 13.363 19.002 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.673 10.947 18.584 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.057 12.086 17.272 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.359 10.345 17.057 1.00 0.00 H new ATOM 1180 N VAL B 7 20.195 13.586 17.764 1.00 0.00 N ATOM 1181 CA VAL B 7 21.256 14.336 18.454 1.00 0.00 C ATOM 1182 C VAL B 7 20.668 15.410 19.378 1.00 0.00 C ATOM 1183 O VAL B 7 19.686 16.075 19.030 1.00 0.00 O ATOM 1184 CB VAL B 7 22.293 14.901 17.454 1.00 0.00 C ATOM 1185 CG1 VAL B 7 21.707 15.892 16.447 1.00 0.00 C ATOM 1186 CG2 VAL B 7 23.468 15.594 18.157 1.00 0.00 C ATOM 0 H VAL B 7 19.531 14.192 17.283 1.00 0.00 H new ATOM 0 HA VAL B 7 21.799 13.642 19.095 1.00 0.00 H new ATOM 0 HB VAL B 7 22.639 14.018 16.917 1.00 0.00 H new ATOM 0 HG11 VAL B 7 22.495 16.243 15.781 1.00 0.00 H new ATOM 0 HG12 VAL B 7 20.930 15.400 15.862 1.00 0.00 H new ATOM 0 HG13 VAL B 7 21.277 16.741 16.979 1.00 0.00 H new ATOM 0 HG21 VAL B 7 24.167 15.972 17.411 1.00 0.00 H new ATOM 0 HG22 VAL B 7 23.095 16.423 18.758 1.00 0.00 H new ATOM 0 HG23 VAL B 7 23.979 14.879 18.802 1.00 0.00 H new ATOM 1196 N LEU B 8 21.253 15.570 20.572 1.00 0.00 N ATOM 1197 CA LEU B 8 20.784 16.486 21.627 1.00 0.00 C ATOM 1198 C LEU B 8 21.926 17.019 22.507 1.00 0.00 C ATOM 1199 O LEU B 8 22.995 16.412 22.590 1.00 0.00 O ATOM 1200 CB LEU B 8 19.712 15.784 22.483 1.00 0.00 C ATOM 1201 CG LEU B 8 20.192 14.557 23.289 1.00 0.00 C ATOM 1202 CD1 LEU B 8 20.534 14.919 24.734 1.00 0.00 C ATOM 1203 CD2 LEU B 8 19.098 13.489 23.315 1.00 0.00 C ATOM 0 H LEU B 8 22.090 15.052 20.841 1.00 0.00 H new ATOM 0 HA LEU B 8 20.348 17.356 21.136 1.00 0.00 H new ATOM 0 HB2 LEU B 8 19.296 16.512 23.179 1.00 0.00 H new ATOM 0 HB3 LEU B 8 18.900 15.469 21.828 1.00 0.00 H new ATOM 0 HG LEU B 8 21.090 14.185 22.796 1.00 0.00 H new ATOM 0 HD11 LEU B 8 20.867 14.026 25.264 1.00 0.00 H new ATOM 0 HD12 LEU B 8 21.329 15.665 24.744 1.00 0.00 H new ATOM 0 HD13 LEU B 8 19.650 15.325 25.226 1.00 0.00 H new ATOM 0 HD21 LEU B 8 19.444 12.627 23.885 1.00 0.00 H new ATOM 0 HD22 LEU B 8 18.202 13.897 23.783 1.00 0.00 H new ATOM 0 HD23 LEU B 8 18.867 13.180 22.296 1.00 0.00 H new ATOM 1215 N THR B 9 21.655 18.137 23.197 1.00 0.00 N ATOM 1216 CA THR B 9 22.540 18.734 24.210 1.00 0.00 C ATOM 1217 C THR B 9 21.918 18.569 25.603 1.00 0.00 C ATOM 1218 O THR B 9 20.744 18.885 25.813 1.00 0.00 O ATOM 1219 CB THR B 9 22.823 20.221 23.914 1.00 0.00 C ATOM 1220 OG1 THR B 9 23.188 20.412 22.561 1.00 0.00 O ATOM 1221 CG2 THR B 9 23.992 20.759 24.736 1.00 0.00 C ATOM 0 H THR B 9 20.793 18.665 23.063 1.00 0.00 H new ATOM 0 HA THR B 9 23.496 18.211 24.178 1.00 0.00 H new ATOM 0 HB THR B 9 21.900 20.745 24.163 1.00 0.00 H new ATOM 0 HG1 THR B 9 23.360 21.363 22.400 1.00 0.00 H new ATOM 0 HG21 THR B 9 24.154 21.809 24.494 1.00 0.00 H new ATOM 0 HG22 THR B 9 23.765 20.662 25.798 1.00 0.00 H new ATOM 0 HG23 THR B 9 24.892 20.190 24.504 1.00 0.00 H new ATOM 1229 N LYS B 10 22.704 18.081 26.566 1.00 0.00 N ATOM 1230 CA LYS B 10 22.316 17.914 27.979 1.00 0.00 C ATOM 1231 C LYS B 10 22.329 19.241 28.752 1.00 0.00 C ATOM 1232 O LYS B 10 22.985 20.201 28.345 1.00 0.00 O ATOM 1233 CB LYS B 10 23.258 16.892 28.650 1.00 0.00 C ATOM 1234 CG LYS B 10 23.147 15.488 28.029 1.00 0.00 C ATOM 1235 CD LYS B 10 23.930 14.430 28.826 1.00 0.00 C ATOM 1236 CE LYS B 10 25.446 14.638 28.742 1.00 0.00 C ATOM 1237 NZ LYS B 10 26.165 13.609 29.533 1.00 0.00 N1+ ATOM 0 H LYS B 10 23.661 17.780 26.383 1.00 0.00 H new ATOM 0 HA LYS B 10 21.290 17.547 28.002 1.00 0.00 H new ATOM 0 HB2 LYS B 10 24.287 17.242 28.566 1.00 0.00 H new ATOM 0 HB3 LYS B 10 23.027 16.834 29.714 1.00 0.00 H new ATOM 0 HG2 LYS B 10 22.098 15.198 27.979 1.00 0.00 H new ATOM 0 HG3 LYS B 10 23.519 15.516 27.005 1.00 0.00 H new ATOM 0 HD2 LYS B 10 23.619 14.462 29.870 1.00 0.00 H new ATOM 0 HD3 LYS B 10 23.681 13.438 28.450 1.00 0.00 H new ATOM 0 HE2 LYS B 10 25.766 14.592 27.701 1.00 0.00 H new ATOM 0 HE3 LYS B 10 25.702 15.631 29.111 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 27.190 13.770 29.461 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 25.874 13.671 30.529 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 25.936 12.664 29.163 1.00 0.00 H new ATOM 1251 N ALA B 11 21.680 19.267 29.921 1.00 0.00 N ATOM 1252 CA ALA B 11 21.743 20.392 30.871 1.00 0.00 C ATOM 1253 C ALA B 11 23.172 20.687 31.386 1.00 0.00 C ATOM 1254 O ALA B 11 23.487 21.826 31.739 1.00 0.00 O ATOM 1255 CB ALA B 11 20.785 20.075 32.031 1.00 0.00 C ATOM 0 H ALA B 11 21.088 18.500 30.241 1.00 0.00 H new ATOM 0 HA ALA B 11 21.442 21.303 30.353 1.00 0.00 H new ATOM 0 HB1 ALA B 11 20.807 20.890 32.754 1.00 0.00 H new ATOM 0 HB2 ALA B 11 19.772 19.960 31.645 1.00 0.00 H new ATOM 0 HB3 ALA B 11 21.095 19.150 32.517 1.00 0.00 H new ATOM 1261 N ASP B 12 24.052 19.678 31.374 1.00 0.00 N ATOM 1262 CA ASP B 12 25.490 19.791 31.679 1.00 0.00 C ATOM 1263 C ASP B 12 26.332 20.418 30.541 1.00 0.00 C ATOM 1264 O ASP B 12 27.538 20.628 30.703 1.00 0.00 O ATOM 1265 CB ASP B 12 26.047 18.396 32.038 1.00 0.00 C ATOM 1266 CG ASP B 12 25.377 17.725 33.258 1.00 0.00 C ATOM 1267 OD1 ASP B 12 24.817 18.420 34.140 1.00 0.00 O ATOM 1268 OD2 ASP B 12 25.431 16.474 33.345 1.00 0.00 O1- ATOM 0 H ASP B 12 23.775 18.724 31.143 1.00 0.00 H new ATOM 0 HA ASP B 12 25.574 20.475 32.523 1.00 0.00 H new ATOM 0 HB2 ASP B 12 25.934 17.742 31.174 1.00 0.00 H new ATOM 0 HB3 ASP B 12 27.116 18.486 32.232 1.00 0.00 H new ATOM 1273 N GLY B 13 25.732 20.696 29.377 1.00 0.00 N ATOM 1274 CA GLY B 13 26.393 21.266 28.190 1.00 0.00 C ATOM 1275 C GLY B 13 27.108 20.256 27.275 1.00 0.00 C ATOM 1276 O GLY B 13 27.546 20.625 26.183 1.00 0.00 O ATOM 0 H GLY B 13 24.738 20.525 29.228 1.00 0.00 H new ATOM 0 HA2 GLY B 13 25.646 21.797 27.600 1.00 0.00 H new ATOM 0 HA3 GLY B 13 27.121 22.006 28.522 1.00 0.00 H new ATOM 1280 N GLY B 14 27.204 18.984 27.680 1.00 0.00 N ATOM 1281 CA GLY B 14 27.682 17.883 26.832 1.00 0.00 C ATOM 1282 C GLY B 14 26.627 17.443 25.803 1.00 0.00 C ATOM 1283 O GLY B 14 25.442 17.742 25.962 1.00 0.00 O ATOM 0 H GLY B 14 26.948 18.685 28.621 1.00 0.00 H new ATOM 0 HA2 GLY B 14 28.587 18.194 26.311 1.00 0.00 H new ATOM 0 HA3 GLY B 14 27.951 17.034 27.460 1.00 0.00 H new ATOM 1287 N ARG B 15 27.044 16.713 24.760 1.00 0.00 N ATOM 1288 CA ARG B 15 26.160 16.223 23.684 1.00 0.00 C ATOM 1289 C ARG B 15 26.113 14.701 23.587 1.00 0.00 C ATOM 1290 O ARG B 15 27.058 14.009 23.970 1.00 0.00 O ATOM 1291 CB ARG B 15 26.527 16.884 22.344 1.00 0.00 C ATOM 1292 CG ARG B 15 26.019 18.329 22.298 1.00 0.00 C ATOM 1293 CD ARG B 15 26.278 19.000 20.946 1.00 0.00 C ATOM 1294 NE ARG B 15 25.520 20.262 20.858 1.00 0.00 N ATOM 1295 CZ ARG B 15 25.664 21.250 19.997 1.00 0.00 C ATOM 1296 NH1 ARG B 15 26.563 21.224 19.051 1.00 0.00 N1+ ATOM 1297 NH2 ARG B 15 24.893 22.290 20.077 1.00 0.00 N ATOM 0 H ARG B 15 28.019 16.440 24.634 1.00 0.00 H new ATOM 0 HA ARG B 15 25.144 16.520 23.943 1.00 0.00 H new ATOM 0 HB2 ARG B 15 27.608 16.869 22.209 1.00 0.00 H new ATOM 0 HB3 ARG B 15 26.095 16.315 21.521 1.00 0.00 H new ATOM 0 HG2 ARG B 15 24.949 18.341 22.507 1.00 0.00 H new ATOM 0 HG3 ARG B 15 26.504 18.906 23.085 1.00 0.00 H new ATOM 0 HD2 ARG B 15 27.343 19.197 20.826 1.00 0.00 H new ATOM 0 HD3 ARG B 15 25.984 18.332 20.136 1.00 0.00 H new ATOM 0 HE ARG B 15 24.787 20.387 21.556 1.00 0.00 H new ATOM 0 HH11 ARG B 15 27.184 20.420 18.960 1.00 0.00 H new ATOM 0 HH12 ARG B 15 26.644 22.008 18.403 1.00 0.00 H new ATOM 0 HH21 ARG B 15 24.179 22.341 20.804 1.00 0.00 H new ATOM 0 HH22 ARG B 15 25.001 23.057 19.413 1.00 0.00 H new ATOM 1311 N VAL B 16 24.981 14.202 23.079 1.00 0.00 N ATOM 1312 CA VAL B 16 24.632 12.768 22.991 1.00 0.00 C ATOM 1313 C VAL B 16 24.032 12.468 21.613 1.00 0.00 C ATOM 1314 O VAL B 16 23.259 13.271 21.084 1.00 0.00 O ATOM 1315 CB VAL B 16 23.650 12.369 24.119 1.00 0.00 C ATOM 1316 CG1 VAL B 16 23.227 10.894 24.049 1.00 0.00 C ATOM 1317 CG2 VAL B 16 24.253 12.610 25.509 1.00 0.00 C ATOM 0 H VAL B 16 24.250 14.805 22.701 1.00 0.00 H new ATOM 0 HA VAL B 16 25.538 12.176 23.118 1.00 0.00 H new ATOM 0 HB VAL B 16 22.776 13.003 23.966 1.00 0.00 H new ATOM 0 HG11 VAL B 16 22.539 10.674 24.865 1.00 0.00 H new ATOM 0 HG12 VAL B 16 22.734 10.702 23.096 1.00 0.00 H new ATOM 0 HG13 VAL B 16 24.108 10.258 24.136 1.00 0.00 H new ATOM 0 HG21 VAL B 16 23.533 12.318 26.274 1.00 0.00 H new ATOM 0 HG22 VAL B 16 25.161 12.017 25.620 1.00 0.00 H new ATOM 0 HG23 VAL B 16 24.494 13.667 25.623 1.00 0.00 H new ATOM 1327 N GLU B 17 24.361 11.305 21.052 1.00 0.00 N ATOM 1328 CA GLU B 17 23.761 10.767 19.824 1.00 0.00 C ATOM 1329 C GLU B 17 23.150 9.372 20.056 1.00 0.00 C ATOM 1330 O GLU B 17 23.698 8.554 20.799 1.00 0.00 O ATOM 1331 CB GLU B 17 24.779 10.725 18.669 1.00 0.00 C ATOM 1332 CG GLU B 17 25.245 12.120 18.229 1.00 0.00 C ATOM 1333 CD GLU B 17 26.094 12.063 16.953 1.00 0.00 C ATOM 1334 OE1 GLU B 17 25.577 11.638 15.889 1.00 0.00 O ATOM 1335 OE2 GLU B 17 27.280 12.475 16.992 1.00 0.00 O1- ATOM 0 H GLU B 17 25.072 10.691 21.448 1.00 0.00 H new ATOM 0 HA GLU B 17 22.956 11.445 19.541 1.00 0.00 H new ATOM 0 HB2 GLU B 17 25.645 10.139 18.977 1.00 0.00 H new ATOM 0 HB3 GLU B 17 24.333 10.212 17.817 1.00 0.00 H new ATOM 0 HG2 GLU B 17 24.376 12.756 18.059 1.00 0.00 H new ATOM 0 HG3 GLU B 17 25.824 12.579 19.030 1.00 0.00 H new ATOM 1342 N ILE B 18 22.007 9.102 19.412 1.00 0.00 N ATOM 1343 CA ILE B 18 21.200 7.883 19.585 1.00 0.00 C ATOM 1344 C ILE B 18 20.806 7.351 18.201 1.00 0.00 C ATOM 1345 O ILE B 18 19.974 7.965 17.530 1.00 0.00 O ATOM 1346 CB ILE B 18 19.951 8.174 20.460 1.00 0.00 C ATOM 1347 CG1 ILE B 18 20.312 8.801 21.830 1.00 0.00 C ATOM 1348 CG2 ILE B 18 19.121 6.890 20.658 1.00 0.00 C ATOM 1349 CD1 ILE B 18 19.102 9.317 22.613 1.00 0.00 C ATOM 0 H ILE B 18 21.603 9.747 18.733 1.00 0.00 H new ATOM 0 HA ILE B 18 21.784 7.122 20.104 1.00 0.00 H new ATOM 0 HB ILE B 18 19.354 8.911 19.923 1.00 0.00 H new ATOM 0 HG12 ILE B 18 20.833 8.057 22.433 1.00 0.00 H new ATOM 0 HG13 ILE B 18 21.007 9.625 21.670 1.00 0.00 H new ATOM 0 HG21 ILE B 18 18.249 7.112 21.274 1.00 0.00 H new ATOM 0 HG22 ILE B 18 18.794 6.515 19.688 1.00 0.00 H new ATOM 0 HG23 ILE B 18 19.732 6.135 21.152 1.00 0.00 H new ATOM 0 HD11 ILE B 18 19.435 9.741 23.560 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.592 10.085 22.031 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.415 8.493 22.806 1.00 0.00 H new ATOM 1361 N GLY B 19 21.401 6.243 17.760 1.00 0.00 N ATOM 1362 CA GLY B 19 21.077 5.588 16.482 1.00 0.00 C ATOM 1363 C GLY B 19 19.843 4.678 16.549 1.00 0.00 C ATOM 1364 O GLY B 19 19.266 4.472 17.618 1.00 0.00 O ATOM 0 H GLY B 19 22.133 5.764 18.284 1.00 0.00 H new ATOM 0 HA2 GLY B 19 20.912 6.353 15.724 1.00 0.00 H new ATOM 0 HA3 GLY B 19 21.935 4.998 16.159 1.00 0.00 H new ATOM 1368 N ASP B 20 19.469 4.083 15.412 1.00 0.00 N ATOM 1369 CA ASP B 20 18.455 3.013 15.314 1.00 0.00 C ATOM 1370 C ASP B 20 17.052 3.411 15.841 1.00 0.00 C ATOM 1371 O ASP B 20 16.312 2.593 16.398 1.00 0.00 O ATOM 1372 CB ASP B 20 19.029 1.717 15.931 1.00 0.00 C ATOM 1373 CG ASP B 20 20.348 1.253 15.289 1.00 0.00 C ATOM 1374 OD1 ASP B 20 21.155 0.587 15.982 1.00 0.00 O ATOM 1375 OD2 ASP B 20 20.589 1.512 14.085 1.00 0.00 O1- ATOM 0 H ASP B 20 19.869 4.334 14.508 1.00 0.00 H new ATOM 0 HA ASP B 20 18.255 2.826 14.259 1.00 0.00 H new ATOM 0 HB2 ASP B 20 19.191 1.874 16.997 1.00 0.00 H new ATOM 0 HB3 ASP B 20 18.290 0.922 15.835 1.00 0.00 H new ATOM 1380 N VAL B 21 16.690 4.689 15.688 1.00 0.00 N ATOM 1381 CA VAL B 21 15.450 5.301 16.198 1.00 0.00 C ATOM 1382 C VAL B 21 14.235 4.977 15.319 1.00 0.00 C ATOM 1383 O VAL B 21 14.231 5.277 14.123 1.00 0.00 O ATOM 1384 CB VAL B 21 15.632 6.824 16.360 1.00 0.00 C ATOM 1385 CG1 VAL B 21 14.334 7.542 16.743 1.00 0.00 C ATOM 1386 CG2 VAL B 21 16.679 7.121 17.441 1.00 0.00 C ATOM 0 H VAL B 21 17.275 5.356 15.185 1.00 0.00 H new ATOM 0 HA VAL B 21 15.249 4.867 17.177 1.00 0.00 H new ATOM 0 HB VAL B 21 15.955 7.196 15.388 1.00 0.00 H new ATOM 0 HG11 VAL B 21 14.525 8.610 16.843 1.00 0.00 H new ATOM 0 HG12 VAL B 21 13.585 7.378 15.968 1.00 0.00 H new ATOM 0 HG13 VAL B 21 13.967 7.149 17.691 1.00 0.00 H new ATOM 0 HG21 VAL B 21 16.798 8.199 17.546 1.00 0.00 H new ATOM 0 HG22 VAL B 21 16.351 6.698 18.391 1.00 0.00 H new ATOM 0 HG23 VAL B 21 17.633 6.677 17.156 1.00 0.00 H new ATOM 1396 N LEU B 22 13.185 4.411 15.928 1.00 0.00 N ATOM 1397 CA LEU B 22 11.869 4.212 15.308 1.00 0.00 C ATOM 1398 C LEU B 22 10.985 5.455 15.413 1.00 0.00 C ATOM 1399 O LEU B 22 10.240 5.739 14.477 1.00 0.00 O ATOM 1400 CB LEU B 22 11.130 3.037 15.982 1.00 0.00 C ATOM 1401 CG LEU B 22 11.726 1.636 15.752 1.00 0.00 C ATOM 1402 CD1 LEU B 22 10.870 0.616 16.506 1.00 0.00 C ATOM 1403 CD2 LEU B 22 11.749 1.222 14.281 1.00 0.00 C ATOM 0 H LEU B 22 13.228 4.071 16.889 1.00 0.00 H new ATOM 0 HA LEU B 22 12.052 4.000 14.255 1.00 0.00 H new ATOM 0 HB2 LEU B 22 11.098 3.223 17.055 1.00 0.00 H new ATOM 0 HB3 LEU B 22 10.099 3.033 15.628 1.00 0.00 H new ATOM 0 HG LEU B 22 12.756 1.667 16.106 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.277 -0.384 16.355 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.875 0.853 17.570 1.00 0.00 H new ATOM 0 HD13 LEU B 22 9.847 0.651 16.131 1.00 0.00 H new ATOM 0 HD21 LEU B 22 12.181 0.225 14.190 1.00 0.00 H new ATOM 0 HD22 LEU B 22 10.732 1.214 13.889 1.00 0.00 H new ATOM 0 HD23 LEU B 22 12.351 1.931 13.713 1.00 0.00 H new ATOM 1415 N GLU B 23 11.027 6.186 16.532 1.00 0.00 N ATOM 1416 CA GLU B 23 10.083 7.279 16.790 1.00 0.00 C ATOM 1417 C GLU B 23 10.626 8.321 17.776 1.00 0.00 C ATOM 1418 O GLU B 23 11.378 7.993 18.695 1.00 0.00 O ATOM 1419 CB GLU B 23 8.751 6.686 17.288 1.00 0.00 C ATOM 1420 CG GLU B 23 7.618 7.721 17.345 1.00 0.00 C ATOM 1421 CD GLU B 23 6.257 7.141 17.748 1.00 0.00 C ATOM 1422 OE1 GLU B 23 5.255 7.883 17.630 1.00 0.00 O ATOM 1423 OE2 GLU B 23 6.144 6.012 18.276 1.00 0.00 O1- ATOM 0 H GLU B 23 11.708 6.039 17.277 1.00 0.00 H new ATOM 0 HA GLU B 23 9.925 7.813 15.853 1.00 0.00 H new ATOM 0 HB2 GLU B 23 8.456 5.868 16.631 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.898 6.261 18.281 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.891 8.503 18.053 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.524 8.194 16.368 1.00 0.00 H new ATOM 1430 N VAL B 24 10.206 9.576 17.604 1.00 0.00 N ATOM 1431 CA VAL B 24 10.504 10.724 18.471 1.00 0.00 C ATOM 1432 C VAL B 24 9.225 11.539 18.718 1.00 0.00 C ATOM 1433 O VAL B 24 8.481 11.810 17.773 1.00 0.00 O ATOM 1434 CB VAL B 24 11.600 11.616 17.850 1.00 0.00 C ATOM 1435 CG1 VAL B 24 12.023 12.747 18.788 1.00 0.00 C ATOM 1436 CG2 VAL B 24 12.854 10.814 17.508 1.00 0.00 C ATOM 0 H VAL B 24 9.616 9.836 16.813 1.00 0.00 H new ATOM 0 HA VAL B 24 10.877 10.349 19.424 1.00 0.00 H new ATOM 0 HB VAL B 24 11.157 12.031 16.945 1.00 0.00 H new ATOM 0 HG11 VAL B 24 12.796 13.348 18.308 1.00 0.00 H new ATOM 0 HG12 VAL B 24 11.161 13.376 19.012 1.00 0.00 H new ATOM 0 HG13 VAL B 24 12.414 12.325 19.714 1.00 0.00 H new ATOM 0 HG21 VAL B 24 13.602 11.477 17.073 1.00 0.00 H new ATOM 0 HG22 VAL B 24 13.254 10.360 18.415 1.00 0.00 H new ATOM 0 HG23 VAL B 24 12.602 10.032 16.792 1.00 0.00 H new ATOM 1446 N ARG B 25 8.978 11.957 19.967 1.00 0.00 N ATOM 1447 CA ARG B 25 7.793 12.738 20.376 1.00 0.00 C ATOM 1448 C ARG B 25 8.181 13.875 21.326 1.00 0.00 C ATOM 1449 O ARG B 25 8.781 13.616 22.368 1.00 0.00 O ATOM 1450 CB ARG B 25 6.749 11.831 21.064 1.00 0.00 C ATOM 1451 CG ARG B 25 6.244 10.655 20.222 1.00 0.00 C ATOM 1452 CD ARG B 25 5.151 9.892 20.982 1.00 0.00 C ATOM 1453 NE ARG B 25 4.814 8.616 20.327 1.00 0.00 N ATOM 1454 CZ ARG B 25 4.181 7.587 20.859 1.00 0.00 C ATOM 1455 NH1 ARG B 25 3.604 7.652 22.026 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 25 4.123 6.461 20.214 1.00 0.00 N ATOM 0 H ARG B 25 9.610 11.759 20.743 1.00 0.00 H new ATOM 0 HA ARG B 25 7.358 13.166 19.473 1.00 0.00 H new ATOM 0 HB2 ARG B 25 7.184 11.438 21.983 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.894 12.443 21.352 1.00 0.00 H new ATOM 0 HG2 ARG B 25 5.851 11.020 19.273 1.00 0.00 H new ATOM 0 HG3 ARG B 25 7.071 9.984 19.988 1.00 0.00 H new ATOM 0 HD2 ARG B 25 5.485 9.699 22.002 1.00 0.00 H new ATOM 0 HD3 ARG B 25 4.257 10.512 21.051 1.00 0.00 H new ATOM 0 HE ARG B 25 5.102 8.517 19.354 1.00 0.00 H new ATOM 0 HH11 ARG B 25 3.632 8.520 22.561 1.00 0.00 H new ATOM 0 HH12 ARG B 25 3.124 6.835 22.404 1.00 0.00 H new ATOM 0 HH21 ARG B 25 4.566 6.374 19.299 1.00 0.00 H new ATOM 0 HH22 ARG B 25 3.635 5.664 20.622 1.00 0.00 H new ATOM 1470 N ALA B 26 7.814 15.111 21.001 1.00 0.00 N ATOM 1471 CA ALA B 26 7.854 16.256 21.910 1.00 0.00 C ATOM 1472 C ALA B 26 6.496 16.424 22.616 1.00 0.00 C ATOM 1473 O ALA B 26 5.452 16.498 21.955 1.00 0.00 O ATOM 1474 CB ALA B 26 8.249 17.515 21.125 1.00 0.00 C ATOM 0 H ALA B 26 7.470 15.352 20.071 1.00 0.00 H new ATOM 0 HA ALA B 26 8.603 16.088 22.684 1.00 0.00 H new ATOM 0 HB1 ALA B 26 8.280 18.370 21.800 1.00 0.00 H new ATOM 0 HB2 ALA B 26 9.232 17.371 20.677 1.00 0.00 H new ATOM 0 HB3 ALA B 26 7.516 17.699 20.340 1.00 0.00 H new ATOM 1509 N ALA B 30 9.307 18.174 27.351 1.00 0.00 N ATOM 1510 CA ALA B 30 10.354 17.184 27.115 1.00 0.00 C ATOM 1511 C ALA B 30 10.281 16.575 25.708 1.00 0.00 C ATOM 1512 O ALA B 30 9.248 16.644 25.036 1.00 0.00 O ATOM 1513 CB ALA B 30 10.204 16.085 28.180 1.00 0.00 C ATOM 0 HA ALA B 30 11.326 17.673 27.185 1.00 0.00 H new ATOM 0 HB1 ALA B 30 10.973 15.327 28.032 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.312 16.523 29.172 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.220 15.625 28.092 1.00 0.00 H new ATOM 1519 N VAL B 31 11.361 15.899 25.299 1.00 0.00 N ATOM 1520 CA VAL B 31 11.358 14.988 24.137 1.00 0.00 C ATOM 1521 C VAL B 31 11.636 13.549 24.576 1.00 0.00 C ATOM 1522 O VAL B 31 12.505 13.301 25.411 1.00 0.00 O ATOM 1523 CB VAL B 31 12.318 15.438 23.015 1.00 0.00 C ATOM 1524 CG1 VAL B 31 12.257 14.513 21.794 1.00 0.00 C ATOM 1525 CG2 VAL B 31 11.955 16.839 22.517 1.00 0.00 C ATOM 0 H VAL B 31 12.267 15.965 25.763 1.00 0.00 H new ATOM 0 HA VAL B 31 10.358 15.028 23.706 1.00 0.00 H new ATOM 0 HB VAL B 31 13.316 15.415 23.453 1.00 0.00 H new ATOM 0 HG11 VAL B 31 12.949 14.870 21.032 1.00 0.00 H new ATOM 0 HG12 VAL B 31 12.534 13.501 22.090 1.00 0.00 H new ATOM 0 HG13 VAL B 31 11.244 14.509 21.391 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.645 17.134 21.727 1.00 0.00 H new ATOM 0 HG22 VAL B 31 10.937 16.834 22.127 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.024 17.548 23.342 1.00 0.00 H new ATOM 1535 N ARG B 32 10.893 12.597 24.004 1.00 0.00 N ATOM 1536 CA ARG B 32 11.054 11.145 24.188 1.00 0.00 C ATOM 1537 C ARG B 32 11.421 10.458 22.873 1.00 0.00 C ATOM 1538 O ARG B 32 11.035 10.932 21.801 1.00 0.00 O ATOM 1539 CB ARG B 32 9.766 10.555 24.793 1.00 0.00 C ATOM 1540 CG ARG B 32 9.599 10.924 26.277 1.00 0.00 C ATOM 1541 CD ARG B 32 8.271 10.398 26.828 1.00 0.00 C ATOM 1542 NE ARG B 32 8.194 10.577 28.291 1.00 0.00 N ATOM 1543 CZ ARG B 32 7.112 10.789 29.024 1.00 0.00 C ATOM 1544 NH1 ARG B 32 5.931 10.997 28.512 1.00 0.00 N1+ ATOM 1545 NH2 ARG B 32 7.201 10.789 30.324 1.00 0.00 N ATOM 0 H ARG B 32 10.127 12.824 23.370 1.00 0.00 H new ATOM 0 HA ARG B 32 11.877 10.966 24.880 1.00 0.00 H new ATOM 0 HB2 ARG B 32 8.904 10.916 24.231 1.00 0.00 H new ATOM 0 HB3 ARG B 32 9.782 9.470 24.690 1.00 0.00 H new ATOM 0 HG2 ARG B 32 10.426 10.509 26.854 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.641 12.007 26.393 1.00 0.00 H new ATOM 0 HD2 ARG B 32 7.443 10.922 26.350 1.00 0.00 H new ATOM 0 HD3 ARG B 32 8.165 9.342 26.582 1.00 0.00 H new ATOM 0 HE ARG B 32 9.079 10.532 28.797 1.00 0.00 H new ATOM 0 HH11 ARG B 32 5.808 11.002 27.499 1.00 0.00 H new ATOM 0 HH12 ARG B 32 5.130 11.155 29.124 1.00 0.00 H new ATOM 0 HH21 ARG B 32 8.102 10.626 30.774 1.00 0.00 H new ATOM 0 HH22 ARG B 32 6.370 10.952 30.892 1.00 0.00 H new ATOM 1559 N VAL B 33 12.152 9.349 22.956 1.00 0.00 N ATOM 1560 CA VAL B 33 12.681 8.573 21.818 1.00 0.00 C ATOM 1561 C VAL B 33 12.450 7.072 22.025 1.00 0.00 C ATOM 1562 O VAL B 33 12.602 6.582 23.145 1.00 0.00 O ATOM 1563 CB VAL B 33 14.188 8.838 21.597 1.00 0.00 C ATOM 1564 CG1 VAL B 33 14.722 8.206 20.305 1.00 0.00 C ATOM 1565 CG2 VAL B 33 14.543 10.332 21.568 1.00 0.00 C ATOM 0 H VAL B 33 12.408 8.942 23.855 1.00 0.00 H new ATOM 0 HA VAL B 33 12.140 8.901 20.930 1.00 0.00 H new ATOM 0 HB VAL B 33 14.663 8.370 22.459 1.00 0.00 H new ATOM 0 HG11 VAL B 33 15.785 8.426 20.205 1.00 0.00 H new ATOM 0 HG12 VAL B 33 14.577 7.126 20.341 1.00 0.00 H new ATOM 0 HG13 VAL B 33 14.184 8.616 19.450 1.00 0.00 H new ATOM 0 HG21 VAL B 33 15.615 10.448 21.410 1.00 0.00 H new ATOM 0 HG22 VAL B 33 14.002 10.819 20.757 1.00 0.00 H new ATOM 0 HG23 VAL B 33 14.265 10.791 22.517 1.00 0.00 H new ATOM 1575 N THR B 34 12.136 6.345 20.953 1.00 0.00 N ATOM 1576 CA THR B 34 12.011 4.875 20.940 1.00 0.00 C ATOM 1577 C THR B 34 12.937 4.273 19.882 1.00 0.00 C ATOM 1578 O THR B 34 12.963 4.744 18.745 1.00 0.00 O ATOM 1579 CB THR B 34 10.559 4.454 20.667 1.00 0.00 C ATOM 1580 OG1 THR B 34 9.699 4.990 21.656 1.00 0.00 O ATOM 1581 CG2 THR B 34 10.355 2.937 20.676 1.00 0.00 C ATOM 0 H THR B 34 11.955 6.767 20.042 1.00 0.00 H new ATOM 0 HA THR B 34 12.302 4.500 21.921 1.00 0.00 H new ATOM 0 HB THR B 34 10.328 4.836 19.672 1.00 0.00 H new ATOM 0 HG1 THR B 34 8.776 4.716 21.470 1.00 0.00 H new ATOM 0 HG21 THR B 34 9.308 2.710 20.477 1.00 0.00 H new ATOM 0 HG22 THR B 34 10.978 2.482 19.906 1.00 0.00 H new ATOM 0 HG23 THR B 34 10.634 2.538 21.651 1.00 0.00 H new ATOM 1589 N THR B 35 13.687 3.229 20.238 1.00 0.00 N ATOM 1590 CA THR B 35 14.614 2.503 19.337 1.00 0.00 C ATOM 1591 C THR B 35 14.056 1.145 18.879 1.00 0.00 C ATOM 1592 O THR B 35 13.119 0.607 19.479 1.00 0.00 O ATOM 1593 CB THR B 35 15.994 2.296 19.983 1.00 0.00 C ATOM 1594 OG1 THR B 35 15.898 1.400 21.068 1.00 0.00 O ATOM 1595 CG2 THR B 35 16.638 3.593 20.467 1.00 0.00 C ATOM 0 H THR B 35 13.674 2.847 21.184 1.00 0.00 H new ATOM 0 HA THR B 35 14.723 3.139 18.458 1.00 0.00 H new ATOM 0 HB THR B 35 16.633 1.886 19.200 1.00 0.00 H new ATOM 0 HG1 THR B 35 15.247 1.740 21.717 1.00 0.00 H new ATOM 0 HG21 THR B 35 17.609 3.373 20.912 1.00 0.00 H new ATOM 0 HG22 THR B 35 16.770 4.270 19.623 1.00 0.00 H new ATOM 0 HG23 THR B 35 15.995 4.062 21.212 1.00 0.00 H new ATOM 1603 N LEU B 36 14.651 0.555 17.832 1.00 0.00 N ATOM 1604 CA LEU B 36 14.262 -0.777 17.326 1.00 0.00 C ATOM 1605 C LEU B 36 14.505 -1.927 18.325 1.00 0.00 C ATOM 1606 O LEU B 36 13.930 -3.010 18.175 1.00 0.00 O ATOM 1607 CB LEU B 36 14.898 -1.032 15.946 1.00 0.00 C ATOM 1608 CG LEU B 36 16.427 -1.251 15.904 1.00 0.00 C ATOM 1609 CD1 LEU B 36 16.871 -2.679 16.236 1.00 0.00 C ATOM 1610 CD2 LEU B 36 16.942 -0.971 14.493 1.00 0.00 C ATOM 0 H LEU B 36 15.415 0.984 17.310 1.00 0.00 H new ATOM 0 HA LEU B 36 13.179 -0.765 17.203 1.00 0.00 H new ATOM 0 HB2 LEU B 36 14.419 -1.908 15.510 1.00 0.00 H new ATOM 0 HB3 LEU B 36 14.660 -0.185 15.302 1.00 0.00 H new ATOM 0 HG LEU B 36 16.830 -0.576 16.659 1.00 0.00 H new ATOM 0 HD11 LEU B 36 17.958 -2.744 16.183 1.00 0.00 H new ATOM 0 HD12 LEU B 36 16.541 -2.938 17.242 1.00 0.00 H new ATOM 0 HD13 LEU B 36 16.431 -3.373 15.520 1.00 0.00 H new ATOM 0 HD21 LEU B 36 18.021 -1.125 14.462 1.00 0.00 H new ATOM 0 HD22 LEU B 36 16.458 -1.647 13.788 1.00 0.00 H new ATOM 0 HD23 LEU B 36 16.715 0.060 14.221 1.00 0.00 H new ATOM 1622 N PHE B 37 15.309 -1.700 19.368 1.00 0.00 N ATOM 1623 CA PHE B 37 15.530 -2.626 20.490 1.00 0.00 C ATOM 1624 C PHE B 37 14.370 -2.653 21.508 1.00 0.00 C ATOM 1625 O PHE B 37 14.453 -3.344 22.525 1.00 0.00 O ATOM 1626 CB PHE B 37 16.856 -2.260 21.173 1.00 0.00 C ATOM 1627 CG PHE B 37 18.028 -2.175 20.212 1.00 0.00 C ATOM 1628 CD1 PHE B 37 18.554 -0.919 19.850 1.00 0.00 C ATOM 1629 CD2 PHE B 37 18.575 -3.349 19.654 1.00 0.00 C ATOM 1630 CE1 PHE B 37 19.612 -0.838 18.929 1.00 0.00 C ATOM 1631 CE2 PHE B 37 19.642 -3.265 18.740 1.00 0.00 C ATOM 1632 CZ PHE B 37 20.155 -2.007 18.375 1.00 0.00 C ATOM 0 H PHE B 37 15.844 -0.837 19.460 1.00 0.00 H new ATOM 0 HA PHE B 37 15.576 -3.636 20.084 1.00 0.00 H new ATOM 0 HB2 PHE B 37 16.742 -1.302 21.680 1.00 0.00 H new ATOM 0 HB3 PHE B 37 17.078 -3.002 21.940 1.00 0.00 H new ATOM 0 HD1 PHE B 37 18.144 -0.018 20.281 1.00 0.00 H new ATOM 0 HD2 PHE B 37 18.175 -4.314 19.928 1.00 0.00 H new ATOM 0 HE1 PHE B 37 20.008 0.126 18.647 1.00 0.00 H new ATOM 0 HE2 PHE B 37 20.066 -4.165 18.320 1.00 0.00 H new ATOM 0 HZ PHE B 37 20.968 -1.941 17.667 1.00 0.00 H new ATOM 1642 N ASP B 38 13.298 -1.883 21.261 1.00 0.00 N ATOM 1643 CA ASP B 38 12.186 -1.589 22.182 1.00 0.00 C ATOM 1644 C ASP B 38 12.623 -0.873 23.481 1.00 0.00 C ATOM 1645 O ASP B 38 11.910 -0.858 24.486 1.00 0.00 O ATOM 1646 CB ASP B 38 11.322 -2.843 22.411 1.00 0.00 C ATOM 1647 CG ASP B 38 9.905 -2.555 22.947 1.00 0.00 C ATOM 1648 OD1 ASP B 38 9.335 -3.424 23.652 1.00 0.00 O ATOM 1649 OD2 ASP B 38 9.318 -1.493 22.624 1.00 0.00 O1- ATOM 0 H ASP B 38 13.176 -1.421 20.360 1.00 0.00 H new ATOM 0 HA ASP B 38 11.548 -0.851 21.695 1.00 0.00 H new ATOM 0 HB2 ASP B 38 11.237 -3.387 21.470 1.00 0.00 H new ATOM 0 HB3 ASP B 38 11.836 -3.499 23.113 1.00 0.00 H new ATOM 1654 N GLU B 39 13.815 -0.260 23.471 1.00 0.00 N ATOM 1655 CA GLU B 39 14.305 0.628 24.533 1.00 0.00 C ATOM 1656 C GLU B 39 13.791 2.061 24.317 1.00 0.00 C ATOM 1657 O GLU B 39 13.676 2.542 23.179 1.00 0.00 O ATOM 1658 CB GLU B 39 15.845 0.561 24.615 1.00 0.00 C ATOM 1659 CG GLU B 39 16.500 1.447 25.690 1.00 0.00 C ATOM 1660 CD GLU B 39 16.118 1.048 27.130 1.00 0.00 C ATOM 1661 OE1 GLU B 39 17.023 0.650 27.907 1.00 0.00 O ATOM 1662 OE2 GLU B 39 14.927 1.150 27.514 1.00 0.00 O1- ATOM 0 H GLU B 39 14.480 -0.371 22.706 1.00 0.00 H new ATOM 0 HA GLU B 39 13.914 0.292 25.493 1.00 0.00 H new ATOM 0 HB2 GLU B 39 16.135 -0.474 24.798 1.00 0.00 H new ATOM 0 HB3 GLU B 39 16.254 0.839 23.644 1.00 0.00 H new ATOM 0 HG2 GLU B 39 17.583 1.395 25.582 1.00 0.00 H new ATOM 0 HG3 GLU B 39 16.212 2.484 25.520 1.00 0.00 H new ATOM 1669 N GLU B 40 13.486 2.754 25.421 1.00 0.00 N ATOM 1670 CA GLU B 40 12.949 4.120 25.431 1.00 0.00 C ATOM 1671 C GLU B 40 13.841 5.085 26.230 1.00 0.00 C ATOM 1672 O GLU B 40 14.459 4.706 27.231 1.00 0.00 O ATOM 1673 CB GLU B 40 11.521 4.141 25.998 1.00 0.00 C ATOM 1674 CG GLU B 40 10.511 3.421 25.087 1.00 0.00 C ATOM 1675 CD GLU B 40 9.089 3.387 25.682 1.00 0.00 C ATOM 1676 OE1 GLU B 40 8.725 4.249 26.522 1.00 0.00 O ATOM 1677 OE2 GLU B 40 8.300 2.486 25.303 1.00 0.00 O1- ATOM 0 H GLU B 40 13.609 2.369 26.358 1.00 0.00 H new ATOM 0 HA GLU B 40 12.930 4.460 24.396 1.00 0.00 H new ATOM 0 HB2 GLU B 40 11.518 3.670 26.981 1.00 0.00 H new ATOM 0 HB3 GLU B 40 11.205 5.175 26.138 1.00 0.00 H new ATOM 0 HG2 GLU B 40 10.483 3.919 24.118 1.00 0.00 H new ATOM 0 HG3 GLU B 40 10.851 2.400 24.911 1.00 0.00 H new ATOM 1684 N HIS B 41 13.863 6.349 25.805 1.00 0.00 N ATOM 1685 CA HIS B 41 14.641 7.436 26.420 1.00 0.00 C ATOM 1686 C HIS B 41 13.796 8.704 26.588 1.00 0.00 C ATOM 1687 O HIS B 41 12.843 8.919 25.831 1.00 0.00 O ATOM 1688 CB HIS B 41 15.891 7.739 25.569 1.00 0.00 C ATOM 1689 CG HIS B 41 16.745 6.540 25.246 1.00 0.00 C ATOM 1690 ND1 HIS B 41 17.659 5.938 26.118 1.00 0.00 N ATOM 1691 CD2 HIS B 41 16.739 5.856 24.061 1.00 0.00 C ATOM 1692 CE1 HIS B 41 18.177 4.899 25.437 1.00 0.00 C ATOM 1693 NE2 HIS B 41 17.645 4.830 24.202 1.00 0.00 N ATOM 0 H HIS B 41 13.323 6.659 24.997 1.00 0.00 H new ATOM 0 HA HIS B 41 14.952 7.108 27.412 1.00 0.00 H new ATOM 0 HB2 HIS B 41 15.573 8.203 24.635 1.00 0.00 H new ATOM 0 HB3 HIS B 41 16.503 8.471 26.096 1.00 0.00 H new ATOM 0 HD2 HIS B 41 16.142 6.077 23.189 1.00 0.00 H new ATOM 0 HE1 HIS B 41 18.917 4.216 25.827 1.00 0.00 H new ATOM 0 HE2 HIS B 41 17.875 4.135 23.492 1.00 0.00 H new ATOM 1701 N ALA B 42 14.150 9.555 27.555 1.00 0.00 N ATOM 1702 CA ALA B 42 13.464 10.817 27.859 1.00 0.00 C ATOM 1703 C ALA B 42 14.450 11.942 28.221 1.00 0.00 C ATOM 1704 O ALA B 42 15.404 11.727 28.982 1.00 0.00 O ATOM 1705 CB ALA B 42 12.454 10.595 28.991 1.00 0.00 C ATOM 0 H ALA B 42 14.947 9.381 28.168 1.00 0.00 H new ATOM 0 HA ALA B 42 12.937 11.138 26.960 1.00 0.00 H new ATOM 0 HB1 ALA B 42 11.946 11.533 29.215 1.00 0.00 H new ATOM 0 HB2 ALA B 42 11.720 9.850 28.683 1.00 0.00 H new ATOM 0 HB3 ALA B 42 12.976 10.244 29.881 1.00 0.00 H new ATOM 1711 N PHE B 43 14.193 13.147 27.708 1.00 0.00 N ATOM 1712 CA PHE B 43 15.069 14.318 27.805 1.00 0.00 C ATOM 1713 C PHE B 43 14.247 15.596 28.081 1.00 0.00 C ATOM 1714 O PHE B 43 13.748 16.225 27.136 1.00 0.00 O ATOM 1715 CB PHE B 43 15.913 14.420 26.523 1.00 0.00 C ATOM 1716 CG PHE B 43 16.731 13.175 26.227 1.00 0.00 C ATOM 1717 CD1 PHE B 43 17.907 12.917 26.960 1.00 0.00 C ATOM 1718 CD2 PHE B 43 16.292 12.245 25.269 1.00 0.00 C ATOM 1719 CE1 PHE B 43 18.628 11.731 26.738 1.00 0.00 C ATOM 1720 CE2 PHE B 43 17.019 11.065 25.041 1.00 0.00 C ATOM 1721 CZ PHE B 43 18.181 10.800 25.787 1.00 0.00 C ATOM 0 H PHE B 43 13.335 13.342 27.193 1.00 0.00 H new ATOM 0 HA PHE B 43 15.750 14.207 28.649 1.00 0.00 H new ATOM 0 HB2 PHE B 43 15.252 14.618 25.679 1.00 0.00 H new ATOM 0 HB3 PHE B 43 16.586 15.273 26.609 1.00 0.00 H new ATOM 0 HD1 PHE B 43 18.254 13.631 27.692 1.00 0.00 H new ATOM 0 HD2 PHE B 43 15.391 12.439 24.705 1.00 0.00 H new ATOM 0 HE1 PHE B 43 19.529 11.535 27.301 1.00 0.00 H new ATOM 0 HE2 PHE B 43 16.685 10.361 24.293 1.00 0.00 H new ATOM 0 HZ PHE B 43 18.728 9.883 25.629 1.00 0.00 H new ATOM 1731 N PRO B 44 14.054 15.976 29.359 1.00 0.00 N ATOM 1732 CA PRO B 44 13.325 17.189 29.730 1.00 0.00 C ATOM 1733 C PRO B 44 14.089 18.472 29.369 1.00 0.00 C ATOM 1734 O PRO B 44 15.324 18.512 29.363 1.00 0.00 O ATOM 1735 CB PRO B 44 13.042 17.064 31.231 1.00 0.00 C ATOM 1736 CG PRO B 44 14.179 16.168 31.734 1.00 0.00 C ATOM 1737 CD PRO B 44 14.463 15.248 30.551 1.00 0.00 C ATOM 0 HA PRO B 44 12.395 17.276 29.167 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.049 18.036 31.723 1.00 0.00 H new ATOM 0 HB3 PRO B 44 12.066 16.618 31.420 1.00 0.00 H new ATOM 0 HG2 PRO B 44 15.058 16.752 32.008 1.00 0.00 H new ATOM 0 HG3 PRO B 44 13.883 15.604 32.618 1.00 0.00 H new ATOM 0 HD2 PRO B 44 15.521 14.990 30.505 1.00 0.00 H new ATOM 0 HD3 PRO B 44 13.910 14.313 30.644 1.00 0.00 H new ATOM 1745 N GLY B 45 13.340 19.537 29.074 1.00 0.00 N ATOM 1746 CA GLY B 45 13.849 20.856 28.673 1.00 0.00 C ATOM 1747 C GLY B 45 14.140 21.002 27.172 1.00 0.00 C ATOM 1748 O GLY B 45 14.659 22.035 26.753 1.00 0.00 O ATOM 0 H GLY B 45 12.321 19.506 29.109 1.00 0.00 H new ATOM 0 HA2 GLY B 45 13.122 21.615 28.964 1.00 0.00 H new ATOM 0 HA3 GLY B 45 14.764 21.062 29.228 1.00 0.00 H new ATOM 1752 N LEU B 46 13.817 19.987 26.365 1.00 0.00 N ATOM 1753 CA LEU B 46 14.030 19.967 24.911 1.00 0.00 C ATOM 1754 C LEU B 46 12.727 20.051 24.096 1.00 0.00 C ATOM 1755 O LEU B 46 11.638 19.739 24.582 1.00 0.00 O ATOM 1756 CB LEU B 46 14.841 18.718 24.507 1.00 0.00 C ATOM 1757 CG LEU B 46 16.231 18.573 25.154 1.00 0.00 C ATOM 1758 CD1 LEU B 46 16.915 17.329 24.596 1.00 0.00 C ATOM 1759 CD2 LEU B 46 17.156 19.751 24.849 1.00 0.00 C ATOM 0 H LEU B 46 13.387 19.130 26.714 1.00 0.00 H new ATOM 0 HA LEU B 46 14.596 20.867 24.671 1.00 0.00 H new ATOM 0 HB2 LEU B 46 14.254 17.833 24.754 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.966 18.726 23.424 1.00 0.00 H new ATOM 0 HG LEU B 46 16.066 18.519 26.230 1.00 0.00 H new ATOM 0 HD11 LEU B 46 17.900 17.221 25.050 1.00 0.00 H new ATOM 0 HD12 LEU B 46 16.312 16.450 24.823 1.00 0.00 H new ATOM 0 HD13 LEU B 46 17.022 17.427 23.516 1.00 0.00 H new ATOM 0 HD21 LEU B 46 18.120 19.591 25.332 1.00 0.00 H new ATOM 0 HD22 LEU B 46 17.299 19.832 23.771 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.710 20.671 25.226 1.00 0.00 H new ATOM 1771 N ALA B 47 12.888 20.401 22.819 1.00 0.00 N ATOM 1772 CA ALA B 47 11.909 20.309 21.733 1.00 0.00 C ATOM 1773 C ALA B 47 12.630 19.897 20.424 1.00 0.00 C ATOM 1774 O ALA B 47 13.846 20.063 20.295 1.00 0.00 O ATOM 1775 CB ALA B 47 11.176 21.652 21.607 1.00 0.00 C ATOM 0 H ALA B 47 13.774 20.786 22.491 1.00 0.00 H new ATOM 0 HA ALA B 47 11.162 19.544 21.944 1.00 0.00 H new ATOM 0 HB1 ALA B 47 10.445 21.593 20.801 1.00 0.00 H new ATOM 0 HB2 ALA B 47 10.666 21.877 22.544 1.00 0.00 H new ATOM 0 HB3 ALA B 47 11.896 22.440 21.387 1.00 0.00 H new ATOM 1781 N ILE B 48 11.896 19.353 19.446 1.00 0.00 N ATOM 1782 CA ILE B 48 12.470 18.962 18.144 1.00 0.00 C ATOM 1783 C ILE B 48 12.755 20.238 17.317 1.00 0.00 C ATOM 1784 O ILE B 48 11.848 21.031 17.063 1.00 0.00 O ATOM 1785 CB ILE B 48 11.563 17.962 17.390 1.00 0.00 C ATOM 1786 CG1 ILE B 48 11.283 16.678 18.215 1.00 0.00 C ATOM 1787 CG2 ILE B 48 12.197 17.578 16.042 1.00 0.00 C ATOM 1788 CD1 ILE B 48 10.018 15.948 17.751 1.00 0.00 C ATOM 0 H ILE B 48 10.896 19.171 19.529 1.00 0.00 H new ATOM 0 HA ILE B 48 13.410 18.436 18.310 1.00 0.00 H new ATOM 0 HB ILE B 48 10.610 18.463 17.223 1.00 0.00 H new ATOM 0 HG12 ILE B 48 12.137 16.005 18.135 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.181 16.941 19.268 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.548 16.874 15.522 1.00 0.00 H new ATOM 0 HG22 ILE B 48 12.324 18.472 15.432 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.169 17.116 16.216 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.868 15.057 18.361 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.157 16.609 17.856 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.128 15.658 16.706 1.00 0.00 H new ATOM 1800 N GLY B 49 14.013 20.439 16.911 1.00 0.00 N ATOM 1801 CA GLY B 49 14.484 21.641 16.207 1.00 0.00 C ATOM 1802 C GLY B 49 14.476 21.524 14.681 1.00 0.00 C ATOM 1803 O GLY B 49 13.985 22.428 14.001 1.00 0.00 O ATOM 0 H GLY B 49 14.753 19.754 17.066 1.00 0.00 H new ATOM 0 HA2 GLY B 49 13.859 22.486 16.498 1.00 0.00 H new ATOM 0 HA3 GLY B 49 15.498 21.866 16.537 1.00 0.00 H new ATOM 1807 N ARG B 50 14.987 20.417 14.128 1.00 0.00 N ATOM 1808 CA ARG B 50 14.996 20.136 12.677 1.00 0.00 C ATOM 1809 C ARG B 50 15.121 18.640 12.355 1.00 0.00 C ATOM 1810 O ARG B 50 15.519 17.852 13.216 1.00 0.00 O ATOM 1811 CB ARG B 50 16.096 20.958 11.975 1.00 0.00 C ATOM 1812 CG ARG B 50 17.546 20.603 12.327 1.00 0.00 C ATOM 1813 CD ARG B 50 18.517 21.380 11.419 1.00 0.00 C ATOM 1814 NE ARG B 50 19.684 20.558 11.049 1.00 0.00 N ATOM 1815 CZ ARG B 50 20.889 20.534 11.588 1.00 0.00 C ATOM 1816 NH1 ARG B 50 21.770 19.707 11.111 1.00 0.00 N1+ ATOM 1817 NH2 ARG B 50 21.237 21.289 12.592 1.00 0.00 N ATOM 0 H ARG B 50 15.415 19.675 14.682 1.00 0.00 H new ATOM 0 HA ARG B 50 14.026 20.445 12.287 1.00 0.00 H new ATOM 0 HB2 ARG B 50 15.970 20.847 10.898 1.00 0.00 H new ATOM 0 HB3 ARG B 50 15.936 22.011 12.208 1.00 0.00 H new ATOM 0 HG2 ARG B 50 17.743 20.842 13.372 1.00 0.00 H new ATOM 0 HG3 ARG B 50 17.705 19.531 12.209 1.00 0.00 H new ATOM 0 HD2 ARG B 50 17.996 21.701 10.517 1.00 0.00 H new ATOM 0 HD3 ARG B 50 18.853 22.282 11.931 1.00 0.00 H new ATOM 0 HE ARG B 50 19.540 19.919 10.267 1.00 0.00 H new ATOM 0 HH11 ARG B 50 21.525 19.092 10.335 1.00 0.00 H new ATOM 0 HH12 ARG B 50 22.707 19.672 11.513 1.00 0.00 H new ATOM 0 HH21 ARG B 50 20.564 21.938 12.999 1.00 0.00 H new ATOM 0 HH22 ARG B 50 22.182 21.230 12.971 1.00 0.00 H new ATOM 1831 N VAL B 51 14.817 18.259 11.111 1.00 0.00 N ATOM 1832 CA VAL B 51 15.083 16.915 10.575 1.00 0.00 C ATOM 1833 C VAL B 51 15.688 17.020 9.172 1.00 0.00 C ATOM 1834 O VAL B 51 15.068 17.580 8.262 1.00 0.00 O ATOM 1835 CB VAL B 51 13.840 15.999 10.551 1.00 0.00 C ATOM 1836 CG1 VAL B 51 14.275 14.548 10.336 1.00 0.00 C ATOM 1837 CG2 VAL B 51 12.989 16.078 11.823 1.00 0.00 C ATOM 0 H VAL B 51 14.373 18.882 10.436 1.00 0.00 H new ATOM 0 HA VAL B 51 15.793 16.447 11.257 1.00 0.00 H new ATOM 0 HB VAL B 51 13.218 16.353 9.729 1.00 0.00 H new ATOM 0 HG11 VAL B 51 13.396 13.903 10.319 1.00 0.00 H new ATOM 0 HG12 VAL B 51 14.805 14.464 9.387 1.00 0.00 H new ATOM 0 HG13 VAL B 51 14.934 14.242 11.148 1.00 0.00 H new ATOM 0 HG21 VAL B 51 12.135 15.407 11.731 1.00 0.00 H new ATOM 0 HG22 VAL B 51 13.591 15.783 12.682 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.635 17.100 11.961 1.00 0.00 H new ATOM 1847 N ASP B 52 16.875 16.442 8.993 1.00 0.00 N ATOM 1848 CA ASP B 52 17.622 16.419 7.730 1.00 0.00 C ATOM 1849 C ASP B 52 17.446 15.059 7.036 1.00 0.00 C ATOM 1850 O ASP B 52 18.255 14.146 7.225 1.00 0.00 O ATOM 1851 CB ASP B 52 19.115 16.718 7.990 1.00 0.00 C ATOM 1852 CG ASP B 52 19.446 18.045 8.698 1.00 0.00 C ATOM 1853 OD1 ASP B 52 18.570 18.914 8.919 1.00 0.00 O ATOM 1854 OD2 ASP B 52 20.632 18.229 9.064 1.00 0.00 O1- ATOM 0 H ASP B 52 17.362 15.959 9.748 1.00 0.00 H new ATOM 0 HA ASP B 52 17.230 17.192 7.069 1.00 0.00 H new ATOM 0 HB2 ASP B 52 19.525 15.903 8.587 1.00 0.00 H new ATOM 0 HB3 ASP B 52 19.635 16.705 7.032 1.00 0.00 H new ATOM 1859 N LEU B 53 16.404 14.895 6.211 1.00 0.00 N ATOM 1860 CA LEU B 53 16.145 13.632 5.490 1.00 0.00 C ATOM 1861 C LEU B 53 17.201 13.332 4.408 1.00 0.00 C ATOM 1862 O LEU B 53 17.280 12.205 3.919 1.00 0.00 O ATOM 1863 CB LEU B 53 14.714 13.578 4.903 1.00 0.00 C ATOM 1864 CG LEU B 53 13.511 13.704 5.861 1.00 0.00 C ATOM 1865 CD1 LEU B 53 13.609 12.739 7.042 1.00 0.00 C ATOM 1866 CD2 LEU B 53 13.259 15.121 6.381 1.00 0.00 C ATOM 0 H LEU B 53 15.718 15.626 6.022 1.00 0.00 H new ATOM 0 HA LEU B 53 16.226 12.843 6.238 1.00 0.00 H new ATOM 0 HB2 LEU B 53 14.631 14.374 4.163 1.00 0.00 H new ATOM 0 HB3 LEU B 53 14.612 12.634 4.368 1.00 0.00 H new ATOM 0 HG LEU B 53 12.655 13.436 5.241 1.00 0.00 H new ATOM 0 HD11 LEU B 53 12.740 12.865 7.688 1.00 0.00 H new ATOM 0 HD12 LEU B 53 13.641 11.714 6.673 1.00 0.00 H new ATOM 0 HD13 LEU B 53 14.516 12.949 7.609 1.00 0.00 H new ATOM 0 HD21 LEU B 53 12.396 15.116 7.047 1.00 0.00 H new ATOM 0 HD22 LEU B 53 14.136 15.470 6.927 1.00 0.00 H new ATOM 0 HD23 LEU B 53 13.066 15.788 5.541 1.00 0.00 H new ATOM 1878 N ARG B 54 18.076 14.301 4.095 1.00 0.00 N ATOM 1879 CA ARG B 54 19.332 14.127 3.337 1.00 0.00 C ATOM 1880 C ARG B 54 20.321 13.148 3.997 1.00 0.00 C ATOM 1881 O ARG B 54 21.156 12.565 3.301 1.00 0.00 O ATOM 1882 CB ARG B 54 20.024 15.492 3.174 1.00 0.00 C ATOM 1883 CG ARG B 54 19.188 16.499 2.371 1.00 0.00 C ATOM 1884 CD ARG B 54 19.916 17.837 2.175 1.00 0.00 C ATOM 1885 NE ARG B 54 20.139 18.539 3.455 1.00 0.00 N ATOM 1886 CZ ARG B 54 21.273 18.747 4.090 1.00 0.00 C ATOM 1887 NH1 ARG B 54 22.433 18.346 3.639 1.00 0.00 N1+ ATOM 1888 NH2 ARG B 54 21.236 19.369 5.227 1.00 0.00 N ATOM 0 H ARG B 54 17.924 15.270 4.374 1.00 0.00 H new ATOM 0 HA ARG B 54 19.053 13.701 2.373 1.00 0.00 H new ATOM 0 HB2 ARG B 54 20.233 15.907 4.160 1.00 0.00 H new ATOM 0 HB3 ARG B 54 20.984 15.349 2.678 1.00 0.00 H new ATOM 0 HG2 ARG B 54 18.947 16.073 1.397 1.00 0.00 H new ATOM 0 HG3 ARG B 54 18.243 16.674 2.885 1.00 0.00 H new ATOM 0 HD2 ARG B 54 20.874 17.660 1.687 1.00 0.00 H new ATOM 0 HD3 ARG B 54 19.332 18.473 1.510 1.00 0.00 H new ATOM 0 HE ARG B 54 19.304 18.912 3.907 1.00 0.00 H new ATOM 0 HH11 ARG B 54 22.490 17.844 2.753 1.00 0.00 H new ATOM 0 HH12 ARG B 54 23.281 18.535 4.173 1.00 0.00 H new ATOM 0 HH21 ARG B 54 20.343 19.683 5.608 1.00 0.00 H new ATOM 0 HH22 ARG B 54 22.100 19.544 5.741 1.00 0.00 H new ATOM 1902 N SER B 55 20.236 12.966 5.322 1.00 0.00 N ATOM 1903 CA SER B 55 21.183 12.179 6.137 1.00 0.00 C ATOM 1904 C SER B 55 20.506 11.265 7.183 1.00 0.00 C ATOM 1905 O SER B 55 21.130 10.327 7.686 1.00 0.00 O ATOM 1906 CB SER B 55 22.164 13.165 6.795 1.00 0.00 C ATOM 1907 OG SER B 55 23.221 12.512 7.475 1.00 0.00 O ATOM 0 H SER B 55 19.484 13.374 5.877 1.00 0.00 H new ATOM 0 HA SER B 55 21.709 11.486 5.480 1.00 0.00 H new ATOM 0 HB2 SER B 55 22.580 13.822 6.031 1.00 0.00 H new ATOM 0 HB3 SER B 55 21.621 13.797 7.498 1.00 0.00 H new ATOM 0 HG SER B 55 23.816 13.181 7.874 1.00 0.00 H new ATOM 1913 N GLY B 56 19.226 11.489 7.505 1.00 0.00 N ATOM 1914 CA GLY B 56 18.478 10.761 8.541 1.00 0.00 C ATOM 1915 C GLY B 56 18.711 11.286 9.964 1.00 0.00 C ATOM 1916 O GLY B 56 18.516 10.548 10.934 1.00 0.00 O ATOM 0 H GLY B 56 18.665 12.202 7.039 1.00 0.00 H new ATOM 0 HA2 GLY B 56 17.414 10.818 8.314 1.00 0.00 H new ATOM 0 HA3 GLY B 56 18.756 9.708 8.503 1.00 0.00 H new ATOM 1920 N VAL B 57 19.143 12.541 10.106 1.00 0.00 N ATOM 1921 CA VAL B 57 19.426 13.181 11.411 1.00 0.00 C ATOM 1922 C VAL B 57 18.215 13.959 11.924 1.00 0.00 C ATOM 1923 O VAL B 57 17.747 14.892 11.271 1.00 0.00 O ATOM 1924 CB VAL B 57 20.670 14.086 11.336 1.00 0.00 C ATOM 1925 CG1 VAL B 57 20.974 14.763 12.684 1.00 0.00 C ATOM 1926 CG2 VAL B 57 21.908 13.276 10.925 1.00 0.00 C ATOM 0 H VAL B 57 19.311 13.158 9.311 1.00 0.00 H new ATOM 0 HA VAL B 57 19.637 12.384 12.124 1.00 0.00 H new ATOM 0 HB VAL B 57 20.448 14.851 10.592 1.00 0.00 H new ATOM 0 HG11 VAL B 57 21.859 15.391 12.584 1.00 0.00 H new ATOM 0 HG12 VAL B 57 20.125 15.377 12.982 1.00 0.00 H new ATOM 0 HG13 VAL B 57 21.154 14.000 13.442 1.00 0.00 H new ATOM 0 HG21 VAL B 57 22.775 13.935 10.878 1.00 0.00 H new ATOM 0 HG22 VAL B 57 22.089 12.490 11.658 1.00 0.00 H new ATOM 0 HG23 VAL B 57 21.740 12.827 9.946 1.00 0.00 H new ATOM 1936 N ILE B 58 17.742 13.604 13.116 1.00 0.00 N ATOM 1937 CA ILE B 58 16.794 14.377 13.927 1.00 0.00 C ATOM 1938 C ILE B 58 17.595 15.192 14.954 1.00 0.00 C ATOM 1939 O ILE B 58 18.414 14.632 15.689 1.00 0.00 O ATOM 1940 CB ILE B 58 15.789 13.415 14.607 1.00 0.00 C ATOM 1941 CG1 ILE B 58 14.843 12.792 13.563 1.00 0.00 C ATOM 1942 CG2 ILE B 58 14.979 14.123 15.707 1.00 0.00 C ATOM 1943 CD1 ILE B 58 14.019 11.616 14.091 1.00 0.00 C ATOM 0 H ILE B 58 18.019 12.732 13.566 1.00 0.00 H new ATOM 0 HA ILE B 58 16.217 15.065 13.309 1.00 0.00 H new ATOM 0 HB ILE B 58 16.366 12.620 15.079 1.00 0.00 H new ATOM 0 HG12 ILE B 58 14.164 13.563 13.198 1.00 0.00 H new ATOM 0 HG13 ILE B 58 15.432 12.455 12.710 1.00 0.00 H new ATOM 0 HG21 ILE B 58 14.285 13.415 16.160 1.00 0.00 H new ATOM 0 HG22 ILE B 58 15.658 14.505 16.470 1.00 0.00 H new ATOM 0 HG23 ILE B 58 14.420 14.951 15.271 1.00 0.00 H new ATOM 0 HD11 ILE B 58 13.379 11.234 13.296 1.00 0.00 H new ATOM 0 HD12 ILE B 58 14.689 10.825 14.429 1.00 0.00 H new ATOM 0 HD13 ILE B 58 13.401 11.950 14.925 1.00 0.00 H new ATOM 1955 N SER B 59 17.371 16.501 15.024 1.00 0.00 N ATOM 1956 CA SER B 59 18.105 17.415 15.914 1.00 0.00 C ATOM 1957 C SER B 59 17.178 18.052 16.951 1.00 0.00 C ATOM 1958 O SER B 59 16.163 18.659 16.592 1.00 0.00 O ATOM 1959 CB SER B 59 18.820 18.480 15.085 1.00 0.00 C ATOM 1960 OG SER B 59 19.621 19.299 15.919 1.00 0.00 O ATOM 0 H SER B 59 16.665 16.971 14.458 1.00 0.00 H new ATOM 0 HA SER B 59 18.849 16.839 16.463 1.00 0.00 H new ATOM 0 HB2 SER B 59 19.442 18.003 14.327 1.00 0.00 H new ATOM 0 HB3 SER B 59 18.088 19.092 14.558 1.00 0.00 H new ATOM 0 HG SER B 59 20.075 19.976 15.374 1.00 0.00 H new ATOM 1966 N LEU B 60 17.519 17.917 18.234 1.00 0.00 N ATOM 1967 CA LEU B 60 16.790 18.490 19.370 1.00 0.00 C ATOM 1968 C LEU B 60 17.493 19.761 19.884 1.00 0.00 C ATOM 1969 O LEU B 60 18.724 19.853 19.892 1.00 0.00 O ATOM 1970 CB LEU B 60 16.685 17.447 20.499 1.00 0.00 C ATOM 1971 CG LEU B 60 15.579 16.381 20.351 1.00 0.00 C ATOM 1972 CD1 LEU B 60 15.483 15.736 18.972 1.00 0.00 C ATOM 1973 CD2 LEU B 60 15.830 15.259 21.368 1.00 0.00 C ATOM 0 H LEU B 60 18.341 17.386 18.522 1.00 0.00 H new ATOM 0 HA LEU B 60 15.788 18.765 19.040 1.00 0.00 H new ATOM 0 HB2 LEU B 60 17.644 16.935 20.581 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.525 17.976 21.438 1.00 0.00 H new ATOM 0 HG LEU B 60 14.642 16.912 20.518 1.00 0.00 H new ATOM 0 HD11 LEU B 60 14.677 15.002 18.969 1.00 0.00 H new ATOM 0 HD12 LEU B 60 15.278 16.503 18.225 1.00 0.00 H new ATOM 0 HD13 LEU B 60 16.425 15.242 18.735 1.00 0.00 H new ATOM 0 HD21 LEU B 60 15.053 14.500 21.272 1.00 0.00 H new ATOM 0 HD22 LEU B 60 16.804 14.808 21.179 1.00 0.00 H new ATOM 0 HD23 LEU B 60 15.811 15.671 22.377 1.00 0.00 H new ATOM 1985 N ILE B 61 16.697 20.720 20.354 1.00 0.00 N ATOM 1986 CA ILE B 61 17.115 22.036 20.870 1.00 0.00 C ATOM 1987 C ILE B 61 16.381 22.358 22.175 1.00 0.00 C ATOM 1988 O ILE B 61 15.357 21.747 22.484 1.00 0.00 O ATOM 1989 CB ILE B 61 16.935 23.137 19.787 1.00 0.00 C ATOM 1990 CG1 ILE B 61 15.513 23.278 19.184 1.00 0.00 C ATOM 1991 CG2 ILE B 61 17.941 22.912 18.648 1.00 0.00 C ATOM 1992 CD1 ILE B 61 14.511 24.062 20.044 1.00 0.00 C ATOM 0 H ILE B 61 15.685 20.599 20.390 1.00 0.00 H new ATOM 0 HA ILE B 61 18.179 22.005 21.105 1.00 0.00 H new ATOM 0 HB ILE B 61 17.114 24.072 20.318 1.00 0.00 H new ATOM 0 HG12 ILE B 61 15.595 23.767 18.213 1.00 0.00 H new ATOM 0 HG13 ILE B 61 15.111 22.281 19.005 1.00 0.00 H new ATOM 0 HG21 ILE B 61 17.812 23.685 17.891 1.00 0.00 H new ATOM 0 HG22 ILE B 61 18.955 22.958 19.044 1.00 0.00 H new ATOM 0 HG23 ILE B 61 17.770 21.933 18.200 1.00 0.00 H new ATOM 0 HD11 ILE B 61 13.548 24.103 19.534 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.391 23.565 21.007 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.882 25.075 20.202 1.00 0.00 H new ATOM 2004 N GLU B 62 16.895 23.295 22.973 1.00 0.00 N ATOM 2005 CA GLU B 62 16.269 23.715 24.230 1.00 0.00 C ATOM 2006 C GLU B 62 14.913 24.408 23.996 1.00 0.00 C ATOM 2007 O GLU B 62 14.800 25.313 23.169 1.00 0.00 O ATOM 2008 CB GLU B 62 17.207 24.624 25.041 1.00 0.00 C ATOM 2009 CG GLU B 62 18.563 23.984 25.397 1.00 0.00 C ATOM 2010 CD GLU B 62 19.695 24.255 24.383 1.00 0.00 C ATOM 2011 OE1 GLU B 62 20.883 24.204 24.789 1.00 0.00 O ATOM 2012 OE2 GLU B 62 19.430 24.496 23.180 1.00 0.00 O1- ATOM 0 H GLU B 62 17.763 23.788 22.765 1.00 0.00 H new ATOM 0 HA GLU B 62 16.081 22.810 24.808 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.388 25.537 24.474 1.00 0.00 H new ATOM 0 HB3 GLU B 62 16.703 24.915 25.963 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.876 24.350 26.375 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.427 22.906 25.488 1.00 0.00 H new ATOM 2019 N GLU B 63 13.875 24.002 24.732 1.00 0.00 N ATOM 2020 CA GLU B 63 12.490 24.506 24.574 1.00 0.00 C ATOM 2021 C GLU B 63 12.298 25.964 25.041 1.00 0.00 C ATOM 2022 O GLU B 63 11.306 26.607 24.695 1.00 0.00 O ATOM 2023 CB GLU B 63 11.496 23.524 25.225 1.00 0.00 C ATOM 2024 CG GLU B 63 11.526 23.467 26.764 1.00 0.00 C ATOM 2025 CD GLU B 63 10.406 24.272 27.450 1.00 0.00 C ATOM 2026 OE1 GLU B 63 10.689 24.988 28.444 1.00 0.00 O ATOM 2027 OE2 GLU B 63 9.222 24.165 27.045 1.00 0.00 O1- ATOM 0 H GLU B 63 13.965 23.303 25.469 1.00 0.00 H new ATOM 0 HA GLU B 63 12.278 24.547 23.506 1.00 0.00 H new ATOM 0 HB2 GLU B 63 10.488 23.793 24.909 1.00 0.00 H new ATOM 0 HB3 GLU B 63 11.695 22.524 24.839 1.00 0.00 H new ATOM 0 HG2 GLU B 63 11.454 22.426 27.079 1.00 0.00 H new ATOM 0 HG3 GLU B 63 12.490 23.839 27.111 1.00 0.00 H new