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 -61:sc= 0.433 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 -140:sc= 0.538 USER MOD Single : B 3 MET CE :methyl -175:sc= -0.0249 (180deg=-0.0793) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 THR OG1 : rot 170:sc= 0.759 USER MOD Single : B 10 LYS NZ :NH3+ 163:sc= 1.08 (180deg=0.875) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot 143:sc= 0.943 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 10.431 11.060 3.183 1.00 0.00 N ATOM 88 CA ALA A 4 9.324 11.170 4.137 1.00 0.00 C ATOM 89 C ALA A 4 8.163 12.055 3.618 1.00 0.00 C ATOM 90 O ALA A 4 8.190 12.553 2.483 1.00 0.00 O ATOM 91 CB ALA A 4 9.919 11.721 5.444 1.00 0.00 C ATOM 0 HA ALA A 4 8.873 10.190 4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.130 11.821 6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.682 11.036 5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.367 12.697 5.257 1.00 0.00 H new ATOM 97 N LYS A 5 7.162 12.296 4.475 1.00 0.00 N ATOM 98 CA LYS A 5 6.101 13.310 4.298 1.00 0.00 C ATOM 99 C LYS A 5 5.864 14.120 5.581 1.00 0.00 C ATOM 100 O LYS A 5 5.910 13.568 6.678 1.00 0.00 O ATOM 101 CB LYS A 5 4.815 12.652 3.764 1.00 0.00 C ATOM 102 CG LYS A 5 4.074 11.800 4.814 1.00 0.00 C ATOM 103 CD LYS A 5 2.914 10.985 4.219 1.00 0.00 C ATOM 104 CE LYS A 5 3.431 9.741 3.478 1.00 0.00 C ATOM 105 NZ LYS A 5 2.315 8.963 2.878 1.00 0.00 N1+ ATOM 0 H LYS A 5 7.061 11.773 5.345 1.00 0.00 H new ATOM 0 HA LYS A 5 6.435 14.030 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.143 13.430 3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.067 12.023 2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.783 11.120 5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.688 12.453 5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.234 10.681 5.015 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.342 11.609 3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.126 10.045 2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.987 9.108 4.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.697 8.131 2.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.665 8.653 3.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.801 9.560 2.200 1.00 0.00 H new ATOM 119 N VAL A 6 5.582 15.411 5.437 1.00 0.00 N ATOM 120 CA VAL A 6 5.186 16.335 6.516 1.00 0.00 C ATOM 121 C VAL A 6 3.663 16.523 6.518 1.00 0.00 C ATOM 122 O VAL A 6 3.045 16.604 5.454 1.00 0.00 O ATOM 123 CB VAL A 6 5.934 17.682 6.369 1.00 0.00 C ATOM 124 CG1 VAL A 6 5.278 18.887 7.057 1.00 0.00 C ATOM 125 CG2 VAL A 6 7.355 17.563 6.927 1.00 0.00 C ATOM 0 H VAL A 6 5.623 15.871 4.527 1.00 0.00 H new ATOM 0 HA VAL A 6 5.467 15.908 7.479 1.00 0.00 H new ATOM 0 HB VAL A 6 5.914 17.875 5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.885 19.777 6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.282 19.045 6.643 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.200 18.697 8.127 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.870 18.517 6.817 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.310 17.294 7.982 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.898 16.793 6.379 1.00 0.00 H new ATOM 135 N VAL A 7 3.066 16.627 7.708 1.00 0.00 N ATOM 136 CA VAL A 7 1.639 16.943 7.913 1.00 0.00 C ATOM 137 C VAL A 7 1.439 17.918 9.081 1.00 0.00 C ATOM 138 O VAL A 7 2.106 17.809 10.114 1.00 0.00 O ATOM 139 CB VAL A 7 0.799 15.654 8.059 1.00 0.00 C ATOM 140 CG1 VAL A 7 1.242 14.762 9.229 1.00 0.00 C ATOM 141 CG2 VAL A 7 -0.699 15.944 8.227 1.00 0.00 C ATOM 0 H VAL A 7 3.571 16.491 8.584 1.00 0.00 H new ATOM 0 HA VAL A 7 1.275 17.456 7.023 1.00 0.00 H new ATOM 0 HB VAL A 7 0.972 15.121 7.124 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.609 13.876 9.271 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.279 14.460 9.084 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.153 15.316 10.163 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.243 15.004 8.325 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.855 16.548 9.121 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.065 16.485 7.355 1.00 0.00 H new ATOM 151 N LEU A 8 0.516 18.871 8.923 1.00 0.00 N ATOM 152 CA LEU A 8 0.193 19.910 9.912 1.00 0.00 C ATOM 153 C LEU A 8 -1.304 20.238 9.950 1.00 0.00 C ATOM 154 O LEU A 8 -2.026 19.998 8.978 1.00 0.00 O ATOM 155 CB LEU A 8 1.028 21.176 9.627 1.00 0.00 C ATOM 156 CG LEU A 8 0.703 21.910 8.310 1.00 0.00 C ATOM 157 CD1 LEU A 8 -0.314 23.048 8.487 1.00 0.00 C ATOM 158 CD2 LEU A 8 1.973 22.524 7.729 1.00 0.00 C ATOM 0 H LEU A 8 -0.047 18.945 8.076 1.00 0.00 H new ATOM 0 HA LEU A 8 0.449 19.522 10.898 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.890 21.873 10.453 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.082 20.899 9.616 1.00 0.00 H new ATOM 0 HG LEU A 8 0.274 21.158 7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.499 23.524 7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.248 22.644 8.878 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.083 23.785 9.185 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.735 23.040 6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.393 23.234 8.441 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.700 21.737 7.531 1.00 0.00 H new ATOM 266 N VAL A 16 -2.757 20.520 6.059 1.00 0.00 N ATOM 267 CA VAL A 16 -1.849 20.586 4.892 1.00 0.00 C ATOM 268 C VAL A 16 -0.856 19.413 4.937 1.00 0.00 C ATOM 269 O VAL A 16 -0.393 19.026 6.012 1.00 0.00 O ATOM 270 CB VAL A 16 -1.111 21.950 4.814 1.00 0.00 C ATOM 271 CG1 VAL A 16 -0.197 22.066 3.585 1.00 0.00 C ATOM 272 CG2 VAL A 16 -2.089 23.135 4.786 1.00 0.00 C ATOM 0 HA VAL A 16 -2.449 20.502 3.986 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.503 21.987 5.718 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.291 23.041 3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.559 21.281 3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.792 21.958 2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.528 24.068 4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.738 23.050 3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.695 23.128 5.692 1.00 0.00 H new ATOM 282 N GLU A 17 -0.538 18.843 3.776 1.00 0.00 N ATOM 283 CA GLU A 17 0.410 17.730 3.602 1.00 0.00 C ATOM 284 C GLU A 17 1.460 18.047 2.525 1.00 0.00 C ATOM 285 O GLU A 17 1.124 18.580 1.462 1.00 0.00 O ATOM 286 CB GLU A 17 -0.331 16.433 3.240 1.00 0.00 C ATOM 287 CG GLU A 17 -1.228 15.915 4.374 1.00 0.00 C ATOM 288 CD GLU A 17 -1.953 14.602 4.007 1.00 0.00 C ATOM 289 OE1 GLU A 17 -2.504 14.489 2.883 1.00 0.00 O ATOM 290 OE2 GLU A 17 -2.007 13.677 4.851 1.00 0.00 O1- ATOM 0 H GLU A 17 -0.946 19.151 2.893 1.00 0.00 H new ATOM 0 HA GLU A 17 0.925 17.592 4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.940 16.605 2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.398 15.665 2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.623 15.754 5.266 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.967 16.676 4.624 1.00 0.00 H new ATOM 297 N ILE A 18 2.726 17.708 2.789 1.00 0.00 N ATOM 298 CA ILE A 18 3.887 17.944 1.910 1.00 0.00 C ATOM 299 C ILE A 18 4.698 16.644 1.824 1.00 0.00 C ATOM 300 O ILE A 18 5.441 16.291 2.743 1.00 0.00 O ATOM 301 CB ILE A 18 4.730 19.138 2.428 1.00 0.00 C ATOM 302 CG1 ILE A 18 3.948 20.470 2.356 1.00 0.00 C ATOM 303 CG2 ILE A 18 6.049 19.292 1.649 1.00 0.00 C ATOM 304 CD1 ILE A 18 4.481 21.527 3.326 1.00 0.00 C ATOM 0 H ILE A 18 2.986 17.241 3.658 1.00 0.00 H new ATOM 0 HA ILE A 18 3.560 18.216 0.907 1.00 0.00 H new ATOM 0 HB ILE A 18 4.956 18.913 3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.997 20.860 1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.897 20.281 2.575 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.608 20.140 2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.643 18.384 1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.831 19.461 0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.892 22.439 3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.407 21.154 4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.524 21.742 3.093 1.00 0.00 H new ATOM 316 N GLY A 19 4.558 15.916 0.712 1.00 0.00 N ATOM 317 CA GLY A 19 5.422 14.782 0.365 1.00 0.00 C ATOM 318 C GLY A 19 6.760 15.230 -0.239 1.00 0.00 C ATOM 319 O GLY A 19 6.987 16.421 -0.459 1.00 0.00 O ATOM 0 H GLY A 19 3.833 16.099 0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.611 14.186 1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.904 14.137 -0.345 1.00 0.00 H new ATOM 323 N ASP A 20 7.644 14.268 -0.535 1.00 0.00 N ATOM 324 CA ASP A 20 8.906 14.492 -1.267 1.00 0.00 C ATOM 325 C ASP A 20 9.870 15.501 -0.586 1.00 0.00 C ATOM 326 O ASP A 20 10.648 16.205 -1.239 1.00 0.00 O ATOM 327 CB ASP A 20 8.605 14.807 -2.747 1.00 0.00 C ATOM 328 CG ASP A 20 7.731 13.747 -3.447 1.00 0.00 C ATOM 329 OD1 ASP A 20 6.975 14.123 -4.373 1.00 0.00 O ATOM 330 OD2 ASP A 20 7.802 12.540 -3.108 1.00 0.00 O1- ATOM 0 H ASP A 20 7.503 13.293 -0.269 1.00 0.00 H new ATOM 0 HA ASP A 20 9.474 13.562 -1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.105 15.774 -2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.547 14.901 -3.287 1.00 0.00 H new ATOM 335 N VAL A 21 9.787 15.575 0.748 1.00 0.00 N ATOM 336 CA VAL A 21 10.556 16.491 1.607 1.00 0.00 C ATOM 337 C VAL A 21 11.989 16.007 1.858 1.00 0.00 C ATOM 338 O VAL A 21 12.228 14.840 2.168 1.00 0.00 O ATOM 339 CB VAL A 21 9.789 16.782 2.914 1.00 0.00 C ATOM 340 CG1 VAL A 21 9.465 15.539 3.750 1.00 0.00 C ATOM 341 CG2 VAL A 21 10.508 17.787 3.819 1.00 0.00 C ATOM 0 H VAL A 21 9.158 14.976 1.282 1.00 0.00 H new ATOM 0 HA VAL A 21 10.662 17.433 1.070 1.00 0.00 H new ATOM 0 HB VAL A 21 8.852 17.208 2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.926 15.836 4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.847 14.858 3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.391 15.038 4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.919 17.950 4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.488 17.395 4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.629 18.732 3.289 1.00 0.00 H new ATOM 351 N LEU A 22 12.956 16.919 1.725 1.00 0.00 N ATOM 352 CA LEU A 22 14.375 16.707 2.038 1.00 0.00 C ATOM 353 C LEU A 22 14.771 17.235 3.427 1.00 0.00 C ATOM 354 O LEU A 22 15.653 16.659 4.058 1.00 0.00 O ATOM 355 CB LEU A 22 15.247 17.375 0.954 1.00 0.00 C ATOM 356 CG LEU A 22 15.129 16.788 -0.465 1.00 0.00 C ATOM 357 CD1 LEU A 22 16.076 17.537 -1.402 1.00 0.00 C ATOM 358 CD2 LEU A 22 15.501 15.308 -0.528 1.00 0.00 C ATOM 0 H LEU A 22 12.767 17.861 1.384 1.00 0.00 H new ATOM 0 HA LEU A 22 14.543 15.630 2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 22 14.990 18.433 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 22 16.290 17.313 1.266 1.00 0.00 H new ATOM 0 HG LEU A 22 14.086 16.897 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 22 15.995 17.124 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.809 18.594 -1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.101 17.428 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.399 14.950 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.532 15.178 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.838 14.738 0.123 1.00 0.00 H new ATOM 370 N GLU A 23 14.149 18.314 3.916 1.00 0.00 N ATOM 371 CA GLU A 23 14.523 18.947 5.188 1.00 0.00 C ATOM 372 C GLU A 23 13.368 19.740 5.816 1.00 0.00 C ATOM 373 O GLU A 23 12.546 20.334 5.106 1.00 0.00 O ATOM 374 CB GLU A 23 15.774 19.826 4.984 1.00 0.00 C ATOM 375 CG GLU A 23 16.301 20.437 6.300 1.00 0.00 C ATOM 376 CD GLU A 23 17.772 20.871 6.235 1.00 0.00 C ATOM 377 OE1 GLU A 23 18.135 21.857 6.921 1.00 0.00 O ATOM 378 OE2 GLU A 23 18.618 20.176 5.625 1.00 0.00 O1- ATOM 0 H GLU A 23 13.372 18.774 3.442 1.00 0.00 H new ATOM 0 HA GLU A 23 14.759 18.156 5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.562 19.227 4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.538 20.629 4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.688 21.300 6.560 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.182 19.708 7.102 1.00 0.00 H new ATOM 385 N VAL A 24 13.314 19.765 7.151 1.00 0.00 N ATOM 386 CA VAL A 24 12.301 20.458 7.966 1.00 0.00 C ATOM 387 C VAL A 24 12.983 21.173 9.138 1.00 0.00 C ATOM 388 O VAL A 24 13.890 20.605 9.752 1.00 0.00 O ATOM 389 CB VAL A 24 11.237 19.480 8.511 1.00 0.00 C ATOM 390 CG1 VAL A 24 9.950 20.213 8.905 1.00 0.00 C ATOM 391 CG2 VAL A 24 10.855 18.361 7.537 1.00 0.00 C ATOM 0 H VAL A 24 14.006 19.281 7.723 1.00 0.00 H new ATOM 0 HA VAL A 24 11.797 21.182 7.325 1.00 0.00 H new ATOM 0 HB VAL A 24 11.713 19.027 9.381 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.223 19.494 9.284 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.172 20.947 9.679 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.538 20.719 8.032 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.103 17.719 7.997 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.451 18.796 6.623 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.739 17.770 7.297 1.00 0.00 H new ATOM 401 N ARG A 25 12.553 22.397 9.482 1.00 0.00 N ATOM 402 CA ARG A 25 13.107 23.193 10.602 1.00 0.00 C ATOM 403 C ARG A 25 12.028 23.936 11.383 1.00 0.00 C ATOM 404 O ARG A 25 11.196 24.588 10.764 1.00 0.00 O ATOM 405 CB ARG A 25 14.122 24.231 10.083 1.00 0.00 C ATOM 406 CG ARG A 25 15.355 23.631 9.391 1.00 0.00 C ATOM 407 CD ARG A 25 16.340 24.748 9.049 1.00 0.00 C ATOM 408 NE ARG A 25 17.479 24.252 8.257 1.00 0.00 N ATOM 409 CZ ARG A 25 18.573 24.912 7.932 1.00 0.00 C ATOM 410 NH1 ARG A 25 18.807 26.135 8.327 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 19.450 24.328 7.173 1.00 0.00 N ATOM 0 H ARG A 25 11.800 22.874 8.986 1.00 0.00 H new ATOM 0 HA ARG A 25 13.592 22.479 11.267 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.616 24.895 9.382 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.454 24.844 10.920 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.831 22.899 10.043 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.057 23.104 8.485 1.00 0.00 H new ATOM 0 HD2 ARG A 25 15.823 25.530 8.492 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.708 25.202 9.969 1.00 0.00 H new ATOM 0 HE ARG A 25 17.414 23.291 7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.128 26.620 8.913 1.00 0.00 H new ATOM 0 HH12 ARG A 25 19.669 26.605 8.049 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.285 23.378 6.841 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.304 24.820 6.909 1.00 0.00 H new ATOM 425 N ALA A 26 12.090 23.909 12.710 1.00 0.00 N ATOM 426 CA ALA A 26 11.381 24.830 13.602 1.00 0.00 C ATOM 427 C ALA A 26 12.334 25.971 14.012 1.00 0.00 C ATOM 428 O ALA A 26 13.344 25.736 14.687 1.00 0.00 O ATOM 429 CB ALA A 26 10.863 24.038 14.811 1.00 0.00 C ATOM 0 H ALA A 26 12.653 23.224 13.215 1.00 0.00 H new ATOM 0 HA ALA A 26 10.524 25.283 13.104 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.332 24.710 15.486 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.185 23.256 14.470 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.704 23.586 15.337 1.00 0.00 H new ATOM 464 N ALA A 30 8.239 29.805 13.562 1.00 0.00 N ATOM 465 CA ALA A 30 7.598 29.150 12.416 1.00 0.00 C ATOM 466 C ALA A 30 8.262 27.797 12.096 1.00 0.00 C ATOM 467 O ALA A 30 9.444 27.600 12.384 1.00 0.00 O ATOM 468 CB ALA A 30 7.667 30.100 11.217 1.00 0.00 C ATOM 0 HA ALA A 30 6.557 28.935 12.655 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.195 29.631 10.354 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.146 31.027 11.457 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.709 30.319 10.986 1.00 0.00 H new ATOM 474 N VAL A 31 7.527 26.888 11.448 1.00 0.00 N ATOM 475 CA VAL A 31 8.124 25.703 10.792 1.00 0.00 C ATOM 476 C VAL A 31 8.288 25.943 9.289 1.00 0.00 C ATOM 477 O VAL A 31 7.404 26.506 8.644 1.00 0.00 O ATOM 478 CB VAL A 31 7.368 24.393 11.093 1.00 0.00 C ATOM 479 CG1 VAL A 31 7.973 23.193 10.352 1.00 0.00 C ATOM 480 CG2 VAL A 31 7.459 24.064 12.584 1.00 0.00 C ATOM 0 H VAL A 31 6.512 26.944 11.359 1.00 0.00 H new ATOM 0 HA VAL A 31 9.115 25.567 11.225 1.00 0.00 H new ATOM 0 HB VAL A 31 6.340 24.554 10.770 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.408 22.293 10.595 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.930 23.370 9.277 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.011 23.063 10.657 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.922 23.137 12.786 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.505 23.946 12.867 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.015 24.874 13.163 1.00 0.00 H new ATOM 490 N ARG A 32 9.420 25.503 8.733 1.00 0.00 N ATOM 491 CA ARG A 32 9.754 25.554 7.305 1.00 0.00 C ATOM 492 C ARG A 32 10.075 24.166 6.763 1.00 0.00 C ATOM 493 O ARG A 32 10.552 23.304 7.504 1.00 0.00 O ATOM 494 CB ARG A 32 10.903 26.542 7.053 1.00 0.00 C ATOM 495 CG ARG A 32 10.496 27.980 7.392 1.00 0.00 C ATOM 496 CD ARG A 32 11.679 28.950 7.263 1.00 0.00 C ATOM 497 NE ARG A 32 11.365 30.266 7.861 1.00 0.00 N ATOM 498 CZ ARG A 32 11.301 30.549 9.153 1.00 0.00 C ATOM 499 NH1 ARG A 32 11.520 29.643 10.062 1.00 0.00 N1+ ATOM 500 NH2 ARG A 32 11.003 31.742 9.569 1.00 0.00 N ATOM 0 H ARG A 32 10.163 25.082 9.291 1.00 0.00 H new ATOM 0 HA ARG A 32 8.880 25.915 6.763 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.767 26.257 7.653 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.209 26.487 6.008 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.692 28.297 6.728 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.104 28.017 8.408 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.555 28.525 7.753 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.934 29.078 6.211 1.00 0.00 H new ATOM 0 HE ARG A 32 11.179 31.032 7.214 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.747 28.688 9.786 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.464 29.888 11.050 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.812 32.484 8.896 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.959 31.937 10.569 1.00 0.00 H new ATOM 514 N VAL A 33 9.805 23.962 5.473 1.00 0.00 N ATOM 515 CA VAL A 33 9.893 22.663 4.783 1.00 0.00 C ATOM 516 C VAL A 33 10.522 22.846 3.401 1.00 0.00 C ATOM 517 O VAL A 33 10.143 23.768 2.678 1.00 0.00 O ATOM 518 CB VAL A 33 8.504 21.996 4.625 1.00 0.00 C ATOM 519 CG1 VAL A 33 8.638 20.483 4.507 1.00 0.00 C ATOM 520 CG2 VAL A 33 7.507 22.299 5.752 1.00 0.00 C ATOM 0 H VAL A 33 9.509 24.717 4.855 1.00 0.00 H new ATOM 0 HA VAL A 33 10.515 22.012 5.396 1.00 0.00 H new ATOM 0 HB VAL A 33 8.101 22.435 3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.649 20.038 4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.245 20.238 3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.116 20.089 5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.565 21.788 5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.914 21.951 6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.333 23.374 5.804 1.00 0.00 H new ATOM 530 N THR A 34 11.459 21.979 3.014 1.00 0.00 N ATOM 531 CA THR A 34 12.163 22.029 1.713 1.00 0.00 C ATOM 532 C THR A 34 12.001 20.718 0.948 1.00 0.00 C ATOM 533 O THR A 34 12.320 19.653 1.479 1.00 0.00 O ATOM 534 CB THR A 34 13.657 22.351 1.895 1.00 0.00 C ATOM 535 OG1 THR A 34 13.823 23.579 2.577 1.00 0.00 O ATOM 536 CG2 THR A 34 14.398 22.481 0.558 1.00 0.00 C ATOM 0 H THR A 34 11.763 21.203 3.602 1.00 0.00 H new ATOM 0 HA THR A 34 11.707 22.830 1.131 1.00 0.00 H new ATOM 0 HB THR A 34 14.072 21.518 2.463 1.00 0.00 H new ATOM 0 HG1 THR A 34 14.779 23.767 2.685 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.448 22.708 0.744 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.322 21.543 0.007 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.951 23.284 -0.029 1.00 0.00 H new ATOM 544 N THR A 35 11.522 20.777 -0.297 1.00 0.00 N ATOM 545 CA THR A 35 11.273 19.601 -1.153 1.00 0.00 C ATOM 546 C THR A 35 12.407 19.334 -2.152 1.00 0.00 C ATOM 547 O THR A 35 13.242 20.201 -2.420 1.00 0.00 O ATOM 548 CB THR A 35 9.947 19.736 -1.922 1.00 0.00 C ATOM 549 OG1 THR A 35 10.024 20.773 -2.874 1.00 0.00 O ATOM 550 CG2 THR A 35 8.744 19.996 -1.016 1.00 0.00 C ATOM 0 H THR A 35 11.290 21.659 -0.753 1.00 0.00 H new ATOM 0 HA THR A 35 11.218 18.752 -0.471 1.00 0.00 H new ATOM 0 HB THR A 35 9.795 18.775 -2.413 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.196 21.623 -2.418 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.843 20.081 -1.623 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.632 19.170 -0.314 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.898 20.923 -0.464 1.00 0.00 H new ATOM 558 N LEU A 36 12.418 18.141 -2.763 1.00 0.00 N ATOM 559 CA LEU A 36 13.359 17.782 -3.840 1.00 0.00 C ATOM 560 C LEU A 36 13.172 18.589 -5.140 1.00 0.00 C ATOM 561 O LEU A 36 14.068 18.608 -5.990 1.00 0.00 O ATOM 562 CB LEU A 36 13.327 16.257 -4.072 1.00 0.00 C ATOM 563 CG LEU A 36 12.046 15.668 -4.702 1.00 0.00 C ATOM 564 CD1 LEU A 36 12.004 15.754 -6.229 1.00 0.00 C ATOM 565 CD2 LEU A 36 11.959 14.181 -4.354 1.00 0.00 C ATOM 0 H LEU A 36 11.770 17.390 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 36 14.356 18.065 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.170 15.994 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.489 15.765 -3.113 1.00 0.00 H new ATOM 0 HG LEU A 36 11.222 16.259 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.073 15.319 -6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.061 16.798 -6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.848 15.206 -6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.057 13.756 -4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.834 13.663 -4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.924 14.062 -3.271 1.00 0.00 H new ATOM 577 N PHE A 37 12.042 19.295 -5.283 1.00 0.00 N ATOM 578 CA PHE A 37 11.775 20.215 -6.394 1.00 0.00 C ATOM 579 C PHE A 37 12.476 21.583 -6.228 1.00 0.00 C ATOM 580 O PHE A 37 12.295 22.476 -7.061 1.00 0.00 O ATOM 581 CB PHE A 37 10.250 20.388 -6.535 1.00 0.00 C ATOM 582 CG PHE A 37 9.475 19.086 -6.597 1.00 0.00 C ATOM 583 CD1 PHE A 37 8.669 18.687 -5.514 1.00 0.00 C ATOM 584 CD2 PHE A 37 9.572 18.262 -7.736 1.00 0.00 C ATOM 585 CE1 PHE A 37 7.977 17.464 -5.565 1.00 0.00 C ATOM 586 CE2 PHE A 37 8.877 17.042 -7.785 1.00 0.00 C ATOM 587 CZ PHE A 37 8.076 16.643 -6.701 1.00 0.00 C ATOM 0 H PHE A 37 11.273 19.240 -4.615 1.00 0.00 H new ATOM 0 HA PHE A 37 12.191 19.780 -7.303 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.884 20.975 -5.693 1.00 0.00 H new ATOM 0 HB3 PHE A 37 10.044 20.963 -7.438 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.582 19.320 -4.644 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.182 18.569 -8.573 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.368 17.155 -4.729 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.958 16.410 -8.657 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.538 15.707 -6.741 1.00 0.00 H new ATOM 597 N ASP A 38 13.236 21.776 -5.141 1.00 0.00 N ATOM 598 CA ASP A 38 13.779 23.056 -4.653 1.00 0.00 C ATOM 599 C ASP A 38 12.699 24.094 -4.263 1.00 0.00 C ATOM 600 O ASP A 38 13.009 25.260 -4.001 1.00 0.00 O ATOM 601 CB ASP A 38 14.862 23.633 -5.597 1.00 0.00 C ATOM 602 CG ASP A 38 15.984 22.645 -5.966 1.00 0.00 C ATOM 603 OD1 ASP A 38 16.504 22.729 -7.108 1.00 0.00 O ATOM 604 OD2 ASP A 38 16.398 21.811 -5.120 1.00 0.00 O1- ATOM 0 H ASP A 38 13.506 20.997 -4.541 1.00 0.00 H new ATOM 0 HA ASP A 38 14.279 22.818 -3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.381 23.975 -6.514 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.308 24.509 -5.125 1.00 0.00 H new ATOM 609 N GLU A 39 11.430 23.672 -4.182 1.00 0.00 N ATOM 610 CA GLU A 39 10.327 24.463 -3.639 1.00 0.00 C ATOM 611 C GLU A 39 10.329 24.425 -2.096 1.00 0.00 C ATOM 612 O GLU A 39 10.608 23.387 -1.483 1.00 0.00 O ATOM 613 CB GLU A 39 8.988 23.982 -4.231 1.00 0.00 C ATOM 614 CG GLU A 39 7.721 24.686 -3.726 1.00 0.00 C ATOM 615 CD GLU A 39 7.605 26.161 -4.168 1.00 0.00 C ATOM 616 OE1 GLU A 39 8.513 26.977 -3.879 1.00 0.00 O ATOM 617 OE2 GLU A 39 6.589 26.517 -4.813 1.00 0.00 O1- ATOM 0 H GLU A 39 11.139 22.748 -4.501 1.00 0.00 H new ATOM 0 HA GLU A 39 10.461 25.505 -3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.033 24.097 -5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.889 22.916 -4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.848 24.140 -4.083 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.702 24.641 -2.637 1.00 0.00 H new ATOM 624 N GLU A 40 10.013 25.560 -1.472 1.00 0.00 N ATOM 625 CA GLU A 40 10.007 25.758 -0.020 1.00 0.00 C ATOM 626 C GLU A 40 8.635 26.218 0.499 1.00 0.00 C ATOM 627 O GLU A 40 7.900 26.944 -0.178 1.00 0.00 O ATOM 628 CB GLU A 40 11.095 26.768 0.392 1.00 0.00 C ATOM 629 CG GLU A 40 12.520 26.275 0.101 1.00 0.00 C ATOM 630 CD GLU A 40 13.605 27.334 0.420 1.00 0.00 C ATOM 631 OE1 GLU A 40 14.733 27.225 -0.122 1.00 0.00 O ATOM 632 OE2 GLU A 40 13.359 28.285 1.208 1.00 0.00 O1- ATOM 0 H GLU A 40 9.743 26.400 -1.983 1.00 0.00 H new ATOM 0 HA GLU A 40 10.222 24.791 0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.928 27.707 -0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.001 26.979 1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.714 25.376 0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.593 25.993 -0.949 1.00 0.00 H new ATOM 639 N HIS A 41 8.317 25.826 1.735 1.00 0.00 N ATOM 640 CA HIS A 41 7.067 26.128 2.442 1.00 0.00 C ATOM 641 C HIS A 41 7.350 26.681 3.846 1.00 0.00 C ATOM 642 O HIS A 41 8.384 26.349 4.436 1.00 0.00 O ATOM 643 CB HIS A 41 6.194 24.863 2.511 1.00 0.00 C ATOM 644 CG HIS A 41 6.001 24.150 1.188 1.00 0.00 C ATOM 645 ND1 HIS A 41 5.059 24.492 0.207 1.00 0.00 N ATOM 646 CD2 HIS A 41 6.765 23.116 0.725 1.00 0.00 C ATOM 647 CE1 HIS A 41 5.279 23.651 -0.820 1.00 0.00 C ATOM 648 NE2 HIS A 41 6.289 22.814 -0.531 1.00 0.00 N ATOM 0 H HIS A 41 8.954 25.262 2.298 1.00 0.00 H new ATOM 0 HA HIS A 41 6.527 26.898 1.891 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.643 24.167 3.220 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.216 25.135 2.907 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.580 22.632 1.242 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.722 23.649 -1.746 1.00 0.00 H new ATOM 0 HE2 HIS A 41 6.644 22.077 -1.141 1.00 0.00 H new ATOM 656 N ALA A 42 6.444 27.495 4.393 1.00 0.00 N ATOM 657 CA ALA A 42 6.603 28.151 5.691 1.00 0.00 C ATOM 658 C ALA A 42 5.258 28.358 6.409 1.00 0.00 C ATOM 659 O ALA A 42 4.264 28.752 5.792 1.00 0.00 O ATOM 660 CB ALA A 42 7.336 29.487 5.496 1.00 0.00 C ATOM 0 H ALA A 42 5.561 27.721 3.935 1.00 0.00 H new ATOM 0 HA ALA A 42 7.196 27.499 6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.457 29.980 6.461 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.317 29.303 5.057 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.755 30.127 4.832 1.00 0.00 H new ATOM 666 N PHE A 43 5.241 28.114 7.725 1.00 0.00 N ATOM 667 CA PHE A 43 4.036 28.052 8.558 1.00 0.00 C ATOM 668 C PHE A 43 4.288 28.649 9.962 1.00 0.00 C ATOM 669 O PHE A 43 4.811 27.958 10.844 1.00 0.00 O ATOM 670 CB PHE A 43 3.565 26.593 8.648 1.00 0.00 C ATOM 671 CG PHE A 43 3.274 25.931 7.314 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.238 25.101 6.713 1.00 0.00 C ATOM 673 CD2 PHE A 43 2.058 26.189 6.660 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.983 24.529 5.455 1.00 0.00 C ATOM 675 CE2 PHE A 43 1.801 25.612 5.394 1.00 0.00 C ATOM 676 CZ PHE A 43 2.768 24.787 4.793 1.00 0.00 C ATOM 0 H PHE A 43 6.096 27.949 8.257 1.00 0.00 H new ATOM 0 HA PHE A 43 3.253 28.654 8.098 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.328 26.012 9.167 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.664 26.555 9.260 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.172 24.904 7.218 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.320 26.827 7.123 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.722 23.889 4.995 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.865 25.805 4.891 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.578 24.351 3.823 1.00 0.00 H new ATOM 686 N PRO A 44 3.928 29.924 10.194 1.00 0.00 N ATOM 687 CA PRO A 44 4.024 30.572 11.505 1.00 0.00 C ATOM 688 C PRO A 44 3.169 29.914 12.596 1.00 0.00 C ATOM 689 O PRO A 44 2.089 29.379 12.335 1.00 0.00 O ATOM 690 CB PRO A 44 3.618 32.031 11.281 1.00 0.00 C ATOM 691 CG PRO A 44 3.926 32.257 9.804 1.00 0.00 C ATOM 692 CD PRO A 44 3.560 30.907 9.190 1.00 0.00 C ATOM 0 HA PRO A 44 5.042 30.478 11.883 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.563 32.194 11.502 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.185 32.709 11.919 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.334 33.070 9.384 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.974 32.509 9.640 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.496 30.855 8.958 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.098 30.739 8.257 1.00 0.00 H new ATOM 700 N GLY A 45 3.650 29.975 13.843 1.00 0.00 N ATOM 701 CA GLY A 45 2.961 29.469 15.036 1.00 0.00 C ATOM 702 C GLY A 45 3.082 27.955 15.266 1.00 0.00 C ATOM 703 O GLY A 45 2.486 27.434 16.214 1.00 0.00 O ATOM 0 H GLY A 45 4.557 30.390 14.056 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.355 29.986 15.911 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.904 29.726 14.963 1.00 0.00 H new ATOM 707 N LEU A 46 3.844 27.239 14.436 1.00 0.00 N ATOM 708 CA LEU A 46 4.097 25.799 14.573 1.00 0.00 C ATOM 709 C LEU A 46 5.473 25.480 15.199 1.00 0.00 C ATOM 710 O LEU A 46 6.391 26.303 15.192 1.00 0.00 O ATOM 711 CB LEU A 46 3.949 25.100 13.205 1.00 0.00 C ATOM 712 CG LEU A 46 2.590 25.251 12.504 1.00 0.00 C ATOM 713 CD1 LEU A 46 2.578 24.356 11.264 1.00 0.00 C ATOM 714 CD2 LEU A 46 1.399 24.829 13.375 1.00 0.00 C ATOM 0 H LEU A 46 4.314 27.652 13.631 1.00 0.00 H new ATOM 0 HA LEU A 46 3.348 25.412 15.264 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.721 25.485 12.539 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.147 24.037 13.341 1.00 0.00 H new ATOM 0 HG LEU A 46 2.479 26.310 12.269 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.619 24.452 10.755 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.379 24.658 10.589 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.728 23.318 11.563 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.473 24.963 12.815 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.506 23.781 13.655 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.371 25.443 14.275 1.00 0.00 H new ATOM 726 N ALA A 47 5.602 24.240 15.665 1.00 0.00 N ATOM 727 CA ALA A 47 6.836 23.524 15.973 1.00 0.00 C ATOM 728 C ALA A 47 6.727 22.062 15.492 1.00 0.00 C ATOM 729 O ALA A 47 5.619 21.550 15.289 1.00 0.00 O ATOM 730 CB ALA A 47 7.104 23.621 17.479 1.00 0.00 C ATOM 0 H ALA A 47 4.780 23.665 15.852 1.00 0.00 H new ATOM 0 HA ALA A 47 7.680 23.972 15.449 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.024 23.089 17.720 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.205 24.668 17.764 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.273 23.175 18.026 1.00 0.00 H new ATOM 736 N ILE A 48 7.851 21.365 15.300 1.00 0.00 N ATOM 737 CA ILE A 48 7.842 19.945 14.909 1.00 0.00 C ATOM 738 C ILE A 48 7.415 19.090 16.119 1.00 0.00 C ATOM 739 O ILE A 48 7.996 19.197 17.204 1.00 0.00 O ATOM 740 CB ILE A 48 9.195 19.507 14.301 1.00 0.00 C ATOM 741 CG1 ILE A 48 9.538 20.339 13.040 1.00 0.00 C ATOM 742 CG2 ILE A 48 9.172 18.007 13.957 1.00 0.00 C ATOM 743 CD1 ILE A 48 10.975 20.152 12.534 1.00 0.00 C ATOM 0 H ILE A 48 8.785 21.760 15.409 1.00 0.00 H new ATOM 0 HA ILE A 48 7.112 19.792 14.114 1.00 0.00 H new ATOM 0 HB ILE A 48 9.969 19.686 15.047 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.846 20.070 12.242 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.377 21.394 13.260 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.132 17.717 13.530 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.988 17.429 14.862 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.380 17.812 13.234 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.132 20.769 11.649 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.677 20.449 13.313 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.138 19.105 12.280 1.00 0.00 H new ATOM 755 N GLY A 49 6.377 18.270 15.941 1.00 0.00 N ATOM 756 CA GLY A 49 5.737 17.478 16.994 1.00 0.00 C ATOM 757 C GLY A 49 6.167 16.012 17.047 1.00 0.00 C ATOM 758 O GLY A 49 6.311 15.472 18.145 1.00 0.00 O ATOM 0 H GLY A 49 5.944 18.134 15.028 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.952 17.940 17.958 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.657 17.520 16.855 1.00 0.00 H new ATOM 762 N ARG A 50 6.405 15.369 15.898 1.00 0.00 N ATOM 763 CA ARG A 50 6.882 13.975 15.806 1.00 0.00 C ATOM 764 C ARG A 50 7.778 13.727 14.594 1.00 0.00 C ATOM 765 O ARG A 50 7.640 14.390 13.564 1.00 0.00 O ATOM 766 CB ARG A 50 5.726 12.960 15.718 1.00 0.00 C ATOM 767 CG ARG A 50 4.601 13.075 16.759 1.00 0.00 C ATOM 768 CD ARG A 50 3.650 11.866 16.682 1.00 0.00 C ATOM 769 NE ARG A 50 3.128 11.663 15.313 1.00 0.00 N ATOM 770 CZ ARG A 50 3.146 10.557 14.594 1.00 0.00 C ATOM 771 NH1 ARG A 50 3.514 9.398 15.057 1.00 0.00 N1+ ATOM 772 NH2 ARG A 50 2.785 10.602 13.345 1.00 0.00 N ATOM 0 H ARG A 50 6.270 15.807 14.987 1.00 0.00 H new ATOM 0 HA ARG A 50 7.450 13.831 16.725 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.278 13.045 14.728 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.151 11.959 15.791 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.031 13.140 17.758 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.040 13.994 16.593 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.176 10.968 17.007 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.818 12.014 17.370 1.00 0.00 H new ATOM 0 HE ARG A 50 2.702 12.478 14.871 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.811 9.308 16.029 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.505 8.580 14.448 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.492 11.487 12.930 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.795 9.753 12.780 1.00 0.00 H new ATOM 786 N VAL A 51 8.582 12.669 14.685 1.00 0.00 N ATOM 787 CA VAL A 51 9.207 11.975 13.550 1.00 0.00 C ATOM 788 C VAL A 51 8.972 10.475 13.721 1.00 0.00 C ATOM 789 O VAL A 51 9.348 9.902 14.742 1.00 0.00 O ATOM 790 CB VAL A 51 10.714 12.283 13.435 1.00 0.00 C ATOM 791 CG1 VAL A 51 11.276 11.704 12.131 1.00 0.00 C ATOM 792 CG2 VAL A 51 11.014 13.777 13.466 1.00 0.00 C ATOM 0 H VAL A 51 8.828 12.253 15.583 1.00 0.00 H new ATOM 0 HA VAL A 51 8.752 12.329 12.625 1.00 0.00 H new ATOM 0 HB VAL A 51 11.188 11.821 14.301 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.340 11.928 12.062 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.132 10.624 12.121 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.756 12.148 11.282 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.089 13.934 13.382 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.509 14.267 12.633 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.658 14.200 14.405 1.00 0.00 H new ATOM 802 N ASP A 52 8.309 9.842 12.756 1.00 0.00 N ATOM 803 CA ASP A 52 7.743 8.492 12.886 1.00 0.00 C ATOM 804 C ASP A 52 8.295 7.555 11.800 1.00 0.00 C ATOM 805 O ASP A 52 7.718 7.375 10.725 1.00 0.00 O ATOM 806 CB ASP A 52 6.212 8.630 12.872 1.00 0.00 C ATOM 807 CG ASP A 52 5.457 7.354 13.256 1.00 0.00 C ATOM 808 OD1 ASP A 52 4.204 7.398 13.257 1.00 0.00 O ATOM 809 OD2 ASP A 52 6.097 6.334 13.608 1.00 0.00 O1- ATOM 0 H ASP A 52 8.144 10.259 11.840 1.00 0.00 H new ATOM 0 HA ASP A 52 8.037 8.026 13.826 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.925 9.427 13.558 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.896 8.938 11.875 1.00 0.00 H new ATOM 814 N LEU A 53 9.463 6.971 12.071 1.00 0.00 N ATOM 815 CA LEU A 53 10.268 6.185 11.128 1.00 0.00 C ATOM 816 C LEU A 53 9.629 4.826 10.784 1.00 0.00 C ATOM 817 O LEU A 53 10.006 4.208 9.786 1.00 0.00 O ATOM 818 CB LEU A 53 11.691 5.993 11.696 1.00 0.00 C ATOM 819 CG LEU A 53 12.528 7.246 12.041 1.00 0.00 C ATOM 820 CD1 LEU A 53 12.538 8.262 10.892 1.00 0.00 C ATOM 821 CD2 LEU A 53 12.106 7.971 13.326 1.00 0.00 C ATOM 0 H LEU A 53 9.895 7.034 12.993 1.00 0.00 H new ATOM 0 HA LEU A 53 10.317 6.744 10.194 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.607 5.392 12.601 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.258 5.405 10.975 1.00 0.00 H new ATOM 0 HG LEU A 53 13.528 6.846 12.208 1.00 0.00 H new ATOM 0 HD11 LEU A 53 13.137 9.127 11.176 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.966 7.801 10.002 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.518 8.582 10.680 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.750 8.836 13.484 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.071 8.301 13.234 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.196 7.291 14.173 1.00 0.00 H new ATOM 833 N ARG A 54 8.618 4.395 11.551 1.00 0.00 N ATOM 834 CA ARG A 54 7.745 3.235 11.271 1.00 0.00 C ATOM 835 C ARG A 54 6.935 3.398 9.978 1.00 0.00 C ATOM 836 O ARG A 54 6.543 2.394 9.379 1.00 0.00 O ATOM 837 CB ARG A 54 6.778 3.065 12.452 1.00 0.00 C ATOM 838 CG ARG A 54 7.467 2.694 13.780 1.00 0.00 C ATOM 839 CD ARG A 54 6.659 3.150 15.006 1.00 0.00 C ATOM 840 NE ARG A 54 5.289 2.590 15.031 1.00 0.00 N ATOM 841 CZ ARG A 54 4.162 3.224 14.751 1.00 0.00 C ATOM 842 NH1 ARG A 54 4.122 4.464 14.347 1.00 0.00 N1+ ATOM 843 NH2 ARG A 54 3.022 2.599 14.850 1.00 0.00 N ATOM 0 H ARG A 54 8.371 4.863 12.423 1.00 0.00 H new ATOM 0 HA ARG A 54 8.381 2.360 11.141 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.223 3.993 12.590 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.051 2.292 12.204 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.610 1.614 13.823 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.458 3.148 13.812 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.185 2.852 15.913 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.602 4.238 15.013 1.00 0.00 H new ATOM 0 HE ARG A 54 5.205 1.608 15.293 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.988 4.992 14.234 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.225 4.906 14.144 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.000 1.622 15.143 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.153 3.087 14.634 1.00 0.00 H new ATOM 857 N SER A 55 6.680 4.641 9.550 1.00 0.00 N ATOM 858 CA SER A 55 5.850 4.980 8.373 1.00 0.00 C ATOM 859 C SER A 55 6.413 6.111 7.488 1.00 0.00 C ATOM 860 O SER A 55 5.894 6.340 6.396 1.00 0.00 O ATOM 861 CB SER A 55 4.429 5.334 8.838 1.00 0.00 C ATOM 862 OG SER A 55 4.430 6.477 9.682 1.00 0.00 O ATOM 0 H SER A 55 7.053 5.465 10.021 1.00 0.00 H new ATOM 0 HA SER A 55 5.849 4.093 7.740 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.796 5.521 7.970 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.997 4.487 9.371 1.00 0.00 H new ATOM 0 HG SER A 55 3.512 6.679 9.960 1.00 0.00 H new ATOM 868 N GLY A 56 7.472 6.808 7.924 1.00 0.00 N ATOM 869 CA GLY A 56 8.072 7.935 7.201 1.00 0.00 C ATOM 870 C GLY A 56 7.253 9.233 7.298 1.00 0.00 C ATOM 871 O GLY A 56 7.229 10.018 6.348 1.00 0.00 O ATOM 0 H GLY A 56 7.943 6.600 8.805 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.073 8.116 7.593 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.185 7.664 6.151 1.00 0.00 H new ATOM 875 N VAL A 57 6.562 9.455 8.422 1.00 0.00 N ATOM 876 CA VAL A 57 5.703 10.631 8.661 1.00 0.00 C ATOM 877 C VAL A 57 6.346 11.597 9.662 1.00 0.00 C ATOM 878 O VAL A 57 6.911 11.181 10.672 1.00 0.00 O ATOM 879 CB VAL A 57 4.288 10.201 9.108 1.00 0.00 C ATOM 880 CG1 VAL A 57 3.379 11.395 9.438 1.00 0.00 C ATOM 881 CG2 VAL A 57 3.601 9.405 7.991 1.00 0.00 C ATOM 0 H VAL A 57 6.582 8.810 9.212 1.00 0.00 H new ATOM 0 HA VAL A 57 5.599 11.168 7.718 1.00 0.00 H new ATOM 0 HB VAL A 57 4.426 9.600 10.007 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.399 11.032 9.746 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.821 11.976 10.247 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.272 12.025 8.555 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.604 9.107 8.317 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.521 10.026 7.099 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.189 8.516 7.763 1.00 0.00 H new ATOM 891 N ILE A 58 6.237 12.900 9.399 1.00 0.00 N ATOM 892 CA ILE A 58 6.667 14.004 10.270 1.00 0.00 C ATOM 893 C ILE A 58 5.426 14.834 10.624 1.00 0.00 C ATOM 894 O ILE A 58 4.820 15.464 9.755 1.00 0.00 O ATOM 895 CB ILE A 58 7.772 14.832 9.561 1.00 0.00 C ATOM 896 CG1 ILE A 58 9.065 13.996 9.386 1.00 0.00 C ATOM 897 CG2 ILE A 58 8.077 16.141 10.317 1.00 0.00 C ATOM 898 CD1 ILE A 58 10.079 14.618 8.425 1.00 0.00 C ATOM 0 H ILE A 58 5.825 13.235 8.528 1.00 0.00 H new ATOM 0 HA ILE A 58 7.108 13.637 11.197 1.00 0.00 H new ATOM 0 HB ILE A 58 7.393 15.097 8.574 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.536 13.864 10.360 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.798 13.003 9.024 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.855 16.693 9.790 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.174 16.749 10.370 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.418 15.908 11.326 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.956 13.975 8.355 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.628 14.724 7.439 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.377 15.599 8.795 1.00 0.00 H new ATOM 910 N SER A 59 5.028 14.837 11.898 1.00 0.00 N ATOM 911 CA SER A 59 3.859 15.591 12.383 1.00 0.00 C ATOM 912 C SER A 59 4.293 16.934 12.973 1.00 0.00 C ATOM 913 O SER A 59 5.247 17.001 13.751 1.00 0.00 O ATOM 914 CB SER A 59 3.087 14.803 13.452 1.00 0.00 C ATOM 915 OG SER A 59 2.657 13.534 12.970 1.00 0.00 O ATOM 0 H SER A 59 5.508 14.314 12.631 1.00 0.00 H new ATOM 0 HA SER A 59 3.205 15.758 11.527 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.721 14.663 14.328 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.221 15.381 13.774 1.00 0.00 H new ATOM 0 HG SER A 59 1.753 13.348 13.300 1.00 0.00 H new ATOM 921 N LEU A 60 3.575 18.007 12.642 1.00 0.00 N ATOM 922 CA LEU A 60 3.751 19.359 13.183 1.00 0.00 C ATOM 923 C LEU A 60 2.587 19.721 14.120 1.00 0.00 C ATOM 924 O LEU A 60 1.450 19.279 13.919 1.00 0.00 O ATOM 925 CB LEU A 60 3.861 20.364 12.021 1.00 0.00 C ATOM 926 CG LEU A 60 5.215 20.481 11.287 1.00 0.00 C ATOM 927 CD1 LEU A 60 5.894 19.162 10.929 1.00 0.00 C ATOM 928 CD2 LEU A 60 4.999 21.239 9.976 1.00 0.00 C ATOM 0 H LEU A 60 2.820 17.957 11.958 1.00 0.00 H new ATOM 0 HA LEU A 60 4.669 19.398 13.769 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.103 20.104 11.282 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.605 21.350 12.408 1.00 0.00 H new ATOM 0 HG LEU A 60 5.871 20.990 11.993 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.835 19.364 10.418 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.090 18.595 11.839 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.243 18.583 10.274 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.948 21.329 9.447 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.287 20.696 9.355 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.608 22.233 10.191 1.00 0.00 H new ATOM 940 N ILE A 61 2.859 20.556 15.128 1.00 0.00 N ATOM 941 CA ILE A 61 1.933 20.984 16.194 1.00 0.00 C ATOM 942 C ILE A 61 2.050 22.494 16.458 1.00 0.00 C ATOM 943 O ILE A 61 3.031 23.126 16.074 1.00 0.00 O ATOM 944 CB ILE A 61 2.139 20.146 17.482 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.583 20.122 18.052 1.00 0.00 C ATOM 946 CG2 ILE A 61 1.689 18.695 17.229 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.962 21.336 18.910 1.00 0.00 C ATOM 0 H ILE A 61 3.782 20.978 15.232 1.00 0.00 H new ATOM 0 HA ILE A 61 0.914 20.799 15.853 1.00 0.00 H new ATOM 0 HB ILE A 61 1.532 20.647 18.236 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.706 19.220 18.651 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.284 20.050 17.221 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.834 18.106 18.135 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.634 18.684 16.954 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.280 18.267 16.419 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.988 21.227 19.262 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.878 22.244 18.313 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.290 21.401 19.766 1.00 0.00 H new ATOM 959 N GLU A 62 1.050 23.095 17.107 1.00 0.00 N ATOM 960 CA GLU A 62 1.091 24.506 17.515 1.00 0.00 C ATOM 961 C GLU A 62 2.103 24.729 18.660 1.00 0.00 C ATOM 962 O GLU A 62 2.112 23.992 19.652 1.00 0.00 O ATOM 963 CB GLU A 62 -0.325 24.966 17.899 1.00 0.00 C ATOM 964 CG GLU A 62 -0.399 26.478 18.170 1.00 0.00 C ATOM 965 CD GLU A 62 -1.821 26.990 18.502 1.00 0.00 C ATOM 966 OE1 GLU A 62 -1.964 28.219 18.721 1.00 0.00 O ATOM 967 OE2 GLU A 62 -2.796 26.201 18.540 1.00 0.00 O1- ATOM 0 H GLU A 62 0.186 22.618 17.366 1.00 0.00 H new ATOM 0 HA GLU A 62 1.436 25.113 16.677 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.017 24.709 17.097 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.651 24.424 18.787 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.266 26.721 18.999 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.027 27.012 17.296 1.00 0.00 H new ATOM 974 N GLU A 63 2.950 25.757 18.541 1.00 0.00 N ATOM 975 CA GLU A 63 4.049 26.025 19.482 1.00 0.00 C ATOM 976 C GLU A 63 3.611 26.580 20.852 1.00 0.00 C ATOM 977 O GLU A 63 4.442 26.752 21.748 1.00 0.00 O ATOM 978 CB GLU A 63 5.097 26.916 18.796 1.00 0.00 C ATOM 979 CG GLU A 63 4.661 28.369 18.508 1.00 0.00 C ATOM 980 CD GLU A 63 5.466 29.449 19.267 1.00 0.00 C ATOM 981 OE1 GLU A 63 4.871 30.488 19.644 1.00 0.00 O ATOM 982 OE2 GLU A 63 6.702 29.310 19.451 1.00 0.00 O1- ATOM 0 H GLU A 63 2.893 26.435 17.781 1.00 0.00 H new ATOM 0 HA GLU A 63 4.493 25.062 19.733 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.989 26.942 19.422 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.382 26.449 17.853 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.750 28.555 17.438 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.607 28.475 18.764 1.00 0.00 H new ATOM 1115 N MET B 3 16.544 3.493 9.592 1.00 0.00 N ATOM 1116 CA MET B 3 16.045 4.348 10.683 1.00 0.00 C ATOM 1117 C MET B 3 17.006 5.512 11.004 1.00 0.00 C ATOM 1118 O MET B 3 18.221 5.419 10.816 1.00 0.00 O ATOM 1119 CB MET B 3 15.775 3.503 11.943 1.00 0.00 C ATOM 1120 CG MET B 3 14.401 2.810 11.901 1.00 0.00 C ATOM 1121 SD MET B 3 14.151 1.547 10.615 1.00 0.00 S ATOM 1122 CE MET B 3 15.167 0.196 11.280 1.00 0.00 C ATOM 0 HA MET B 3 15.110 4.793 10.344 1.00 0.00 H new ATOM 0 HB2 MET B 3 16.556 2.750 12.046 1.00 0.00 H new ATOM 0 HB3 MET B 3 15.830 4.142 12.824 1.00 0.00 H new ATOM 0 HG2 MET B 3 14.227 2.345 12.871 1.00 0.00 H new ATOM 0 HG3 MET B 3 13.638 3.578 11.774 1.00 0.00 H new ATOM 0 HE1 MET B 3 15.193 -0.626 10.564 1.00 0.00 H new ATOM 0 HE2 MET B 3 16.181 0.556 11.457 1.00 0.00 H new ATOM 0 HE3 MET B 3 14.737 -0.154 12.219 1.00 0.00 H new ATOM 1132 N ALA B 4 16.431 6.616 11.489 1.00 0.00 N ATOM 1133 CA ALA B 4 17.123 7.871 11.777 1.00 0.00 C ATOM 1134 C ALA B 4 18.065 7.810 13.001 1.00 0.00 C ATOM 1135 O ALA B 4 18.116 6.821 13.741 1.00 0.00 O ATOM 1136 CB ALA B 4 16.043 8.944 11.951 1.00 0.00 C ATOM 0 H ALA B 4 15.434 6.660 11.699 1.00 0.00 H new ATOM 0 HA ALA B 4 17.790 8.103 10.947 1.00 0.00 H new ATOM 0 HB1 ALA B 4 16.514 9.903 12.169 1.00 0.00 H new ATOM 0 HB2 ALA B 4 15.460 9.026 11.033 1.00 0.00 H new ATOM 0 HB3 ALA B 4 15.385 8.668 12.775 1.00 0.00 H new ATOM 1142 N LYS B 5 18.787 8.913 13.229 1.00 0.00 N ATOM 1143 CA LYS B 5 19.685 9.150 14.368 1.00 0.00 C ATOM 1144 C LYS B 5 19.402 10.507 15.029 1.00 0.00 C ATOM 1145 O LYS B 5 19.351 11.540 14.359 1.00 0.00 O ATOM 1146 CB LYS B 5 21.158 8.971 13.936 1.00 0.00 C ATOM 1147 CG LYS B 5 21.586 9.826 12.727 1.00 0.00 C ATOM 1148 CD LYS B 5 23.022 9.519 12.291 1.00 0.00 C ATOM 1149 CE LYS B 5 23.338 10.307 11.015 1.00 0.00 C ATOM 1150 NZ LYS B 5 24.717 10.034 10.526 1.00 0.00 N1+ ATOM 0 H LYS B 5 18.760 9.708 12.590 1.00 0.00 H new ATOM 0 HA LYS B 5 19.491 8.403 15.137 1.00 0.00 H new ATOM 0 HB2 LYS B 5 21.802 9.214 14.781 1.00 0.00 H new ATOM 0 HB3 LYS B 5 21.327 7.921 13.698 1.00 0.00 H new ATOM 0 HG2 LYS B 5 20.907 9.643 11.894 1.00 0.00 H new ATOM 0 HG3 LYS B 5 21.502 10.883 12.981 1.00 0.00 H new ATOM 0 HD2 LYS B 5 23.721 9.789 13.082 1.00 0.00 H new ATOM 0 HD3 LYS B 5 23.140 8.450 12.112 1.00 0.00 H new ATOM 0 HE2 LYS B 5 22.619 10.046 10.239 1.00 0.00 H new ATOM 0 HE3 LYS B 5 23.225 11.374 11.209 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 24.894 10.585 9.662 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 25.405 10.306 11.257 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 24.817 9.020 10.317 1.00 0.00 H new ATOM 1164 N VAL B 6 19.192 10.501 16.348 1.00 0.00 N ATOM 1165 CA VAL B 6 18.830 11.674 17.162 1.00 0.00 C ATOM 1166 C VAL B 6 20.067 12.235 17.868 1.00 0.00 C ATOM 1167 O VAL B 6 20.931 11.461 18.285 1.00 0.00 O ATOM 1168 CB VAL B 6 17.729 11.327 18.191 1.00 0.00 C ATOM 1169 CG1 VAL B 6 17.213 12.557 18.951 1.00 0.00 C ATOM 1170 CG2 VAL B 6 16.519 10.642 17.546 1.00 0.00 C ATOM 0 H VAL B 6 19.271 9.649 16.903 1.00 0.00 H new ATOM 0 HA VAL B 6 18.431 12.437 16.493 1.00 0.00 H new ATOM 0 HB VAL B 6 18.216 10.645 18.888 1.00 0.00 H new ATOM 0 HG11 VAL B 6 16.442 12.251 19.658 1.00 0.00 H new ATOM 0 HG12 VAL B 6 18.037 13.023 19.491 1.00 0.00 H new ATOM 0 HG13 VAL B 6 16.793 13.272 18.244 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.776 10.420 18.312 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.083 11.303 16.798 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.837 9.715 17.069 1.00 0.00 H new ATOM 1180 N VAL B 7 20.143 13.557 18.043 1.00 0.00 N ATOM 1181 CA VAL B 7 21.218 14.235 18.795 1.00 0.00 C ATOM 1182 C VAL B 7 20.687 15.393 19.648 1.00 0.00 C ATOM 1183 O VAL B 7 19.762 16.106 19.245 1.00 0.00 O ATOM 1184 CB VAL B 7 22.353 14.672 17.839 1.00 0.00 C ATOM 1185 CG1 VAL B 7 21.902 15.681 16.775 1.00 0.00 C ATOM 1186 CG2 VAL B 7 23.548 15.259 18.604 1.00 0.00 C ATOM 0 H VAL B 7 19.451 14.202 17.662 1.00 0.00 H new ATOM 0 HA VAL B 7 21.639 13.519 19.501 1.00 0.00 H new ATOM 0 HB VAL B 7 22.654 13.757 17.329 1.00 0.00 H new ATOM 0 HG11 VAL B 7 22.748 15.943 16.140 1.00 0.00 H new ATOM 0 HG12 VAL B 7 21.114 15.239 16.165 1.00 0.00 H new ATOM 0 HG13 VAL B 7 21.523 16.579 17.263 1.00 0.00 H new ATOM 0 HG21 VAL B 7 24.323 15.554 17.897 1.00 0.00 H new ATOM 0 HG22 VAL B 7 23.224 16.131 19.171 1.00 0.00 H new ATOM 0 HG23 VAL B 7 23.946 14.509 19.288 1.00 0.00 H new ATOM 1196 N LEU B 8 21.273 15.579 20.837 1.00 0.00 N ATOM 1197 CA LEU B 8 20.906 16.601 21.823 1.00 0.00 C ATOM 1198 C LEU B 8 22.099 17.044 22.691 1.00 0.00 C ATOM 1199 O LEU B 8 23.068 16.296 22.859 1.00 0.00 O ATOM 1200 CB LEU B 8 19.746 16.073 22.687 1.00 0.00 C ATOM 1201 CG LEU B 8 20.104 14.865 23.581 1.00 0.00 C ATOM 1202 CD1 LEU B 8 20.326 15.280 25.040 1.00 0.00 C ATOM 1203 CD2 LEU B 8 18.985 13.830 23.540 1.00 0.00 C ATOM 0 H LEU B 8 22.049 14.996 21.151 1.00 0.00 H new ATOM 0 HA LEU B 8 20.584 17.493 21.286 1.00 0.00 H new ATOM 0 HB2 LEU B 8 19.386 16.883 23.321 1.00 0.00 H new ATOM 0 HB3 LEU B 8 18.922 15.791 22.032 1.00 0.00 H new ATOM 0 HG LEU B 8 21.030 14.443 23.190 1.00 0.00 H new ATOM 0 HD11 LEU B 8 20.575 14.401 25.634 1.00 0.00 H new ATOM 0 HD12 LEU B 8 21.144 15.998 25.093 1.00 0.00 H new ATOM 0 HD13 LEU B 8 19.416 15.736 25.431 1.00 0.00 H new ATOM 0 HD21 LEU B 8 19.249 12.983 24.174 1.00 0.00 H new ATOM 0 HD22 LEU B 8 18.060 14.280 23.902 1.00 0.00 H new ATOM 0 HD23 LEU B 8 18.845 13.486 22.515 1.00 0.00 H new ATOM 1215 N THR B 9 22.004 18.247 23.271 1.00 0.00 N ATOM 1216 CA THR B 9 23.017 18.825 24.176 1.00 0.00 C ATOM 1217 C THR B 9 22.471 18.939 25.607 1.00 0.00 C ATOM 1218 O THR B 9 21.345 19.404 25.819 1.00 0.00 O ATOM 1219 CB THR B 9 23.520 20.192 23.670 1.00 0.00 C ATOM 1220 OG1 THR B 9 23.879 20.127 22.302 1.00 0.00 O ATOM 1221 CG2 THR B 9 24.764 20.675 24.404 1.00 0.00 C ATOM 0 H THR B 9 21.204 18.863 23.124 1.00 0.00 H new ATOM 0 HA THR B 9 23.870 18.146 24.187 1.00 0.00 H new ATOM 0 HB THR B 9 22.691 20.878 23.844 1.00 0.00 H new ATOM 0 HG1 THR B 9 24.040 21.032 21.963 1.00 0.00 H new ATOM 0 HG21 THR B 9 25.070 21.642 24.004 1.00 0.00 H new ATOM 0 HG22 THR B 9 24.543 20.776 25.467 1.00 0.00 H new ATOM 0 HG23 THR B 9 25.570 19.954 24.267 1.00 0.00 H new ATOM 1229 N LYS B 10 23.264 18.493 26.588 1.00 0.00 N ATOM 1230 CA LYS B 10 22.977 18.537 28.031 1.00 0.00 C ATOM 1231 C LYS B 10 23.251 19.918 28.650 1.00 0.00 C ATOM 1232 O LYS B 10 24.016 20.719 28.108 1.00 0.00 O ATOM 1233 CB LYS B 10 23.840 17.486 28.747 1.00 0.00 C ATOM 1234 CG LYS B 10 23.543 16.035 28.336 1.00 0.00 C ATOM 1235 CD LYS B 10 24.343 15.049 29.200 1.00 0.00 C ATOM 1236 CE LYS B 10 25.845 15.078 28.883 1.00 0.00 C ATOM 1237 NZ LYS B 10 26.653 14.598 30.034 1.00 0.00 N1+ ATOM 0 H LYS B 10 24.170 18.069 26.389 1.00 0.00 H new ATOM 0 HA LYS B 10 21.915 18.328 28.158 1.00 0.00 H new ATOM 0 HB2 LYS B 10 24.890 17.699 28.549 1.00 0.00 H new ATOM 0 HB3 LYS B 10 23.693 17.584 29.823 1.00 0.00 H new ATOM 0 HG2 LYS B 10 22.477 15.834 28.439 1.00 0.00 H new ATOM 0 HG3 LYS B 10 23.794 15.891 27.285 1.00 0.00 H new ATOM 0 HD2 LYS B 10 24.192 15.287 30.253 1.00 0.00 H new ATOM 0 HD3 LYS B 10 23.961 14.040 29.044 1.00 0.00 H new ATOM 0 HE2 LYS B 10 26.046 14.456 28.011 1.00 0.00 H new ATOM 0 HE3 LYS B 10 26.144 16.094 28.625 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 27.611 14.356 29.709 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 26.710 15.346 30.754 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 26.204 13.755 30.446 1.00 0.00 H new ATOM 1251 N ALA B 11 22.704 20.161 29.844 1.00 0.00 N ATOM 1252 CA ALA B 11 22.960 21.376 30.630 1.00 0.00 C ATOM 1253 C ALA B 11 24.429 21.519 31.096 1.00 0.00 C ATOM 1254 O ALA B 11 24.903 22.640 31.301 1.00 0.00 O ATOM 1255 CB ALA B 11 21.998 21.360 31.831 1.00 0.00 C ATOM 0 H ALA B 11 22.062 19.512 30.300 1.00 0.00 H new ATOM 0 HA ALA B 11 22.786 22.243 29.993 1.00 0.00 H new ATOM 0 HB1 ALA B 11 22.160 22.250 32.439 1.00 0.00 H new ATOM 0 HB2 ALA B 11 20.969 21.348 31.473 1.00 0.00 H new ATOM 0 HB3 ALA B 11 22.183 20.471 32.433 1.00 0.00 H new ATOM 1261 N ASP B 12 25.162 20.406 31.231 1.00 0.00 N ATOM 1262 CA ASP B 12 26.596 20.390 31.565 1.00 0.00 C ATOM 1263 C ASP B 12 27.522 20.672 30.358 1.00 0.00 C ATOM 1264 O ASP B 12 28.742 20.720 30.525 1.00 0.00 O ATOM 1265 CB ASP B 12 26.948 19.064 32.277 1.00 0.00 C ATOM 1266 CG ASP B 12 26.859 17.787 31.420 1.00 0.00 C ATOM 1267 OD1 ASP B 12 26.791 16.674 31.998 1.00 0.00 O ATOM 1268 OD2 ASP B 12 26.873 17.866 30.170 1.00 0.00 O1- ATOM 0 H ASP B 12 24.769 19.473 31.109 1.00 0.00 H new ATOM 0 HA ASP B 12 26.780 21.220 32.247 1.00 0.00 H new ATOM 0 HB2 ASP B 12 27.962 19.144 32.668 1.00 0.00 H new ATOM 0 HB3 ASP B 12 26.284 18.949 33.134 1.00 0.00 H new ATOM 1273 N GLY B 13 26.960 20.870 29.157 1.00 0.00 N ATOM 1274 CA GLY B 13 27.676 21.165 27.908 1.00 0.00 C ATOM 1275 C GLY B 13 28.110 19.937 27.084 1.00 0.00 C ATOM 1276 O GLY B 13 28.562 20.096 25.947 1.00 0.00 O ATOM 0 H GLY B 13 25.950 20.827 29.024 1.00 0.00 H new ATOM 0 HA2 GLY B 13 27.039 21.792 27.284 1.00 0.00 H new ATOM 0 HA3 GLY B 13 28.563 21.751 28.148 1.00 0.00 H new ATOM 1280 N GLY B 14 27.951 18.720 27.614 1.00 0.00 N ATOM 1281 CA GLY B 14 28.143 17.465 26.878 1.00 0.00 C ATOM 1282 C GLY B 14 26.986 17.145 25.923 1.00 0.00 C ATOM 1283 O GLY B 14 25.946 17.805 25.942 1.00 0.00 O ATOM 0 H GLY B 14 27.680 18.576 28.587 1.00 0.00 H new ATOM 0 HA2 GLY B 14 29.071 17.523 26.309 1.00 0.00 H new ATOM 0 HA3 GLY B 14 28.256 16.647 27.589 1.00 0.00 H new ATOM 1287 N ARG B 15 27.149 16.114 25.086 1.00 0.00 N ATOM 1288 CA ARG B 15 26.161 15.685 24.072 1.00 0.00 C ATOM 1289 C ARG B 15 25.842 14.194 24.143 1.00 0.00 C ATOM 1290 O ARG B 15 26.663 13.387 24.592 1.00 0.00 O ATOM 1291 CB ARG B 15 26.609 16.113 22.659 1.00 0.00 C ATOM 1292 CG ARG B 15 26.448 17.626 22.470 1.00 0.00 C ATOM 1293 CD ARG B 15 26.792 18.095 21.057 1.00 0.00 C ATOM 1294 NE ARG B 15 26.324 19.479 20.876 1.00 0.00 N ATOM 1295 CZ ARG B 15 26.818 20.426 20.106 1.00 0.00 C ATOM 1296 NH1 ARG B 15 27.858 20.248 19.344 1.00 0.00 N1+ ATOM 1297 NH2 ARG B 15 26.246 21.598 20.097 1.00 0.00 N ATOM 0 H ARG B 15 27.990 15.537 25.090 1.00 0.00 H new ATOM 0 HA ARG B 15 25.226 16.196 24.301 1.00 0.00 H new ATOM 0 HB2 ARG B 15 27.650 15.831 22.502 1.00 0.00 H new ATOM 0 HB3 ARG B 15 26.020 15.584 21.910 1.00 0.00 H new ATOM 0 HG2 ARG B 15 25.420 17.907 22.699 1.00 0.00 H new ATOM 0 HG3 ARG B 15 27.087 18.145 23.184 1.00 0.00 H new ATOM 0 HD2 ARG B 15 27.868 18.039 20.895 1.00 0.00 H new ATOM 0 HD3 ARG B 15 26.324 17.442 20.321 1.00 0.00 H new ATOM 0 HE ARG B 15 25.504 19.741 21.423 1.00 0.00 H new ATOM 0 HH11 ARG B 15 28.328 19.343 19.326 1.00 0.00 H new ATOM 0 HH12 ARG B 15 28.203 21.014 18.765 1.00 0.00 H new ATOM 0 HH21 ARG B 15 25.428 21.771 20.681 1.00 0.00 H new ATOM 0 HH22 ARG B 15 26.617 22.342 19.506 1.00 0.00 H new ATOM 1311 N VAL B 16 24.639 13.844 23.681 1.00 0.00 N ATOM 1312 CA VAL B 16 24.076 12.485 23.654 1.00 0.00 C ATOM 1313 C VAL B 16 23.501 12.200 22.264 1.00 0.00 C ATOM 1314 O VAL B 16 22.891 13.075 21.647 1.00 0.00 O ATOM 1315 CB VAL B 16 23.013 12.304 24.763 1.00 0.00 C ATOM 1316 CG1 VAL B 16 22.321 10.933 24.728 1.00 0.00 C ATOM 1317 CG2 VAL B 16 23.608 12.489 26.160 1.00 0.00 C ATOM 0 H VAL B 16 23.995 14.534 23.295 1.00 0.00 H new ATOM 0 HA VAL B 16 24.867 11.763 23.855 1.00 0.00 H new ATOM 0 HB VAL B 16 22.273 13.078 24.558 1.00 0.00 H new ATOM 0 HG11 VAL B 16 21.588 10.875 25.533 1.00 0.00 H new ATOM 0 HG12 VAL B 16 21.818 10.803 23.769 1.00 0.00 H new ATOM 0 HG13 VAL B 16 23.065 10.147 24.857 1.00 0.00 H new ATOM 0 HG21 VAL B 16 22.828 12.353 26.909 1.00 0.00 H new ATOM 0 HG22 VAL B 16 24.396 11.753 26.320 1.00 0.00 H new ATOM 0 HG23 VAL B 16 24.025 13.492 26.248 1.00 0.00 H new ATOM 1327 N GLU B 17 23.675 10.966 21.779 1.00 0.00 N ATOM 1328 CA GLU B 17 23.190 10.489 20.475 1.00 0.00 C ATOM 1329 C GLU B 17 22.446 9.147 20.605 1.00 0.00 C ATOM 1330 O GLU B 17 22.840 8.278 21.386 1.00 0.00 O ATOM 1331 CB GLU B 17 24.348 10.347 19.469 1.00 0.00 C ATOM 1332 CG GLU B 17 25.000 11.688 19.096 1.00 0.00 C ATOM 1333 CD GLU B 17 26.188 11.522 18.127 1.00 0.00 C ATOM 1334 OE1 GLU B 17 26.159 10.630 17.239 1.00 0.00 O ATOM 1335 OE2 GLU B 17 27.171 12.298 18.231 1.00 0.00 O1- ATOM 0 H GLU B 17 24.174 10.245 22.300 1.00 0.00 H new ATOM 0 HA GLU B 17 22.490 11.237 20.103 1.00 0.00 H new ATOM 0 HB2 GLU B 17 25.107 9.687 19.890 1.00 0.00 H new ATOM 0 HB3 GLU B 17 23.976 9.868 18.563 1.00 0.00 H new ATOM 0 HG2 GLU B 17 24.252 12.337 18.640 1.00 0.00 H new ATOM 0 HG3 GLU B 17 25.343 12.186 20.003 1.00 0.00 H new ATOM 1342 N ILE B 18 21.374 8.971 19.820 1.00 0.00 N ATOM 1343 CA ILE B 18 20.514 7.773 19.824 1.00 0.00 C ATOM 1344 C ILE B 18 20.228 7.340 18.377 1.00 0.00 C ATOM 1345 O ILE B 18 19.462 7.994 17.668 1.00 0.00 O ATOM 1346 CB ILE B 18 19.199 8.010 20.611 1.00 0.00 C ATOM 1347 CG1 ILE B 18 19.404 8.523 22.058 1.00 0.00 C ATOM 1348 CG2 ILE B 18 18.369 6.708 20.655 1.00 0.00 C ATOM 1349 CD1 ILE B 18 18.163 9.251 22.598 1.00 0.00 C ATOM 0 H ILE B 18 21.071 9.674 19.146 1.00 0.00 H new ATOM 0 HA ILE B 18 21.044 6.970 20.337 1.00 0.00 H new ATOM 0 HB ILE B 18 18.674 8.798 20.071 1.00 0.00 H new ATOM 0 HG12 ILE B 18 19.642 7.682 22.709 1.00 0.00 H new ATOM 0 HG13 ILE B 18 20.259 9.198 22.084 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.447 6.883 21.210 1.00 0.00 H new ATOM 0 HG22 ILE B 18 18.128 6.396 19.639 1.00 0.00 H new ATOM 0 HG23 ILE B 18 18.946 5.925 21.148 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.355 9.592 23.615 1.00 0.00 H new ATOM 0 HD12 ILE B 18 17.940 10.109 21.964 1.00 0.00 H new ATOM 0 HD13 ILE B 18 17.313 8.569 22.599 1.00 0.00 H new ATOM 1361 N GLY B 19 20.849 6.249 17.931 1.00 0.00 N ATOM 1362 CA GLY B 19 20.572 5.629 16.629 1.00 0.00 C ATOM 1363 C GLY B 19 19.374 4.669 16.651 1.00 0.00 C ATOM 1364 O GLY B 19 18.813 4.366 17.708 1.00 0.00 O ATOM 0 H GLY B 19 21.567 5.763 18.467 1.00 0.00 H new ATOM 0 HA2 GLY B 19 20.386 6.413 15.894 1.00 0.00 H new ATOM 0 HA3 GLY B 19 21.457 5.086 16.298 1.00 0.00 H new ATOM 1368 N ASP B 20 19.013 4.136 15.478 1.00 0.00 N ATOM 1369 CA ASP B 20 18.056 3.028 15.306 1.00 0.00 C ATOM 1370 C ASP B 20 16.645 3.297 15.881 1.00 0.00 C ATOM 1371 O ASP B 20 15.968 2.388 16.377 1.00 0.00 O ATOM 1372 CB ASP B 20 18.680 1.709 15.806 1.00 0.00 C ATOM 1373 CG ASP B 20 20.059 1.363 15.202 1.00 0.00 C ATOM 1374 OD1 ASP B 20 20.822 0.603 15.847 1.00 0.00 O ATOM 1375 OD2 ASP B 20 20.388 1.817 14.078 1.00 0.00 O1- ATOM 0 H ASP B 20 19.389 4.472 14.591 1.00 0.00 H new ATOM 0 HA ASP B 20 17.869 2.935 14.236 1.00 0.00 H new ATOM 0 HB2 ASP B 20 18.779 1.761 16.890 1.00 0.00 H new ATOM 0 HB3 ASP B 20 17.990 0.894 15.587 1.00 0.00 H new ATOM 1380 N VAL B 21 16.190 4.558 15.848 1.00 0.00 N ATOM 1381 CA VAL B 21 14.898 4.982 16.418 1.00 0.00 C ATOM 1382 C VAL B 21 13.699 4.606 15.544 1.00 0.00 C ATOM 1383 O VAL B 21 13.711 4.800 14.328 1.00 0.00 O ATOM 1384 CB VAL B 21 14.882 6.477 16.791 1.00 0.00 C ATOM 1385 CG1 VAL B 21 15.931 6.769 17.867 1.00 0.00 C ATOM 1386 CG2 VAL B 21 15.097 7.437 15.621 1.00 0.00 C ATOM 0 H VAL B 21 16.713 5.322 15.421 1.00 0.00 H new ATOM 0 HA VAL B 21 14.791 4.417 17.344 1.00 0.00 H new ATOM 0 HB VAL B 21 13.872 6.660 17.159 1.00 0.00 H new ATOM 0 HG11 VAL B 21 15.908 7.829 18.120 1.00 0.00 H new ATOM 0 HG12 VAL B 21 15.713 6.179 18.757 1.00 0.00 H new ATOM 0 HG13 VAL B 21 16.920 6.507 17.491 1.00 0.00 H new ATOM 0 HG21 VAL B 21 15.069 8.465 15.984 1.00 0.00 H new ATOM 0 HG22 VAL B 21 16.066 7.240 15.162 1.00 0.00 H new ATOM 0 HG23 VAL B 21 14.309 7.292 14.882 1.00 0.00 H new ATOM 1396 N LEU B 22 12.642 4.091 16.171 1.00 0.00 N ATOM 1397 CA LEU B 22 11.333 3.870 15.540 1.00 0.00 C ATOM 1398 C LEU B 22 10.490 5.152 15.512 1.00 0.00 C ATOM 1399 O LEU B 22 9.758 5.392 14.552 1.00 0.00 O ATOM 1400 CB LEU B 22 10.562 2.779 16.306 1.00 0.00 C ATOM 1401 CG LEU B 22 11.147 1.359 16.216 1.00 0.00 C ATOM 1402 CD1 LEU B 22 10.253 0.408 17.019 1.00 0.00 C ATOM 1403 CD2 LEU B 22 11.227 0.841 14.777 1.00 0.00 C ATOM 0 H LEU B 22 12.668 3.809 17.151 1.00 0.00 H new ATOM 0 HA LEU B 22 11.513 3.556 14.512 1.00 0.00 H new ATOM 0 HB2 LEU B 22 10.512 3.065 17.357 1.00 0.00 H new ATOM 0 HB3 LEU B 22 9.538 2.754 15.933 1.00 0.00 H new ATOM 0 HG LEU B 22 12.161 1.399 16.613 1.00 0.00 H new ATOM 0 HD11 LEU B 22 10.656 -0.603 16.964 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.222 0.730 18.060 1.00 0.00 H new ATOM 0 HD13 LEU B 22 9.245 0.420 16.605 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.647 -0.165 14.775 1.00 0.00 H new ATOM 0 HD22 LEU B 22 10.228 0.817 14.343 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.863 1.501 14.188 1.00 0.00 H new ATOM 1415 N GLU B 23 10.568 5.968 16.567 1.00 0.00 N ATOM 1416 CA GLU B 23 9.769 7.186 16.709 1.00 0.00 C ATOM 1417 C GLU B 23 10.396 8.165 17.717 1.00 0.00 C ATOM 1418 O GLU B 23 11.010 7.755 18.709 1.00 0.00 O ATOM 1419 CB GLU B 23 8.322 6.820 17.112 1.00 0.00 C ATOM 1420 CG GLU B 23 7.372 8.029 17.082 1.00 0.00 C ATOM 1421 CD GLU B 23 5.899 7.679 17.326 1.00 0.00 C ATOM 1422 OE1 GLU B 23 5.554 6.554 17.758 1.00 0.00 O ATOM 1423 OE2 GLU B 23 5.047 8.588 17.203 1.00 0.00 O1- ATOM 0 H GLU B 23 11.194 5.799 17.354 1.00 0.00 H new ATOM 0 HA GLU B 23 9.748 7.695 15.745 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.945 6.051 16.438 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.326 6.391 18.114 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.693 8.747 17.837 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.461 8.522 16.114 1.00 0.00 H new ATOM 1430 N VAL B 24 10.192 9.462 17.475 1.00 0.00 N ATOM 1431 CA VAL B 24 10.531 10.596 18.349 1.00 0.00 C ATOM 1432 C VAL B 24 9.302 11.505 18.474 1.00 0.00 C ATOM 1433 O VAL B 24 8.627 11.750 17.472 1.00 0.00 O ATOM 1434 CB VAL B 24 11.728 11.389 17.787 1.00 0.00 C ATOM 1435 CG1 VAL B 24 12.192 12.510 18.732 1.00 0.00 C ATOM 1436 CG2 VAL B 24 12.935 10.510 17.430 1.00 0.00 C ATOM 0 H VAL B 24 9.757 9.772 16.606 1.00 0.00 H new ATOM 0 HA VAL B 24 10.817 10.219 19.331 1.00 0.00 H new ATOM 0 HB VAL B 24 11.344 11.830 16.867 1.00 0.00 H new ATOM 0 HG11 VAL B 24 13.037 13.035 18.286 1.00 0.00 H new ATOM 0 HG12 VAL B 24 11.373 13.211 18.894 1.00 0.00 H new ATOM 0 HG13 VAL B 24 12.495 12.079 19.686 1.00 0.00 H new ATOM 0 HG21 VAL B 24 13.738 11.136 17.041 1.00 0.00 H new ATOM 0 HG22 VAL B 24 13.281 9.988 18.322 1.00 0.00 H new ATOM 0 HG23 VAL B 24 12.644 9.782 16.673 1.00 0.00 H new ATOM 1446 N ARG B 25 8.997 12.012 19.674 1.00 0.00 N ATOM 1447 CA ARG B 25 7.844 12.881 19.969 1.00 0.00 C ATOM 1448 C ARG B 25 8.238 14.045 20.884 1.00 0.00 C ATOM 1449 O ARG B 25 8.861 13.831 21.925 1.00 0.00 O ATOM 1450 CB ARG B 25 6.707 12.097 20.647 1.00 0.00 C ATOM 1451 CG ARG B 25 6.187 10.886 19.857 1.00 0.00 C ATOM 1452 CD ARG B 25 4.963 10.298 20.570 1.00 0.00 C ATOM 1453 NE ARG B 25 4.501 9.063 19.910 1.00 0.00 N ATOM 1454 CZ ARG B 25 3.779 8.090 20.426 1.00 0.00 C ATOM 1455 NH1 ARG B 25 3.217 8.174 21.598 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 25 3.622 6.987 19.752 1.00 0.00 N ATOM 0 H ARG B 25 9.566 11.823 20.500 1.00 0.00 H new ATOM 0 HA ARG B 25 7.500 13.270 19.010 1.00 0.00 H new ATOM 0 HB2 ARG B 25 7.055 11.753 21.621 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.875 12.778 20.827 1.00 0.00 H new ATOM 0 HG2 ARG B 25 5.921 11.186 18.843 1.00 0.00 H new ATOM 0 HG3 ARG B 25 6.969 10.131 19.771 1.00 0.00 H new ATOM 0 HD2 ARG B 25 5.212 10.086 21.610 1.00 0.00 H new ATOM 0 HD3 ARG B 25 4.157 11.032 20.579 1.00 0.00 H new ATOM 0 HE ARG B 25 4.774 8.948 18.934 1.00 0.00 H new ATOM 0 HH11 ARG B 25 3.327 9.020 22.157 1.00 0.00 H new ATOM 0 HH12 ARG B 25 2.666 7.394 21.957 1.00 0.00 H new ATOM 0 HH21 ARG B 25 4.056 6.884 18.835 1.00 0.00 H new ATOM 0 HH22 ARG B 25 3.065 6.226 20.141 1.00 0.00 H new ATOM 1470 N ALA B 26 7.816 15.258 20.539 1.00 0.00 N ATOM 1471 CA ALA B 26 7.781 16.401 21.449 1.00 0.00 C ATOM 1472 C ALA B 26 6.457 16.430 22.242 1.00 0.00 C ATOM 1473 O ALA B 26 5.398 16.033 21.744 1.00 0.00 O ATOM 1474 CB ALA B 26 7.999 17.683 20.642 1.00 0.00 C ATOM 0 H ALA B 26 7.482 15.479 19.601 1.00 0.00 H new ATOM 0 HA ALA B 26 8.581 16.315 22.185 1.00 0.00 H new ATOM 0 HB1 ALA B 26 7.975 18.543 21.311 1.00 0.00 H new ATOM 0 HB2 ALA B 26 8.967 17.639 20.143 1.00 0.00 H new ATOM 0 HB3 ALA B 26 7.211 17.782 19.896 1.00 0.00 H new ATOM 1509 N ALA B 30 9.081 18.720 27.093 1.00 0.00 N ATOM 1510 CA ALA B 30 10.039 17.612 26.944 1.00 0.00 C ATOM 1511 C ALA B 30 10.027 16.970 25.546 1.00 0.00 C ATOM 1512 O ALA B 30 9.080 17.142 24.777 1.00 0.00 O ATOM 1513 CB ALA B 30 9.733 16.546 28.019 1.00 0.00 C ATOM 0 HA ALA B 30 11.039 18.026 27.074 1.00 0.00 H new ATOM 0 HB1 ALA B 30 10.435 15.718 27.921 1.00 0.00 H new ATOM 0 HB2 ALA B 30 9.831 16.990 29.010 1.00 0.00 H new ATOM 0 HB3 ALA B 30 8.716 16.177 27.886 1.00 0.00 H new ATOM 1519 N VAL B 31 11.065 16.170 25.247 1.00 0.00 N ATOM 1520 CA VAL B 31 11.100 15.215 24.113 1.00 0.00 C ATOM 1521 C VAL B 31 11.252 13.775 24.614 1.00 0.00 C ATOM 1522 O VAL B 31 11.944 13.527 25.602 1.00 0.00 O ATOM 1523 CB VAL B 31 12.199 15.571 23.089 1.00 0.00 C ATOM 1524 CG1 VAL B 31 12.363 14.528 21.975 1.00 0.00 C ATOM 1525 CG2 VAL B 31 11.879 16.904 22.401 1.00 0.00 C ATOM 0 H VAL B 31 11.925 16.165 25.796 1.00 0.00 H new ATOM 0 HA VAL B 31 10.145 15.294 23.594 1.00 0.00 H new ATOM 0 HB VAL B 31 13.121 15.618 23.668 1.00 0.00 H new ATOM 0 HG11 VAL B 31 13.152 14.845 21.293 1.00 0.00 H new ATOM 0 HG12 VAL B 31 12.627 13.566 22.414 1.00 0.00 H new ATOM 0 HG13 VAL B 31 11.426 14.432 21.426 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.664 17.140 21.682 1.00 0.00 H new ATOM 0 HG22 VAL B 31 10.924 16.826 21.882 1.00 0.00 H new ATOM 0 HG23 VAL B 31 11.822 17.695 23.149 1.00 0.00 H new ATOM 1535 N ARG B 32 10.616 12.822 23.922 1.00 0.00 N ATOM 1536 CA ARG B 32 10.630 11.367 24.179 1.00 0.00 C ATOM 1537 C ARG B 32 10.947 10.600 22.893 1.00 0.00 C ATOM 1538 O ARG B 32 10.590 11.047 21.801 1.00 0.00 O ATOM 1539 CB ARG B 32 9.266 10.939 24.748 1.00 0.00 C ATOM 1540 CG ARG B 32 9.031 11.461 26.180 1.00 0.00 C ATOM 1541 CD ARG B 32 7.550 11.453 26.569 1.00 0.00 C ATOM 1542 NE ARG B 32 6.971 10.097 26.615 1.00 0.00 N ATOM 1543 CZ ARG B 32 5.689 9.816 26.754 1.00 0.00 C ATOM 1544 NH1 ARG B 32 4.774 10.736 26.858 1.00 0.00 N1+ ATOM 1545 NH2 ARG B 32 5.298 8.570 26.792 1.00 0.00 N ATOM 0 H ARG B 32 10.039 13.056 23.114 1.00 0.00 H new ATOM 0 HA ARG B 32 11.408 11.135 24.907 1.00 0.00 H new ATOM 0 HB2 ARG B 32 8.473 11.307 24.097 1.00 0.00 H new ATOM 0 HB3 ARG B 32 9.201 9.851 24.747 1.00 0.00 H new ATOM 0 HG2 ARG B 32 9.592 10.847 26.884 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.420 12.476 26.262 1.00 0.00 H new ATOM 0 HD2 ARG B 32 7.434 11.924 27.545 1.00 0.00 H new ATOM 0 HD3 ARG B 32 6.990 12.057 25.855 1.00 0.00 H new ATOM 0 HE ARG B 32 7.615 9.311 26.532 1.00 0.00 H new ATOM 0 HH11 ARG B 32 5.036 11.721 26.833 1.00 0.00 H new ATOM 0 HH12 ARG B 32 3.795 10.472 26.964 1.00 0.00 H new ATOM 0 HH21 ARG B 32 5.983 7.818 26.714 1.00 0.00 H new ATOM 0 HH22 ARG B 32 4.308 8.349 26.899 1.00 0.00 H new ATOM 1559 N VAL B 33 11.625 9.456 22.992 1.00 0.00 N ATOM 1560 CA VAL B 33 12.116 8.689 21.827 1.00 0.00 C ATOM 1561 C VAL B 33 12.273 7.193 22.139 1.00 0.00 C ATOM 1562 O VAL B 33 12.633 6.833 23.262 1.00 0.00 O ATOM 1563 CB VAL B 33 13.393 9.342 21.223 1.00 0.00 C ATOM 1564 CG1 VAL B 33 14.280 10.133 22.194 1.00 0.00 C ATOM 1565 CG2 VAL B 33 14.313 8.378 20.467 1.00 0.00 C ATOM 0 H VAL B 33 11.855 9.025 23.887 1.00 0.00 H new ATOM 0 HA VAL B 33 11.354 8.735 21.049 1.00 0.00 H new ATOM 0 HB VAL B 33 12.924 10.042 20.531 1.00 0.00 H new ATOM 0 HG11 VAL B 33 15.137 10.539 21.656 1.00 0.00 H new ATOM 0 HG12 VAL B 33 13.705 10.950 22.629 1.00 0.00 H new ATOM 0 HG13 VAL B 33 14.630 9.473 22.988 1.00 0.00 H new ATOM 0 HG21 VAL B 33 15.175 8.924 20.083 1.00 0.00 H new ATOM 0 HG22 VAL B 33 14.652 7.593 21.143 1.00 0.00 H new ATOM 0 HG23 VAL B 33 13.767 7.930 19.636 1.00 0.00 H new ATOM 1575 N THR B 34 12.016 6.330 21.146 1.00 0.00 N ATOM 1576 CA THR B 34 12.019 4.854 21.287 1.00 0.00 C ATOM 1577 C THR B 34 12.819 4.159 20.176 1.00 0.00 C ATOM 1578 O THR B 34 12.673 4.499 18.999 1.00 0.00 O ATOM 1579 CB THR B 34 10.582 4.295 21.324 1.00 0.00 C ATOM 1580 OG1 THR B 34 9.811 4.940 22.319 1.00 0.00 O ATOM 1581 CG2 THR B 34 10.540 2.797 21.645 1.00 0.00 C ATOM 0 H THR B 34 11.795 6.638 20.199 1.00 0.00 H new ATOM 0 HA THR B 34 12.511 4.639 22.235 1.00 0.00 H new ATOM 0 HB THR B 34 10.179 4.473 20.327 1.00 0.00 H new ATOM 0 HG1 THR B 34 8.904 4.569 22.321 1.00 0.00 H new ATOM 0 HG21 THR B 34 9.505 2.457 21.658 1.00 0.00 H new ATOM 0 HG22 THR B 34 11.093 2.246 20.884 1.00 0.00 H new ATOM 0 HG23 THR B 34 10.992 2.621 22.621 1.00 0.00 H new ATOM 1589 N THR B 35 13.659 3.179 20.532 1.00 0.00 N ATOM 1590 CA THR B 35 14.494 2.385 19.598 1.00 0.00 C ATOM 1591 C THR B 35 13.822 1.101 19.106 1.00 0.00 C ATOM 1592 O THR B 35 12.855 0.620 19.703 1.00 0.00 O ATOM 1593 CB THR B 35 15.857 2.044 20.215 1.00 0.00 C ATOM 1594 OG1 THR B 35 15.699 1.097 21.252 1.00 0.00 O ATOM 1595 CG2 THR B 35 16.573 3.281 20.760 1.00 0.00 C ATOM 0 H THR B 35 13.786 2.902 21.505 1.00 0.00 H new ATOM 0 HA THR B 35 14.633 3.028 18.729 1.00 0.00 H new ATOM 0 HB THR B 35 16.473 1.626 19.419 1.00 0.00 H new ATOM 0 HG1 THR B 35 16.453 0.472 21.242 1.00 0.00 H new ATOM 0 HG21 THR B 35 17.532 2.988 21.186 1.00 0.00 H new ATOM 0 HG22 THR B 35 16.738 3.992 19.951 1.00 0.00 H new ATOM 0 HG23 THR B 35 15.960 3.746 21.532 1.00 0.00 H new ATOM 1603 N LEU B 36 14.353 0.501 18.031 1.00 0.00 N ATOM 1604 CA LEU B 36 13.906 -0.805 17.511 1.00 0.00 C ATOM 1605 C LEU B 36 14.208 -1.991 18.445 1.00 0.00 C ATOM 1606 O LEU B 36 13.617 -3.064 18.287 1.00 0.00 O ATOM 1607 CB LEU B 36 14.438 -1.012 16.078 1.00 0.00 C ATOM 1608 CG LEU B 36 15.962 -1.186 15.903 1.00 0.00 C ATOM 1609 CD1 LEU B 36 16.470 -2.598 16.207 1.00 0.00 C ATOM 1610 CD2 LEU B 36 16.322 -0.907 14.441 1.00 0.00 C ATOM 0 H LEU B 36 15.114 0.911 17.490 1.00 0.00 H new ATOM 0 HA LEU B 36 12.817 -0.780 17.472 1.00 0.00 H new ATOM 0 HB2 LEU B 36 13.949 -1.892 15.661 1.00 0.00 H new ATOM 0 HB3 LEU B 36 14.125 -0.159 15.476 1.00 0.00 H new ATOM 0 HG LEU B 36 16.424 -0.496 16.610 1.00 0.00 H new ATOM 0 HD11 LEU B 36 17.549 -2.636 16.060 1.00 0.00 H new ATOM 0 HD12 LEU B 36 16.235 -2.855 17.240 1.00 0.00 H new ATOM 0 HD13 LEU B 36 15.988 -3.310 15.538 1.00 0.00 H new ATOM 0 HD21 LEU B 36 17.396 -1.026 14.302 1.00 0.00 H new ATOM 0 HD22 LEU B 36 15.793 -1.608 13.796 1.00 0.00 H new ATOM 0 HD23 LEU B 36 16.034 0.112 14.183 1.00 0.00 H new ATOM 1622 N PHE B 37 15.090 -1.796 19.432 1.00 0.00 N ATOM 1623 CA PHE B 37 15.351 -2.731 20.538 1.00 0.00 C ATOM 1624 C PHE B 37 14.532 -2.396 21.800 1.00 0.00 C ATOM 1625 O PHE B 37 14.850 -2.842 22.905 1.00 0.00 O ATOM 1626 CB PHE B 37 16.865 -2.883 20.757 1.00 0.00 C ATOM 1627 CG PHE B 37 17.650 -1.602 20.982 1.00 0.00 C ATOM 1628 CD1 PHE B 37 17.901 -1.145 22.288 1.00 0.00 C ATOM 1629 CD2 PHE B 37 18.189 -0.904 19.884 1.00 0.00 C ATOM 1630 CE1 PHE B 37 18.686 0.006 22.498 1.00 0.00 C ATOM 1631 CE2 PHE B 37 18.970 0.249 20.095 1.00 0.00 C ATOM 1632 CZ PHE B 37 19.218 0.706 21.399 1.00 0.00 C ATOM 0 H PHE B 37 15.663 -0.954 19.487 1.00 0.00 H new ATOM 0 HA PHE B 37 14.988 -3.721 20.263 1.00 0.00 H new ATOM 0 HB2 PHE B 37 17.021 -3.534 21.617 1.00 0.00 H new ATOM 0 HB3 PHE B 37 17.285 -3.393 19.890 1.00 0.00 H new ATOM 0 HD1 PHE B 37 17.491 -1.678 23.133 1.00 0.00 H new ATOM 0 HD2 PHE B 37 18.003 -1.253 18.879 1.00 0.00 H new ATOM 0 HE1 PHE B 37 18.880 0.351 23.503 1.00 0.00 H new ATOM 0 HE2 PHE B 37 19.380 0.783 19.251 1.00 0.00 H new ATOM 0 HZ PHE B 37 19.815 1.592 21.558 1.00 0.00 H new ATOM 1642 N ASP B 38 13.435 -1.645 21.638 1.00 0.00 N ATOM 1643 CA ASP B 38 12.420 -1.300 22.645 1.00 0.00 C ATOM 1644 C ASP B 38 12.932 -0.475 23.851 1.00 0.00 C ATOM 1645 O ASP B 38 12.270 -0.421 24.895 1.00 0.00 O ATOM 1646 CB ASP B 38 11.598 -2.537 23.071 1.00 0.00 C ATOM 1647 CG ASP B 38 10.991 -3.343 21.911 1.00 0.00 C ATOM 1648 OD1 ASP B 38 10.602 -2.754 20.871 1.00 0.00 O ATOM 1649 OD2 ASP B 38 10.852 -4.585 22.058 1.00 0.00 O1- ATOM 0 H ASP B 38 13.216 -1.231 20.732 1.00 0.00 H new ATOM 0 HA ASP B 38 11.748 -0.609 22.136 1.00 0.00 H new ATOM 0 HB2 ASP B 38 12.239 -3.197 23.656 1.00 0.00 H new ATOM 0 HB3 ASP B 38 10.792 -2.211 23.728 1.00 0.00 H new ATOM 1654 N GLU B 39 14.092 0.177 23.737 1.00 0.00 N ATOM 1655 CA GLU B 39 14.599 1.090 24.769 1.00 0.00 C ATOM 1656 C GLU B 39 13.945 2.481 24.635 1.00 0.00 C ATOM 1657 O GLU B 39 13.962 3.095 23.564 1.00 0.00 O ATOM 1658 CB GLU B 39 16.140 1.167 24.709 1.00 0.00 C ATOM 1659 CG GLU B 39 16.780 1.900 25.895 1.00 0.00 C ATOM 1660 CD GLU B 39 16.626 1.188 27.259 1.00 0.00 C ATOM 1661 OE1 GLU B 39 16.332 -0.035 27.314 1.00 0.00 O ATOM 1662 OE2 GLU B 39 16.826 1.852 28.304 1.00 0.00 O1- ATOM 0 H GLU B 39 14.707 0.088 22.928 1.00 0.00 H new ATOM 0 HA GLU B 39 14.328 0.700 25.750 1.00 0.00 H new ATOM 0 HB2 GLU B 39 16.542 0.155 24.663 1.00 0.00 H new ATOM 0 HB3 GLU B 39 16.432 1.668 23.786 1.00 0.00 H new ATOM 0 HG2 GLU B 39 17.842 2.035 25.690 1.00 0.00 H new ATOM 0 HG3 GLU B 39 16.340 2.895 25.969 1.00 0.00 H new ATOM 1669 N GLU B 40 13.360 2.982 25.724 1.00 0.00 N ATOM 1670 CA GLU B 40 12.747 4.315 25.807 1.00 0.00 C ATOM 1671 C GLU B 40 13.695 5.327 26.462 1.00 0.00 C ATOM 1672 O GLU B 40 14.377 5.017 27.442 1.00 0.00 O ATOM 1673 CB GLU B 40 11.426 4.248 26.589 1.00 0.00 C ATOM 1674 CG GLU B 40 10.340 3.473 25.830 1.00 0.00 C ATOM 1675 CD GLU B 40 9.041 3.312 26.648 1.00 0.00 C ATOM 1676 OE1 GLU B 40 9.092 3.069 27.878 1.00 0.00 O ATOM 1677 OE2 GLU B 40 7.937 3.391 26.048 1.00 0.00 O1- ATOM 0 H GLU B 40 13.296 2.460 26.598 1.00 0.00 H new ATOM 0 HA GLU B 40 12.544 4.651 24.790 1.00 0.00 H new ATOM 0 HB2 GLU B 40 11.601 3.773 27.554 1.00 0.00 H new ATOM 0 HB3 GLU B 40 11.074 5.260 26.791 1.00 0.00 H new ATOM 0 HG2 GLU B 40 10.115 3.990 24.897 1.00 0.00 H new ATOM 0 HG3 GLU B 40 10.722 2.487 25.564 1.00 0.00 H new ATOM 1684 N HIS B 41 13.682 6.561 25.956 1.00 0.00 N ATOM 1685 CA HIS B 41 14.465 7.694 26.473 1.00 0.00 C ATOM 1686 C HIS B 41 13.600 8.960 26.568 1.00 0.00 C ATOM 1687 O HIS B 41 12.658 9.128 25.788 1.00 0.00 O ATOM 1688 CB HIS B 41 15.693 7.952 25.583 1.00 0.00 C ATOM 1689 CG HIS B 41 16.523 6.741 25.225 1.00 0.00 C ATOM 1690 ND1 HIS B 41 17.572 6.214 25.985 1.00 0.00 N ATOM 1691 CD2 HIS B 41 16.386 6.002 24.086 1.00 0.00 C ATOM 1692 CE1 HIS B 41 18.043 5.170 25.279 1.00 0.00 C ATOM 1693 NE2 HIS B 41 17.345 5.017 24.137 1.00 0.00 N ATOM 0 H HIS B 41 13.110 6.812 25.150 1.00 0.00 H new ATOM 0 HA HIS B 41 14.808 7.438 27.475 1.00 0.00 H new ATOM 0 HB2 HIS B 41 15.354 8.421 24.659 1.00 0.00 H new ATOM 0 HB3 HIS B 41 16.337 8.672 26.088 1.00 0.00 H new ATOM 0 HD2 HIS B 41 15.665 6.160 23.298 1.00 0.00 H new ATOM 0 HE1 HIS B 41 18.866 4.542 25.585 1.00 0.00 H new ATOM 0 HE2 HIS B 41 17.501 4.296 23.432 1.00 0.00 H new ATOM 1701 N ALA B 42 13.918 9.861 27.501 1.00 0.00 N ATOM 1702 CA ALA B 42 13.174 11.102 27.742 1.00 0.00 C ATOM 1703 C ALA B 42 14.088 12.251 28.215 1.00 0.00 C ATOM 1704 O ALA B 42 15.015 12.035 28.999 1.00 0.00 O ATOM 1705 CB ALA B 42 12.047 10.820 28.743 1.00 0.00 C ATOM 0 H ALA B 42 14.717 9.746 28.124 1.00 0.00 H new ATOM 0 HA ALA B 42 12.742 11.440 26.800 1.00 0.00 H new ATOM 0 HB1 ALA B 42 11.488 11.737 28.929 1.00 0.00 H new ATOM 0 HB2 ALA B 42 11.378 10.063 28.334 1.00 0.00 H new ATOM 0 HB3 ALA B 42 12.474 10.459 29.679 1.00 0.00 H new ATOM 1711 N PHE B 43 13.807 13.467 27.742 1.00 0.00 N ATOM 1712 CA PHE B 43 14.657 14.655 27.896 1.00 0.00 C ATOM 1713 C PHE B 43 13.804 15.925 28.130 1.00 0.00 C ATOM 1714 O PHE B 43 13.320 16.537 27.165 1.00 0.00 O ATOM 1715 CB PHE B 43 15.553 14.796 26.655 1.00 0.00 C ATOM 1716 CG PHE B 43 16.423 13.580 26.375 1.00 0.00 C ATOM 1717 CD1 PHE B 43 17.630 13.396 27.072 1.00 0.00 C ATOM 1718 CD2 PHE B 43 15.993 12.611 25.450 1.00 0.00 C ATOM 1719 CE1 PHE B 43 18.398 12.241 26.858 1.00 0.00 C ATOM 1720 CE2 PHE B 43 16.759 11.453 25.236 1.00 0.00 C ATOM 1721 CZ PHE B 43 17.955 11.262 25.953 1.00 0.00 C ATOM 0 H PHE B 43 12.951 13.661 27.222 1.00 0.00 H new ATOM 0 HA PHE B 43 15.289 14.535 28.776 1.00 0.00 H new ATOM 0 HB2 PHE B 43 14.924 14.987 25.786 1.00 0.00 H new ATOM 0 HB3 PHE B 43 16.195 15.668 26.781 1.00 0.00 H new ATOM 0 HD1 PHE B 43 17.967 14.145 27.773 1.00 0.00 H new ATOM 0 HD2 PHE B 43 15.073 12.758 24.904 1.00 0.00 H new ATOM 0 HE1 PHE B 43 19.329 12.105 27.389 1.00 0.00 H new ATOM 0 HE2 PHE B 43 16.431 10.711 24.523 1.00 0.00 H new ATOM 0 HZ PHE B 43 18.533 10.361 25.807 1.00 0.00 H new ATOM 1731 N PRO B 44 13.597 16.336 29.397 1.00 0.00 N ATOM 1732 CA PRO B 44 12.901 17.576 29.734 1.00 0.00 C ATOM 1733 C PRO B 44 13.641 18.829 29.255 1.00 0.00 C ATOM 1734 O PRO B 44 14.872 18.871 29.188 1.00 0.00 O ATOM 1735 CB PRO B 44 12.721 17.562 31.254 1.00 0.00 C ATOM 1736 CG PRO B 44 12.827 16.082 31.620 1.00 0.00 C ATOM 1737 CD PRO B 44 13.847 15.569 30.608 1.00 0.00 C ATOM 0 HA PRO B 44 11.940 17.621 29.221 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.489 18.153 31.753 1.00 0.00 H new ATOM 0 HB3 PRO B 44 11.757 17.978 31.547 1.00 0.00 H new ATOM 0 HG2 PRO B 44 13.166 15.940 32.646 1.00 0.00 H new ATOM 0 HG3 PRO B 44 11.869 15.570 31.527 1.00 0.00 H new ATOM 0 HD2 PRO B 44 14.866 15.717 30.965 1.00 0.00 H new ATOM 0 HD3 PRO B 44 13.724 14.501 30.431 1.00 0.00 H new ATOM 1745 N GLY B 45 12.874 19.869 28.932 1.00 0.00 N ATOM 1746 CA GLY B 45 13.350 21.184 28.482 1.00 0.00 C ATOM 1747 C GLY B 45 13.669 21.281 26.985 1.00 0.00 C ATOM 1748 O GLY B 45 14.070 22.348 26.518 1.00 0.00 O ATOM 0 H GLY B 45 11.856 19.820 28.978 1.00 0.00 H new ATOM 0 HA2 GLY B 45 12.594 21.930 28.726 1.00 0.00 H new ATOM 0 HA3 GLY B 45 14.246 21.442 29.046 1.00 0.00 H new ATOM 1752 N LEU B 46 13.488 20.192 26.218 1.00 0.00 N ATOM 1753 CA LEU B 46 13.731 20.126 24.772 1.00 0.00 C ATOM 1754 C LEU B 46 12.453 20.212 23.914 1.00 0.00 C ATOM 1755 O LEU B 46 11.335 19.984 24.385 1.00 0.00 O ATOM 1756 CB LEU B 46 14.524 18.850 24.425 1.00 0.00 C ATOM 1757 CG LEU B 46 15.876 18.659 25.140 1.00 0.00 C ATOM 1758 CD1 LEU B 46 16.610 17.472 24.519 1.00 0.00 C ATOM 1759 CD2 LEU B 46 16.808 19.866 25.018 1.00 0.00 C ATOM 0 H LEU B 46 13.158 19.307 26.603 1.00 0.00 H new ATOM 0 HA LEU B 46 14.316 21.012 24.524 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.896 17.988 24.649 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.704 18.843 23.350 1.00 0.00 H new ATOM 0 HG LEU B 46 15.640 18.508 26.194 1.00 0.00 H new ATOM 0 HD11 LEU B 46 17.567 17.333 25.021 1.00 0.00 H new ATOM 0 HD12 LEU B 46 16.006 16.571 24.632 1.00 0.00 H new ATOM 0 HD13 LEU B 46 16.781 17.664 23.460 1.00 0.00 H new ATOM 0 HD21 LEU B 46 17.740 19.661 25.545 1.00 0.00 H new ATOM 0 HD22 LEU B 46 17.020 20.057 23.966 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.329 20.741 25.456 1.00 0.00 H new ATOM 1771 N ALA B 47 12.662 20.479 22.624 1.00 0.00 N ATOM 1772 CA ALA B 47 11.741 20.324 21.499 1.00 0.00 C ATOM 1773 C ALA B 47 12.512 19.865 20.239 1.00 0.00 C ATOM 1774 O ALA B 47 13.739 20.008 20.163 1.00 0.00 O ATOM 1775 CB ALA B 47 10.997 21.652 21.290 1.00 0.00 C ATOM 0 H ALA B 47 13.563 20.842 22.313 1.00 0.00 H new ATOM 0 HA ALA B 47 11.002 19.551 21.707 1.00 0.00 H new ATOM 0 HB1 ALA B 47 10.305 21.554 20.454 1.00 0.00 H new ATOM 0 HB2 ALA B 47 10.441 21.904 22.193 1.00 0.00 H new ATOM 0 HB3 ALA B 47 11.716 22.442 21.075 1.00 0.00 H new ATOM 1781 N ILE B 48 11.822 19.299 19.246 1.00 0.00 N ATOM 1782 CA ILE B 48 12.436 18.906 17.966 1.00 0.00 C ATOM 1783 C ILE B 48 12.730 20.169 17.131 1.00 0.00 C ATOM 1784 O ILE B 48 11.819 20.938 16.816 1.00 0.00 O ATOM 1785 CB ILE B 48 11.548 17.885 17.207 1.00 0.00 C ATOM 1786 CG1 ILE B 48 11.272 16.598 18.029 1.00 0.00 C ATOM 1787 CG2 ILE B 48 12.198 17.515 15.855 1.00 0.00 C ATOM 1788 CD1 ILE B 48 10.043 15.817 17.544 1.00 0.00 C ATOM 0 H ILE B 48 10.823 19.099 19.302 1.00 0.00 H new ATOM 0 HA ILE B 48 13.382 18.399 18.157 1.00 0.00 H new ATOM 0 HB ILE B 48 10.586 18.369 17.037 1.00 0.00 H new ATOM 0 HG12 ILE B 48 12.147 15.950 17.981 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.132 16.867 19.076 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.566 16.798 15.331 1.00 0.00 H new ATOM 0 HG22 ILE B 48 12.309 18.413 15.247 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.179 17.073 16.032 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.908 14.930 18.162 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.158 16.449 17.618 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.189 15.517 16.506 1.00 0.00 H new ATOM 1800 N GLY B 49 14.003 20.399 16.787 1.00 0.00 N ATOM 1801 CA GLY B 49 14.486 21.623 16.121 1.00 0.00 C ATOM 1802 C GLY B 49 14.640 21.500 14.602 1.00 0.00 C ATOM 1803 O GLY B 49 14.227 22.398 13.862 1.00 0.00 O ATOM 0 H GLY B 49 14.747 19.725 16.967 1.00 0.00 H new ATOM 0 HA2 GLY B 49 13.795 22.437 16.339 1.00 0.00 H new ATOM 0 HA3 GLY B 49 15.449 21.899 16.550 1.00 0.00 H new ATOM 1807 N ARG B 50 15.205 20.385 14.123 1.00 0.00 N ATOM 1808 CA ARG B 50 15.476 20.127 12.696 1.00 0.00 C ATOM 1809 C ARG B 50 15.396 18.634 12.380 1.00 0.00 C ATOM 1810 O ARG B 50 15.824 17.807 13.188 1.00 0.00 O ATOM 1811 CB ARG B 50 16.843 20.748 12.323 1.00 0.00 C ATOM 1812 CG ARG B 50 17.352 20.398 10.914 1.00 0.00 C ATOM 1813 CD ARG B 50 18.654 21.146 10.597 1.00 0.00 C ATOM 1814 NE ARG B 50 19.194 20.744 9.287 1.00 0.00 N ATOM 1815 CZ ARG B 50 19.979 19.722 9.019 1.00 0.00 C ATOM 1816 NH1 ARG B 50 20.477 18.944 9.938 1.00 0.00 N1+ ATOM 1817 NH2 ARG B 50 20.265 19.431 7.786 1.00 0.00 N ATOM 0 H ARG B 50 15.495 19.617 14.728 1.00 0.00 H new ATOM 0 HA ARG B 50 14.710 20.601 12.082 1.00 0.00 H new ATOM 0 HB2 ARG B 50 16.768 21.832 12.407 1.00 0.00 H new ATOM 0 HB3 ARG B 50 17.585 20.422 13.052 1.00 0.00 H new ATOM 0 HG2 ARG B 50 17.519 19.323 10.840 1.00 0.00 H new ATOM 0 HG3 ARG B 50 16.592 20.654 10.175 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.470 22.220 10.603 1.00 0.00 H new ATOM 0 HD3 ARG B 50 19.391 20.944 11.374 1.00 0.00 H new ATOM 0 HE ARG B 50 18.928 21.327 8.493 1.00 0.00 H new ATOM 0 HH11 ARG B 50 20.263 19.114 10.921 1.00 0.00 H new ATOM 0 HH12 ARG B 50 21.081 18.165 9.675 1.00 0.00 H new ATOM 0 HH21 ARG B 50 19.881 19.994 7.027 1.00 0.00 H new ATOM 0 HH22 ARG B 50 20.873 18.639 7.577 1.00 0.00 H new ATOM 1831 N VAL B 51 14.877 18.301 11.203 1.00 0.00 N ATOM 1832 CA VAL B 51 14.755 16.927 10.682 1.00 0.00 C ATOM 1833 C VAL B 51 15.289 16.891 9.247 1.00 0.00 C ATOM 1834 O VAL B 51 14.881 17.684 8.401 1.00 0.00 O ATOM 1835 CB VAL B 51 13.299 16.421 10.759 1.00 0.00 C ATOM 1836 CG1 VAL B 51 13.191 14.957 10.324 1.00 0.00 C ATOM 1837 CG2 VAL B 51 12.728 16.544 12.182 1.00 0.00 C ATOM 0 H VAL B 51 14.514 19.000 10.555 1.00 0.00 H new ATOM 0 HA VAL B 51 15.349 16.254 11.301 1.00 0.00 H new ATOM 0 HB VAL B 51 12.723 17.050 10.081 1.00 0.00 H new ATOM 0 HG11 VAL B 51 12.152 14.633 10.390 1.00 0.00 H new ATOM 0 HG12 VAL B 51 13.537 14.857 9.295 1.00 0.00 H new ATOM 0 HG13 VAL B 51 13.807 14.337 10.976 1.00 0.00 H new ATOM 0 HG21 VAL B 51 11.701 16.178 12.195 1.00 0.00 H new ATOM 0 HG22 VAL B 51 13.333 15.953 12.869 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.744 17.589 12.492 1.00 0.00 H new ATOM 1847 N ASP B 52 16.228 15.989 8.985 1.00 0.00 N ATOM 1848 CA ASP B 52 17.050 15.941 7.769 1.00 0.00 C ATOM 1849 C ASP B 52 16.948 14.558 7.112 1.00 0.00 C ATOM 1850 O ASP B 52 17.499 13.580 7.616 1.00 0.00 O ATOM 1851 CB ASP B 52 18.480 16.317 8.180 1.00 0.00 C ATOM 1852 CG ASP B 52 19.538 16.259 7.075 1.00 0.00 C ATOM 1853 OD1 ASP B 52 19.260 15.726 5.978 1.00 0.00 O ATOM 1854 OD2 ASP B 52 20.677 16.721 7.327 1.00 0.00 O1- ATOM 0 H ASP B 52 16.451 15.237 9.638 1.00 0.00 H new ATOM 0 HA ASP B 52 16.704 16.647 7.014 1.00 0.00 H new ATOM 0 HB2 ASP B 52 18.465 17.328 8.587 1.00 0.00 H new ATOM 0 HB3 ASP B 52 18.790 15.653 8.987 1.00 0.00 H new ATOM 1859 N LEU B 53 16.221 14.471 5.993 1.00 0.00 N ATOM 1860 CA LEU B 53 15.987 13.221 5.262 1.00 0.00 C ATOM 1861 C LEU B 53 17.159 12.845 4.334 1.00 0.00 C ATOM 1862 O LEU B 53 17.204 11.718 3.832 1.00 0.00 O ATOM 1863 CB LEU B 53 14.654 13.286 4.481 1.00 0.00 C ATOM 1864 CG LEU B 53 13.348 13.461 5.293 1.00 0.00 C ATOM 1865 CD1 LEU B 53 13.277 12.523 6.499 1.00 0.00 C ATOM 1866 CD2 LEU B 53 13.072 14.886 5.771 1.00 0.00 C ATOM 0 H LEU B 53 15.772 15.280 5.563 1.00 0.00 H new ATOM 0 HA LEU B 53 15.916 12.427 6.005 1.00 0.00 H new ATOM 0 HB2 LEU B 53 14.721 14.112 3.773 1.00 0.00 H new ATOM 0 HB3 LEU B 53 14.564 12.371 3.896 1.00 0.00 H new ATOM 0 HG LEU B 53 12.575 13.202 4.570 1.00 0.00 H new ATOM 0 HD11 LEU B 53 12.341 12.687 7.033 1.00 0.00 H new ATOM 0 HD12 LEU B 53 13.324 11.489 6.159 1.00 0.00 H new ATOM 0 HD13 LEU B 53 14.115 12.724 7.166 1.00 0.00 H new ATOM 0 HD21 LEU B 53 12.136 14.908 6.330 1.00 0.00 H new ATOM 0 HD22 LEU B 53 13.887 15.218 6.414 1.00 0.00 H new ATOM 0 HD23 LEU B 53 12.996 15.550 4.910 1.00 0.00 H new ATOM 1878 N ARG B 54 18.117 13.758 4.112 1.00 0.00 N ATOM 1879 CA ARG B 54 19.332 13.532 3.307 1.00 0.00 C ATOM 1880 C ARG B 54 20.400 12.793 4.120 1.00 0.00 C ATOM 1881 O ARG B 54 21.019 11.857 3.610 1.00 0.00 O ATOM 1882 CB ARG B 54 19.879 14.880 2.790 1.00 0.00 C ATOM 1883 CG ARG B 54 18.847 15.700 1.989 1.00 0.00 C ATOM 1884 CD ARG B 54 19.391 17.074 1.567 1.00 0.00 C ATOM 1885 NE ARG B 54 19.630 17.967 2.728 1.00 0.00 N ATOM 1886 CZ ARG B 54 20.782 18.451 3.165 1.00 0.00 C ATOM 1887 NH1 ARG B 54 21.920 18.151 2.613 1.00 0.00 N1+ ATOM 1888 NH2 ARG B 54 20.804 19.269 4.177 1.00 0.00 N ATOM 0 H ARG B 54 18.068 14.701 4.497 1.00 0.00 H new ATOM 0 HA ARG B 54 19.070 12.906 2.454 1.00 0.00 H new ATOM 0 HB2 ARG B 54 20.222 15.473 3.638 1.00 0.00 H new ATOM 0 HB3 ARG B 54 20.749 14.692 2.160 1.00 0.00 H new ATOM 0 HG2 ARG B 54 18.553 15.140 1.101 1.00 0.00 H new ATOM 0 HG3 ARG B 54 17.949 15.837 2.592 1.00 0.00 H new ATOM 0 HD2 ARG B 54 20.322 16.940 1.017 1.00 0.00 H new ATOM 0 HD3 ARG B 54 18.684 17.548 0.886 1.00 0.00 H new ATOM 0 HE ARG B 54 18.802 18.243 3.256 1.00 0.00 H new ATOM 0 HH11 ARG B 54 21.948 17.520 1.812 1.00 0.00 H new ATOM 0 HH12 ARG B 54 22.785 18.546 2.981 1.00 0.00 H new ATOM 0 HH21 ARG B 54 19.933 19.538 4.634 1.00 0.00 H new ATOM 0 HH22 ARG B 54 21.692 19.641 4.513 1.00 0.00 H new ATOM 1902 N SER B 55 20.596 13.197 5.380 1.00 0.00 N ATOM 1903 CA SER B 55 21.561 12.604 6.324 1.00 0.00 C ATOM 1904 C SER B 55 20.933 11.616 7.332 1.00 0.00 C ATOM 1905 O SER B 55 21.631 10.787 7.921 1.00 0.00 O ATOM 1906 CB SER B 55 22.281 13.747 7.057 1.00 0.00 C ATOM 1907 OG SER B 55 23.410 13.285 7.787 1.00 0.00 O ATOM 0 H SER B 55 20.072 13.971 5.788 1.00 0.00 H new ATOM 0 HA SER B 55 22.263 12.004 5.745 1.00 0.00 H new ATOM 0 HB2 SER B 55 22.600 14.497 6.334 1.00 0.00 H new ATOM 0 HB3 SER B 55 21.585 14.236 7.738 1.00 0.00 H new ATOM 0 HG SER B 55 23.841 14.042 8.237 1.00 0.00 H new ATOM 1913 N GLY B 56 19.611 11.676 7.529 1.00 0.00 N ATOM 1914 CA GLY B 56 18.872 10.877 8.518 1.00 0.00 C ATOM 1915 C GLY B 56 18.926 11.436 9.950 1.00 0.00 C ATOM 1916 O GLY B 56 18.671 10.698 10.901 1.00 0.00 O ATOM 0 H GLY B 56 19.008 12.298 6.991 1.00 0.00 H new ATOM 0 HA2 GLY B 56 17.830 10.808 8.206 1.00 0.00 H new ATOM 0 HA3 GLY B 56 19.272 9.863 8.521 1.00 0.00 H new ATOM 1920 N VAL B 57 19.302 12.710 10.121 1.00 0.00 N ATOM 1921 CA VAL B 57 19.501 13.366 11.425 1.00 0.00 C ATOM 1922 C VAL B 57 18.206 13.976 11.976 1.00 0.00 C ATOM 1923 O VAL B 57 17.431 14.593 11.240 1.00 0.00 O ATOM 1924 CB VAL B 57 20.631 14.408 11.337 1.00 0.00 C ATOM 1925 CG1 VAL B 57 20.790 15.257 12.603 1.00 0.00 C ATOM 1926 CG2 VAL B 57 21.983 13.716 11.095 1.00 0.00 C ATOM 0 H VAL B 57 19.482 13.333 9.334 1.00 0.00 H new ATOM 0 HA VAL B 57 19.801 12.597 12.137 1.00 0.00 H new ATOM 0 HB VAL B 57 20.348 15.060 10.511 1.00 0.00 H new ATOM 0 HG11 VAL B 57 21.605 15.967 12.465 1.00 0.00 H new ATOM 0 HG12 VAL B 57 19.865 15.800 12.796 1.00 0.00 H new ATOM 0 HG13 VAL B 57 21.014 14.609 13.450 1.00 0.00 H new ATOM 0 HG21 VAL B 57 22.771 14.467 11.035 1.00 0.00 H new ATOM 0 HG22 VAL B 57 22.194 13.033 11.918 1.00 0.00 H new ATOM 0 HG23 VAL B 57 21.943 13.157 10.160 1.00 0.00 H new ATOM 1936 N ILE B 58 18.008 13.846 13.288 1.00 0.00 N ATOM 1937 CA ILE B 58 16.981 14.524 14.091 1.00 0.00 C ATOM 1938 C ILE B 58 17.692 15.347 15.175 1.00 0.00 C ATOM 1939 O ILE B 58 18.217 14.805 16.150 1.00 0.00 O ATOM 1940 CB ILE B 58 15.995 13.484 14.680 1.00 0.00 C ATOM 1941 CG1 ILE B 58 15.208 12.746 13.567 1.00 0.00 C ATOM 1942 CG2 ILE B 58 15.025 14.119 15.692 1.00 0.00 C ATOM 1943 CD1 ILE B 58 14.479 11.487 14.058 1.00 0.00 C ATOM 0 H ILE B 58 18.592 13.230 13.854 1.00 0.00 H new ATOM 0 HA ILE B 58 16.385 15.201 13.479 1.00 0.00 H new ATOM 0 HB ILE B 58 16.601 12.750 15.212 1.00 0.00 H new ATOM 0 HG12 ILE B 58 14.479 13.431 13.134 1.00 0.00 H new ATOM 0 HG13 ILE B 58 15.898 12.468 12.770 1.00 0.00 H new ATOM 0 HG21 ILE B 58 14.352 13.354 16.080 1.00 0.00 H new ATOM 0 HG22 ILE B 58 15.592 14.555 16.515 1.00 0.00 H new ATOM 0 HG23 ILE B 58 14.444 14.898 15.199 1.00 0.00 H new ATOM 0 HD11 ILE B 58 13.951 11.024 13.225 1.00 0.00 H new ATOM 0 HD12 ILE B 58 15.204 10.782 14.464 1.00 0.00 H new ATOM 0 HD13 ILE B 58 13.764 11.760 14.834 1.00 0.00 H new ATOM 1955 N SER B 59 17.727 16.666 15.012 1.00 0.00 N ATOM 1956 CA SER B 59 18.371 17.601 15.951 1.00 0.00 C ATOM 1957 C SER B 59 17.353 18.119 16.969 1.00 0.00 C ATOM 1958 O SER B 59 16.368 18.768 16.595 1.00 0.00 O ATOM 1959 CB SER B 59 18.994 18.791 15.216 1.00 0.00 C ATOM 1960 OG SER B 59 19.847 18.381 14.154 1.00 0.00 O ATOM 0 H SER B 59 17.302 17.132 14.210 1.00 0.00 H new ATOM 0 HA SER B 59 19.162 17.054 16.465 1.00 0.00 H new ATOM 0 HB2 SER B 59 18.202 19.426 14.819 1.00 0.00 H new ATOM 0 HB3 SER B 59 19.562 19.395 15.923 1.00 0.00 H new ATOM 0 HG SER B 59 20.221 19.171 13.712 1.00 0.00 H new ATOM 1966 N LEU B 60 17.582 17.869 18.260 1.00 0.00 N ATOM 1967 CA LEU B 60 16.802 18.453 19.358 1.00 0.00 C ATOM 1968 C LEU B 60 17.438 19.762 19.850 1.00 0.00 C ATOM 1969 O LEU B 60 18.667 19.910 19.849 1.00 0.00 O ATOM 1970 CB LEU B 60 16.631 17.439 20.504 1.00 0.00 C ATOM 1971 CG LEU B 60 16.118 16.047 20.083 1.00 0.00 C ATOM 1972 CD1 LEU B 60 15.872 15.202 21.339 1.00 0.00 C ATOM 1973 CD2 LEU B 60 14.810 16.118 19.293 1.00 0.00 C ATOM 0 H LEU B 60 18.325 17.247 18.579 1.00 0.00 H new ATOM 0 HA LEU B 60 15.809 18.696 18.981 1.00 0.00 H new ATOM 0 HB2 LEU B 60 17.591 17.318 21.006 1.00 0.00 H new ATOM 0 HB3 LEU B 60 15.940 17.856 21.236 1.00 0.00 H new ATOM 0 HG LEU B 60 16.879 15.603 19.441 1.00 0.00 H new ATOM 0 HD11 LEU B 60 15.509 14.216 21.049 1.00 0.00 H new ATOM 0 HD12 LEU B 60 16.804 15.097 21.895 1.00 0.00 H new ATOM 0 HD13 LEU B 60 15.128 15.692 21.967 1.00 0.00 H new ATOM 0 HD21 LEU B 60 14.494 15.111 19.022 1.00 0.00 H new ATOM 0 HD22 LEU B 60 14.040 16.588 19.905 1.00 0.00 H new ATOM 0 HD23 LEU B 60 14.963 16.706 18.388 1.00 0.00 H new ATOM 1985 N ILE B 61 16.596 20.697 20.294 1.00 0.00 N ATOM 1986 CA ILE B 61 16.968 22.033 20.803 1.00 0.00 C ATOM 1987 C ILE B 61 16.186 22.349 22.085 1.00 0.00 C ATOM 1988 O ILE B 61 15.166 21.719 22.357 1.00 0.00 O ATOM 1989 CB ILE B 61 16.788 23.121 19.711 1.00 0.00 C ATOM 1990 CG1 ILE B 61 15.372 23.218 19.094 1.00 0.00 C ATOM 1991 CG2 ILE B 61 17.813 22.910 18.582 1.00 0.00 C ATOM 1992 CD1 ILE B 61 14.347 24.012 19.909 1.00 0.00 C ATOM 0 H ILE B 61 15.588 20.543 20.312 1.00 0.00 H new ATOM 0 HA ILE B 61 18.027 22.030 21.060 1.00 0.00 H new ATOM 0 HB ILE B 61 16.950 24.064 20.232 1.00 0.00 H new ATOM 0 HG12 ILE B 61 15.456 23.673 18.107 1.00 0.00 H new ATOM 0 HG13 ILE B 61 14.989 22.208 18.948 1.00 0.00 H new ATOM 0 HG21 ILE B 61 17.679 23.678 17.820 1.00 0.00 H new ATOM 0 HG22 ILE B 61 18.822 22.975 18.990 1.00 0.00 H new ATOM 0 HG23 ILE B 61 17.665 21.927 18.135 1.00 0.00 H new ATOM 0 HD11 ILE B 61 13.391 24.016 19.386 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.223 23.549 20.888 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.697 25.037 20.034 1.00 0.00 H new ATOM 2004 N GLU B 62 16.641 23.311 22.887 1.00 0.00 N ATOM 2005 CA GLU B 62 15.896 23.744 24.080 1.00 0.00 C ATOM 2006 C GLU B 62 14.618 24.520 23.706 1.00 0.00 C ATOM 2007 O GLU B 62 14.658 25.406 22.854 1.00 0.00 O ATOM 2008 CB GLU B 62 16.768 24.613 25.002 1.00 0.00 C ATOM 2009 CG GLU B 62 17.966 23.860 25.606 1.00 0.00 C ATOM 2010 CD GLU B 62 18.737 24.691 26.654 1.00 0.00 C ATOM 2011 OE1 GLU B 62 19.645 24.127 27.309 1.00 0.00 O ATOM 2012 OE2 GLU B 62 18.462 25.903 26.836 1.00 0.00 O1- ATOM 0 H GLU B 62 17.519 23.807 22.737 1.00 0.00 H new ATOM 0 HA GLU B 62 15.610 22.837 24.612 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.135 25.471 24.438 1.00 0.00 H new ATOM 0 HB3 GLU B 62 16.150 25.004 25.810 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.612 22.939 26.070 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.648 23.572 24.806 1.00 0.00 H new ATOM 2019 N GLU B 63 13.506 24.265 24.397 1.00 0.00 N ATOM 2020 CA GLU B 63 12.332 25.169 24.410 1.00 0.00 C ATOM 2021 C GLU B 63 12.385 26.187 25.578 1.00 0.00 C ATOM 2022 O GLU B 63 11.660 27.186 25.571 1.00 0.00 O ATOM 2023 CB GLU B 63 11.030 24.349 24.347 1.00 0.00 C ATOM 2024 CG GLU B 63 10.713 23.434 25.544 1.00 0.00 C ATOM 2025 CD GLU B 63 10.089 24.160 26.754 1.00 0.00 C ATOM 2026 OE1 GLU B 63 10.486 23.846 27.903 1.00 0.00 O ATOM 2027 OE2 GLU B 63 9.177 25.005 26.575 1.00 0.00 O1- ATOM 0 H GLU B 63 13.384 23.428 24.967 1.00 0.00 H new ATOM 0 HA GLU B 63 12.356 25.788 23.513 1.00 0.00 H new ATOM 0 HB2 GLU B 63 10.199 25.044 24.224 1.00 0.00 H new ATOM 0 HB3 GLU B 63 11.064 23.731 23.450 1.00 0.00 H new ATOM 0 HG2 GLU B 63 10.031 22.650 25.215 1.00 0.00 H new ATOM 0 HG3 GLU B 63 11.632 22.944 25.864 1.00 0.00 H new