USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 828 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 2 CYS SG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 160:sc= 1.24 (180deg=1.15) USER MOD Single : A 34 THR OG1 : rot -160:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.03 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl -177:sc= -0.165 (180deg=-0.181) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N CYS A 2 4.608 13.052 -0.680 1.00 0.00 N ATOM 60 CA CYS A 2 3.987 14.064 0.190 1.00 0.00 C ATOM 61 C CYS A 2 4.772 15.394 0.227 1.00 0.00 C ATOM 62 O CYS A 2 4.869 16.046 1.272 1.00 0.00 O ATOM 63 CB CYS A 2 3.809 13.493 1.597 1.00 0.00 C ATOM 64 SG CYS A 2 2.863 11.952 1.746 1.00 0.00 S ATOM 0 HA CYS A 2 3.012 14.304 -0.233 1.00 0.00 H new ATOM 0 HB2 CYS A 2 4.798 13.326 2.023 1.00 0.00 H new ATOM 0 HB3 CYS A 2 3.322 14.250 2.211 1.00 0.00 H new ATOM 0 HG CYS A 2 2.804 11.598 2.996 1.00 0.00 H new ATOM 69 N MET A 3 5.377 15.780 -0.900 1.00 0.00 N ATOM 70 CA MET A 3 6.239 16.966 -1.006 1.00 0.00 C ATOM 71 C MET A 3 5.491 18.260 -0.605 1.00 0.00 C ATOM 72 O MET A 3 4.338 18.484 -0.995 1.00 0.00 O ATOM 73 CB MET A 3 6.921 17.032 -2.388 1.00 0.00 C ATOM 74 CG MET A 3 6.083 17.590 -3.547 1.00 0.00 C ATOM 75 SD MET A 3 4.697 16.569 -4.115 1.00 0.00 S ATOM 76 CE MET A 3 4.060 17.704 -5.382 1.00 0.00 C ATOM 0 H MET A 3 5.282 15.271 -1.779 1.00 0.00 H new ATOM 0 HA MET A 3 7.046 16.873 -0.280 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.820 17.641 -2.295 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.244 16.026 -2.656 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.689 18.561 -3.246 1.00 0.00 H new ATOM 0 HG3 MET A 3 6.747 17.764 -4.394 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.189 17.260 -5.863 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.776 18.647 -4.916 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.833 17.887 -6.129 1.00 0.00 H new ATOM 86 N ALA A 4 6.143 19.083 0.219 1.00 0.00 N ATOM 87 CA ALA A 4 5.589 20.292 0.836 1.00 0.00 C ATOM 88 C ALA A 4 5.986 21.571 0.071 1.00 0.00 C ATOM 89 O ALA A 4 6.671 21.521 -0.957 1.00 0.00 O ATOM 90 CB ALA A 4 6.078 20.331 2.297 1.00 0.00 C ATOM 0 H ALA A 4 7.113 18.919 0.487 1.00 0.00 H new ATOM 0 HA ALA A 4 4.500 20.258 0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.684 21.220 2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.729 19.441 2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.167 20.359 2.315 1.00 0.00 H new ATOM 96 N LYS A 5 5.615 22.729 0.625 1.00 0.00 N ATOM 97 CA LYS A 5 6.233 24.028 0.312 1.00 0.00 C ATOM 98 C LYS A 5 6.854 24.665 1.561 1.00 0.00 C ATOM 99 O LYS A 5 6.279 24.606 2.647 1.00 0.00 O ATOM 100 CB LYS A 5 5.250 24.951 -0.426 1.00 0.00 C ATOM 101 CG LYS A 5 4.069 25.443 0.427 1.00 0.00 C ATOM 102 CD LYS A 5 3.131 26.316 -0.425 1.00 0.00 C ATOM 103 CE LYS A 5 1.974 26.925 0.381 1.00 0.00 C ATOM 104 NZ LYS A 5 2.434 27.986 1.307 1.00 0.00 N1+ ATOM 0 H LYS A 5 4.866 22.795 1.314 1.00 0.00 H new ATOM 0 HA LYS A 5 7.059 23.859 -0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.796 25.817 -0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.858 24.422 -1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.521 24.591 0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.438 26.015 1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.709 27.119 -0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.723 25.714 -1.237 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.235 27.339 -0.304 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.477 26.139 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.629 28.589 1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.835 27.551 2.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.161 28.564 0.839 1.00 0.00 H new ATOM 118 N VAL A 6 8.030 25.261 1.401 1.00 0.00 N ATOM 119 CA VAL A 6 8.723 26.042 2.443 1.00 0.00 C ATOM 120 C VAL A 6 8.329 27.514 2.348 1.00 0.00 C ATOM 121 O VAL A 6 8.155 28.036 1.243 1.00 0.00 O ATOM 122 CB VAL A 6 10.249 25.829 2.330 1.00 0.00 C ATOM 123 CG1 VAL A 6 11.099 26.902 3.028 1.00 0.00 C ATOM 124 CG2 VAL A 6 10.623 24.477 2.954 1.00 0.00 C ATOM 0 H VAL A 6 8.549 25.219 0.524 1.00 0.00 H new ATOM 0 HA VAL A 6 8.418 25.694 3.430 1.00 0.00 H new ATOM 0 HB VAL A 6 10.467 25.880 1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.156 26.671 2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.884 27.877 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.861 26.920 4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.699 24.325 2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.331 24.468 4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.104 23.677 2.426 1.00 0.00 H new ATOM 134 N VAL A 7 8.232 28.203 3.492 1.00 0.00 N ATOM 135 CA VAL A 7 8.022 29.657 3.600 1.00 0.00 C ATOM 136 C VAL A 7 9.032 30.307 4.560 1.00 0.00 C ATOM 137 O VAL A 7 9.316 29.778 5.637 1.00 0.00 O ATOM 138 CB VAL A 7 6.554 29.987 3.941 1.00 0.00 C ATOM 139 CG1 VAL A 7 6.064 29.395 5.269 1.00 0.00 C ATOM 140 CG2 VAL A 7 6.299 31.500 3.965 1.00 0.00 C ATOM 0 H VAL A 7 8.300 27.749 4.403 1.00 0.00 H new ATOM 0 HA VAL A 7 8.214 30.100 2.623 1.00 0.00 H new ATOM 0 HB VAL A 7 5.987 29.517 3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.023 29.676 5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.146 28.309 5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.674 29.780 6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.254 31.689 4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.937 31.965 4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.525 31.923 2.986 1.00 0.00 H new ATOM 150 N LEU A 8 9.574 31.464 4.156 1.00 0.00 N ATOM 151 CA LEU A 8 10.557 32.270 4.894 1.00 0.00 C ATOM 152 C LEU A 8 10.450 33.766 4.538 1.00 0.00 C ATOM 153 O LEU A 8 9.790 34.142 3.564 1.00 0.00 O ATOM 154 CB LEU A 8 11.972 31.696 4.639 1.00 0.00 C ATOM 155 CG LEU A 8 12.532 31.872 3.205 1.00 0.00 C ATOM 156 CD1 LEU A 8 13.455 33.089 3.085 1.00 0.00 C ATOM 157 CD2 LEU A 8 13.350 30.649 2.783 1.00 0.00 C ATOM 0 H LEU A 8 9.326 31.885 3.260 1.00 0.00 H new ATOM 0 HA LEU A 8 10.348 32.209 5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.664 32.167 5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.958 30.632 4.873 1.00 0.00 H new ATOM 0 HG LEU A 8 11.661 32.005 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.821 33.168 2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.902 33.992 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.299 32.974 3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.732 30.798 1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.185 30.515 3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.716 29.762 2.805 1.00 0.00 H new ATOM 265 N VAL A 16 9.312 34.986 0.807 1.00 0.00 N ATOM 266 CA VAL A 16 9.841 33.963 -0.115 1.00 0.00 C ATOM 267 C VAL A 16 9.181 32.609 0.154 1.00 0.00 C ATOM 268 O VAL A 16 8.995 32.218 1.307 1.00 0.00 O ATOM 269 CB VAL A 16 11.379 33.886 0.005 1.00 0.00 C ATOM 270 CG1 VAL A 16 12.002 32.692 -0.727 1.00 0.00 C ATOM 271 CG2 VAL A 16 12.043 35.160 -0.536 1.00 0.00 C ATOM 0 HA VAL A 16 9.601 34.245 -1.140 1.00 0.00 H new ATOM 0 HB VAL A 16 11.563 33.767 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 16 13.084 32.709 -0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.601 31.765 -0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.765 32.752 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.125 35.076 -0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 16 11.783 35.288 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 16 11.693 36.022 0.032 1.00 0.00 H new ATOM 281 N GLU A 17 8.848 31.882 -0.915 1.00 0.00 N ATOM 282 CA GLU A 17 8.306 30.517 -0.862 1.00 0.00 C ATOM 283 C GLU A 17 8.987 29.598 -1.889 1.00 0.00 C ATOM 284 O GLU A 17 9.359 30.036 -2.983 1.00 0.00 O ATOM 285 CB GLU A 17 6.779 30.518 -1.065 1.00 0.00 C ATOM 286 CG GLU A 17 6.024 31.256 0.050 1.00 0.00 C ATOM 287 CD GLU A 17 4.503 31.098 -0.086 1.00 0.00 C ATOM 288 OE1 GLU A 17 3.980 29.979 0.135 1.00 0.00 O ATOM 289 OE2 GLU A 17 3.805 32.092 -0.404 1.00 0.00 O1- ATOM 0 H GLU A 17 8.949 32.233 -1.867 1.00 0.00 H new ATOM 0 HA GLU A 17 8.519 30.123 0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.546 30.983 -2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.424 29.489 -1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.343 30.873 1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.283 32.315 0.024 1.00 0.00 H new ATOM 296 N ILE A 18 9.127 28.314 -1.550 1.00 0.00 N ATOM 297 CA ILE A 18 9.758 27.275 -2.383 1.00 0.00 C ATOM 298 C ILE A 18 8.800 26.082 -2.480 1.00 0.00 C ATOM 299 O ILE A 18 8.462 25.486 -1.457 1.00 0.00 O ATOM 300 CB ILE A 18 11.138 26.851 -1.807 1.00 0.00 C ATOM 301 CG1 ILE A 18 12.088 28.062 -1.630 1.00 0.00 C ATOM 302 CG2 ILE A 18 11.790 25.772 -2.697 1.00 0.00 C ATOM 303 CD1 ILE A 18 13.379 27.729 -0.880 1.00 0.00 C ATOM 0 H ILE A 18 8.794 27.951 -0.657 1.00 0.00 H new ATOM 0 HA ILE A 18 9.947 27.671 -3.381 1.00 0.00 H new ATOM 0 HB ILE A 18 10.962 26.429 -0.817 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.342 28.460 -2.613 1.00 0.00 H new ATOM 0 HG13 ILE A 18 11.560 28.851 -1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.755 25.488 -2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.142 24.897 -2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.934 26.168 -3.702 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.992 28.626 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.136 27.360 0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 18 13.930 26.963 -1.426 1.00 0.00 H new ATOM 315 N GLY A 19 8.347 25.748 -3.689 1.00 0.00 N ATOM 316 CA GLY A 19 7.438 24.625 -3.953 1.00 0.00 C ATOM 317 C GLY A 19 8.140 23.279 -4.173 1.00 0.00 C ATOM 318 O GLY A 19 9.351 23.229 -4.400 1.00 0.00 O ATOM 0 H GLY A 19 8.606 26.260 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.747 24.528 -3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.840 24.857 -4.834 1.00 0.00 H new ATOM 322 N ASP A 20 7.367 22.188 -4.143 1.00 0.00 N ATOM 323 CA ASP A 20 7.813 20.814 -4.428 1.00 0.00 C ATOM 324 C ASP A 20 9.021 20.348 -3.584 1.00 0.00 C ATOM 325 O ASP A 20 9.906 19.646 -4.073 1.00 0.00 O ATOM 326 CB ASP A 20 7.995 20.588 -5.939 1.00 0.00 C ATOM 327 CG ASP A 20 6.781 20.988 -6.798 1.00 0.00 C ATOM 328 OD1 ASP A 20 5.624 20.916 -6.321 1.00 0.00 O ATOM 329 OD2 ASP A 20 6.981 21.360 -7.981 1.00 0.00 O1- ATOM 0 H ASP A 20 6.375 22.237 -3.911 1.00 0.00 H new ATOM 0 HA ASP A 20 7.006 20.159 -4.100 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.864 21.154 -6.276 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.214 19.534 -6.112 1.00 0.00 H new ATOM 334 N VAL A 21 9.079 20.760 -2.314 1.00 0.00 N ATOM 335 CA VAL A 21 10.145 20.410 -1.360 1.00 0.00 C ATOM 336 C VAL A 21 9.959 18.980 -0.861 1.00 0.00 C ATOM 337 O VAL A 21 8.940 18.670 -0.242 1.00 0.00 O ATOM 338 CB VAL A 21 10.163 21.401 -0.178 1.00 0.00 C ATOM 339 CG1 VAL A 21 11.186 21.001 0.892 1.00 0.00 C ATOM 340 CG2 VAL A 21 10.515 22.806 -0.689 1.00 0.00 C ATOM 0 H VAL A 21 8.366 21.364 -1.906 1.00 0.00 H new ATOM 0 HA VAL A 21 11.105 20.476 -1.873 1.00 0.00 H new ATOM 0 HB VAL A 21 9.170 21.388 0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.165 21.726 1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.939 20.013 1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.183 20.979 0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.527 23.505 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.498 22.786 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.770 23.125 -1.418 1.00 0.00 H new ATOM 350 N LEU A 22 10.936 18.105 -1.110 1.00 0.00 N ATOM 351 CA LEU A 22 10.908 16.689 -0.717 1.00 0.00 C ATOM 352 C LEU A 22 11.487 16.464 0.692 1.00 0.00 C ATOM 353 O LEU A 22 11.005 15.600 1.429 1.00 0.00 O ATOM 354 CB LEU A 22 11.644 15.892 -1.814 1.00 0.00 C ATOM 355 CG LEU A 22 11.547 14.359 -1.688 1.00 0.00 C ATOM 356 CD1 LEU A 22 11.617 13.718 -3.075 1.00 0.00 C ATOM 357 CD2 LEU A 22 12.681 13.740 -0.866 1.00 0.00 C ATOM 0 H LEU A 22 11.791 18.365 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 22 9.880 16.335 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.245 16.187 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.696 16.176 -1.803 1.00 0.00 H new ATOM 0 HG LEU A 22 10.600 14.168 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.548 12.634 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.791 14.082 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.562 13.981 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.548 12.659 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.638 13.968 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.665 14.151 0.143 1.00 0.00 H new ATOM 369 N GLU A 23 12.493 17.247 1.092 1.00 0.00 N ATOM 370 CA GLU A 23 13.115 17.166 2.421 1.00 0.00 C ATOM 371 C GLU A 23 13.737 18.499 2.867 1.00 0.00 C ATOM 372 O GLU A 23 14.125 19.334 2.047 1.00 0.00 O ATOM 373 CB GLU A 23 14.150 16.019 2.470 1.00 0.00 C ATOM 374 CG GLU A 23 15.348 16.227 1.533 1.00 0.00 C ATOM 375 CD GLU A 23 16.422 15.146 1.706 1.00 0.00 C ATOM 376 OE1 GLU A 23 16.136 13.942 1.488 1.00 0.00 O ATOM 377 OE2 GLU A 23 17.579 15.506 2.037 1.00 0.00 O1- ATOM 0 H GLU A 23 12.905 17.965 0.496 1.00 0.00 H new ATOM 0 HA GLU A 23 12.319 16.946 3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.514 15.913 3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.655 15.084 2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.001 16.228 0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.788 17.206 1.723 1.00 0.00 H new ATOM 384 N VAL A 24 13.860 18.683 4.184 1.00 0.00 N ATOM 385 CA VAL A 24 14.464 19.859 4.839 1.00 0.00 C ATOM 386 C VAL A 24 15.375 19.418 5.991 1.00 0.00 C ATOM 387 O VAL A 24 15.066 18.461 6.704 1.00 0.00 O ATOM 388 CB VAL A 24 13.389 20.863 5.319 1.00 0.00 C ATOM 389 CG1 VAL A 24 13.988 22.127 5.950 1.00 0.00 C ATOM 390 CG2 VAL A 24 12.503 21.327 4.158 1.00 0.00 C ATOM 0 H VAL A 24 13.529 17.991 4.856 1.00 0.00 H new ATOM 0 HA VAL A 24 15.074 20.380 4.101 1.00 0.00 H new ATOM 0 HB VAL A 24 12.812 20.319 6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.184 22.792 6.266 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.592 21.851 6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.614 22.638 5.218 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.758 22.031 4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.119 21.814 3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.001 20.466 3.717 1.00 0.00 H new ATOM 400 N ARG A 25 16.505 20.108 6.174 1.00 0.00 N ATOM 401 CA ARG A 25 17.557 19.814 7.167 1.00 0.00 C ATOM 402 C ARG A 25 18.053 21.090 7.851 1.00 0.00 C ATOM 403 O ARG A 25 17.985 22.173 7.275 1.00 0.00 O ATOM 404 CB ARG A 25 18.712 19.064 6.468 1.00 0.00 C ATOM 405 CG ARG A 25 18.404 17.570 6.273 1.00 0.00 C ATOM 406 CD ARG A 25 19.457 16.832 5.430 1.00 0.00 C ATOM 407 NE ARG A 25 19.182 16.933 3.982 1.00 0.00 N ATOM 408 CZ ARG A 25 19.667 17.791 3.105 1.00 0.00 C ATOM 409 NH1 ARG A 25 20.514 18.730 3.383 1.00 0.00 N1+ ATOM 410 NH2 ARG A 25 19.288 17.718 1.872 1.00 0.00 N ATOM 0 H ARG A 25 16.727 20.928 5.609 1.00 0.00 H new ATOM 0 HA ARG A 25 17.142 19.181 7.951 1.00 0.00 H new ATOM 0 HB2 ARG A 25 18.906 19.522 5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 25 19.622 19.171 7.059 1.00 0.00 H new ATOM 0 HG2 ARG A 25 18.332 17.092 7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 25 17.430 17.467 5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 25 20.443 17.245 5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 25 19.482 15.782 5.721 1.00 0.00 H new ATOM 0 HE ARG A 25 18.528 16.245 3.609 1.00 0.00 H new ATOM 0 HH11 ARG A 25 20.853 18.845 4.338 1.00 0.00 H new ATOM 0 HH12 ARG A 25 20.842 19.355 2.647 1.00 0.00 H new ATOM 0 HH21 ARG A 25 18.620 17.002 1.585 1.00 0.00 H new ATOM 0 HH22 ARG A 25 19.656 18.376 1.185 1.00 0.00 H new ATOM 424 N ALA A 26 18.576 20.954 9.064 1.00 0.00 N ATOM 425 CA ALA A 26 19.197 22.023 9.849 1.00 0.00 C ATOM 426 C ALA A 26 20.605 21.619 10.325 1.00 0.00 C ATOM 427 O ALA A 26 20.828 20.492 10.779 1.00 0.00 O ATOM 428 CB ALA A 26 18.258 22.405 11.002 1.00 0.00 C ATOM 0 H ALA A 26 18.581 20.058 9.552 1.00 0.00 H new ATOM 0 HA ALA A 26 19.341 22.906 9.227 1.00 0.00 H new ATOM 0 HB1 ALA A 26 18.712 23.201 11.593 1.00 0.00 H new ATOM 0 HB2 ALA A 26 17.307 22.751 10.597 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.088 21.535 11.636 1.00 0.00 H new ATOM 434 N GLU A 27 21.568 22.539 10.207 1.00 0.00 N ATOM 435 CA GLU A 27 23.015 22.301 10.376 1.00 0.00 C ATOM 436 C GLU A 27 23.603 22.900 11.674 1.00 0.00 C ATOM 437 O GLU A 27 24.820 22.910 11.887 1.00 0.00 O ATOM 438 CB GLU A 27 23.763 22.839 9.137 1.00 0.00 C ATOM 439 CG GLU A 27 23.375 22.163 7.810 1.00 0.00 C ATOM 440 CD GLU A 27 24.087 20.818 7.554 1.00 0.00 C ATOM 441 OE1 GLU A 27 24.349 20.498 6.370 1.00 0.00 O ATOM 442 OE2 GLU A 27 24.376 20.060 8.510 1.00 0.00 O1- ATOM 0 H GLU A 27 21.357 23.511 9.982 1.00 0.00 H new ATOM 0 HA GLU A 27 23.154 21.224 10.469 1.00 0.00 H new ATOM 0 HB2 GLU A 27 23.576 23.909 9.052 1.00 0.00 H new ATOM 0 HB3 GLU A 27 24.834 22.714 9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 27 22.298 21.999 7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 27 23.601 22.843 6.989 1.00 0.00 H new ATOM 449 N GLY A 28 22.735 23.420 12.542 1.00 0.00 N ATOM 450 CA GLY A 28 23.127 24.152 13.757 1.00 0.00 C ATOM 451 C GLY A 28 23.824 25.498 13.459 1.00 0.00 C ATOM 452 O GLY A 28 24.777 25.882 14.146 1.00 0.00 O ATOM 0 H GLY A 28 21.725 23.346 12.424 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.241 24.336 14.364 1.00 0.00 H new ATOM 0 HA3 GLY A 28 23.796 23.528 14.350 1.00 0.00 H new ATOM 456 N GLY A 29 23.393 26.171 12.389 1.00 0.00 N ATOM 457 CA GLY A 29 23.966 27.419 11.858 1.00 0.00 C ATOM 458 C GLY A 29 23.343 27.873 10.526 1.00 0.00 C ATOM 459 O GLY A 29 23.426 29.051 10.160 1.00 0.00 O ATOM 0 H GLY A 29 22.596 25.848 11.840 1.00 0.00 H new ATOM 0 HA2 GLY A 29 23.837 28.210 12.597 1.00 0.00 H new ATOM 0 HA3 GLY A 29 25.039 27.285 11.719 1.00 0.00 H new ATOM 463 N ALA A 30 22.682 26.952 9.814 1.00 0.00 N ATOM 464 CA ALA A 30 21.922 27.179 8.582 1.00 0.00 C ATOM 465 C ALA A 30 20.809 26.125 8.440 1.00 0.00 C ATOM 466 O ALA A 30 20.888 25.055 9.052 1.00 0.00 O ATOM 467 CB ALA A 30 22.890 27.099 7.389 1.00 0.00 C ATOM 0 H ALA A 30 22.663 25.973 10.100 1.00 0.00 H new ATOM 0 HA ALA A 30 21.453 28.163 8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 30 22.340 27.266 6.463 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.662 27.861 7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.354 26.113 7.363 1.00 0.00 H new ATOM 473 N VAL A 31 19.815 26.376 7.583 1.00 0.00 N ATOM 474 CA VAL A 31 18.936 25.314 7.041 1.00 0.00 C ATOM 475 C VAL A 31 19.243 25.017 5.577 1.00 0.00 C ATOM 476 O VAL A 31 19.828 25.839 4.866 1.00 0.00 O ATOM 477 CB VAL A 31 17.434 25.585 7.232 1.00 0.00 C ATOM 478 CG1 VAL A 31 17.075 25.791 8.701 1.00 0.00 C ATOM 479 CG2 VAL A 31 16.944 26.777 6.404 1.00 0.00 C ATOM 0 H VAL A 31 19.591 27.311 7.242 1.00 0.00 H new ATOM 0 HA VAL A 31 19.166 24.430 7.636 1.00 0.00 H new ATOM 0 HB VAL A 31 16.923 24.692 6.871 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.005 25.979 8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.335 24.897 9.268 1.00 0.00 H new ATOM 0 HG13 VAL A 31 17.628 26.644 9.095 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.878 26.925 6.575 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.487 27.674 6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.118 26.581 5.346 1.00 0.00 H new ATOM 489 N ARG A 32 18.819 23.839 5.118 1.00 0.00 N ATOM 490 CA ARG A 32 18.953 23.321 3.752 1.00 0.00 C ATOM 491 C ARG A 32 17.616 22.723 3.301 1.00 0.00 C ATOM 492 O ARG A 32 16.971 21.998 4.055 1.00 0.00 O ATOM 493 CB ARG A 32 20.071 22.269 3.704 1.00 0.00 C ATOM 494 CG ARG A 32 21.473 22.869 3.907 1.00 0.00 C ATOM 495 CD ARG A 32 22.550 21.794 4.100 1.00 0.00 C ATOM 496 NE ARG A 32 22.790 20.986 2.891 1.00 0.00 N ATOM 497 CZ ARG A 32 23.753 20.100 2.727 1.00 0.00 C ATOM 498 NH1 ARG A 32 24.587 19.777 3.677 1.00 0.00 N1+ ATOM 499 NH2 ARG A 32 23.890 19.500 1.581 1.00 0.00 N ATOM 0 H ARG A 32 18.341 23.176 5.729 1.00 0.00 H new ATOM 0 HA ARG A 32 19.218 24.131 3.073 1.00 0.00 H new ATOM 0 HB2 ARG A 32 19.889 21.518 4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.038 21.756 2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 32 21.729 23.485 3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 32 21.461 23.527 4.776 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.482 22.273 4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.254 21.135 4.916 1.00 0.00 H new ATOM 0 HE ARG A 32 22.152 21.125 2.108 1.00 0.00 H new ATOM 0 HH11 ARG A 32 24.510 20.216 4.594 1.00 0.00 H new ATOM 0 HH12 ARG A 32 25.316 19.086 3.502 1.00 0.00 H new ATOM 0 HH21 ARG A 32 23.254 19.715 0.813 1.00 0.00 H new ATOM 0 HH22 ARG A 32 24.634 18.814 1.450 1.00 0.00 H new ATOM 513 N VAL A 33 17.201 23.028 2.076 1.00 0.00 N ATOM 514 CA VAL A 33 15.879 22.707 1.493 1.00 0.00 C ATOM 515 C VAL A 33 16.073 22.043 0.131 1.00 0.00 C ATOM 516 O VAL A 33 16.630 22.662 -0.774 1.00 0.00 O ATOM 517 CB VAL A 33 15.050 24.004 1.353 1.00 0.00 C ATOM 518 CG1 VAL A 33 13.704 23.773 0.663 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.765 24.659 2.710 1.00 0.00 C ATOM 0 H VAL A 33 17.799 23.531 1.420 1.00 0.00 H new ATOM 0 HA VAL A 33 15.342 22.018 2.145 1.00 0.00 H new ATOM 0 HB VAL A 33 15.668 24.661 0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.165 24.718 0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.872 23.375 -0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.115 23.062 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.180 25.567 2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.205 23.966 3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.707 24.911 3.198 1.00 0.00 H new ATOM 529 N THR A 34 15.623 20.793 -0.035 1.00 0.00 N ATOM 530 CA THR A 34 15.848 19.998 -1.265 1.00 0.00 C ATOM 531 C THR A 34 14.533 19.630 -1.959 1.00 0.00 C ATOM 532 O THR A 34 13.591 19.151 -1.326 1.00 0.00 O ATOM 533 CB THR A 34 16.681 18.744 -0.965 1.00 0.00 C ATOM 534 OG1 THR A 34 17.935 19.117 -0.434 1.00 0.00 O ATOM 535 CG2 THR A 34 16.965 17.876 -2.193 1.00 0.00 C ATOM 0 H THR A 34 15.090 20.296 0.678 1.00 0.00 H new ATOM 0 HA THR A 34 16.412 20.626 -1.955 1.00 0.00 H new ATOM 0 HB THR A 34 16.082 18.164 -0.263 1.00 0.00 H new ATOM 0 HG1 THR A 34 18.568 18.376 -0.539 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.558 17.010 -1.898 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.023 17.540 -2.627 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.516 18.459 -2.931 1.00 0.00 H new ATOM 543 N THR A 35 14.457 19.851 -3.270 1.00 0.00 N ATOM 544 CA THR A 35 13.252 19.618 -4.087 1.00 0.00 C ATOM 545 C THR A 35 13.082 18.162 -4.537 1.00 0.00 C ATOM 546 O THR A 35 14.011 17.351 -4.516 1.00 0.00 O ATOM 547 CB THR A 35 13.207 20.548 -5.315 1.00 0.00 C ATOM 548 OG1 THR A 35 14.169 20.174 -6.280 1.00 0.00 O ATOM 549 CG2 THR A 35 13.422 22.023 -4.969 1.00 0.00 C ATOM 0 H THR A 35 15.245 20.205 -3.812 1.00 0.00 H new ATOM 0 HA THR A 35 12.417 19.850 -3.426 1.00 0.00 H new ATOM 0 HB THR A 35 12.200 20.435 -5.717 1.00 0.00 H new ATOM 0 HG1 THR A 35 14.115 20.781 -7.048 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.378 22.620 -5.880 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.644 22.352 -4.281 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.398 22.148 -4.500 1.00 0.00 H new ATOM 557 N LEU A 36 11.881 17.858 -5.035 1.00 0.00 N ATOM 558 CA LEU A 36 11.501 16.649 -5.781 1.00 0.00 C ATOM 559 C LEU A 36 12.398 16.381 -7.015 1.00 0.00 C ATOM 560 O LEU A 36 12.481 15.245 -7.486 1.00 0.00 O ATOM 561 CB LEU A 36 10.023 16.865 -6.170 1.00 0.00 C ATOM 562 CG LEU A 36 9.351 15.795 -7.047 1.00 0.00 C ATOM 563 CD1 LEU A 36 9.355 14.418 -6.389 1.00 0.00 C ATOM 564 CD2 LEU A 36 7.888 16.188 -7.275 1.00 0.00 C ATOM 0 H LEU A 36 11.091 18.493 -4.921 1.00 0.00 H new ATOM 0 HA LEU A 36 11.637 15.757 -5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.444 16.957 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.949 17.820 -6.690 1.00 0.00 H new ATOM 0 HG LEU A 36 9.914 15.740 -7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.869 13.698 -7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.383 14.106 -6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.816 14.465 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.402 15.436 -7.896 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.375 16.253 -6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.845 17.155 -7.776 1.00 0.00 H new ATOM 576 N PHE A 37 13.081 17.410 -7.518 1.00 0.00 N ATOM 577 CA PHE A 37 13.961 17.378 -8.696 1.00 0.00 C ATOM 578 C PHE A 37 15.462 17.470 -8.341 1.00 0.00 C ATOM 579 O PHE A 37 16.302 17.763 -9.190 1.00 0.00 O ATOM 580 CB PHE A 37 13.470 18.423 -9.712 1.00 0.00 C ATOM 581 CG PHE A 37 11.982 18.293 -10.009 1.00 0.00 C ATOM 582 CD1 PHE A 37 11.515 17.221 -10.795 1.00 0.00 C ATOM 583 CD2 PHE A 37 11.058 19.173 -9.409 1.00 0.00 C ATOM 584 CE1 PHE A 37 10.138 17.018 -10.970 1.00 0.00 C ATOM 585 CE2 PHE A 37 9.676 18.965 -9.580 1.00 0.00 C ATOM 586 CZ PHE A 37 9.218 17.886 -10.358 1.00 0.00 C ATOM 0 H PHE A 37 13.036 18.338 -7.096 1.00 0.00 H new ATOM 0 HA PHE A 37 13.892 16.400 -9.172 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.675 19.422 -9.328 1.00 0.00 H new ATOM 0 HB3 PHE A 37 14.033 18.316 -10.639 1.00 0.00 H new ATOM 0 HD1 PHE A 37 12.221 16.552 -11.265 1.00 0.00 H new ATOM 0 HD2 PHE A 37 11.410 20.006 -8.819 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.785 16.195 -11.574 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.968 19.634 -9.114 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.158 17.725 -10.485 1.00 0.00 H new ATOM 596 N ASP A 38 15.802 17.193 -7.079 1.00 0.00 N ATOM 597 CA ASP A 38 17.163 17.129 -6.512 1.00 0.00 C ATOM 598 C ASP A 38 17.965 18.451 -6.530 1.00 0.00 C ATOM 599 O ASP A 38 19.183 18.444 -6.311 1.00 0.00 O ATOM 600 CB ASP A 38 17.961 15.929 -7.068 1.00 0.00 C ATOM 601 CG ASP A 38 17.238 14.570 -7.014 1.00 0.00 C ATOM 602 OD1 ASP A 38 17.500 13.720 -7.903 1.00 0.00 O ATOM 603 OD2 ASP A 38 16.454 14.312 -6.069 1.00 0.00 O1- ATOM 0 H ASP A 38 15.091 16.993 -6.375 1.00 0.00 H new ATOM 0 HA ASP A 38 17.004 16.958 -5.447 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.225 16.139 -8.104 1.00 0.00 H new ATOM 0 HB3 ASP A 38 18.895 15.847 -6.512 1.00 0.00 H new ATOM 608 N GLU A 39 17.312 19.598 -6.746 1.00 0.00 N ATOM 609 CA GLU A 39 17.917 20.914 -6.493 1.00 0.00 C ATOM 610 C GLU A 39 17.929 21.216 -4.986 1.00 0.00 C ATOM 611 O GLU A 39 16.964 20.895 -4.285 1.00 0.00 O ATOM 612 CB GLU A 39 17.155 22.022 -7.240 1.00 0.00 C ATOM 613 CG GLU A 39 17.139 21.860 -8.768 1.00 0.00 C ATOM 614 CD GLU A 39 18.540 21.802 -9.414 1.00 0.00 C ATOM 615 OE1 GLU A 39 18.712 21.115 -10.452 1.00 0.00 O ATOM 616 OE2 GLU A 39 19.479 22.472 -8.916 1.00 0.00 O1- ATOM 0 H GLU A 39 16.356 19.643 -7.099 1.00 0.00 H new ATOM 0 HA GLU A 39 18.943 20.889 -6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.127 22.047 -6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 39 17.603 22.985 -6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.597 20.948 -9.020 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.584 22.691 -9.204 1.00 0.00 H new ATOM 623 N GLU A 40 18.991 21.856 -4.478 1.00 0.00 N ATOM 624 CA GLU A 40 19.118 22.210 -3.058 1.00 0.00 C ATOM 625 C GLU A 40 19.388 23.708 -2.859 1.00 0.00 C ATOM 626 O GLU A 40 20.303 24.280 -3.460 1.00 0.00 O ATOM 627 CB GLU A 40 20.179 21.331 -2.370 1.00 0.00 C ATOM 628 CG GLU A 40 20.258 21.581 -0.852 1.00 0.00 C ATOM 629 CD GLU A 40 21.175 20.576 -0.137 1.00 0.00 C ATOM 630 OE1 GLU A 40 22.304 20.305 -0.609 1.00 0.00 O ATOM 631 OE2 GLU A 40 20.837 20.112 0.978 1.00 0.00 O1- ATOM 0 H GLU A 40 19.790 22.144 -5.043 1.00 0.00 H new ATOM 0 HA GLU A 40 18.160 22.008 -2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 40 19.949 20.281 -2.551 1.00 0.00 H new ATOM 0 HB3 GLU A 40 21.153 21.525 -2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 40 20.623 22.592 -0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 40 19.257 21.522 -0.425 1.00 0.00 H new ATOM 638 N HIS A 41 18.595 24.326 -1.987 1.00 0.00 N ATOM 639 CA HIS A 41 18.757 25.693 -1.481 1.00 0.00 C ATOM 640 C HIS A 41 19.316 25.661 -0.048 1.00 0.00 C ATOM 641 O HIS A 41 19.080 24.696 0.684 1.00 0.00 O ATOM 642 CB HIS A 41 17.403 26.421 -1.512 1.00 0.00 C ATOM 643 CG HIS A 41 16.673 26.316 -2.833 1.00 0.00 C ATOM 644 ND1 HIS A 41 16.905 27.109 -3.963 1.00 0.00 N ATOM 645 CD2 HIS A 41 15.722 25.383 -3.137 1.00 0.00 C ATOM 646 CE1 HIS A 41 16.080 26.637 -4.916 1.00 0.00 C ATOM 647 NE2 HIS A 41 15.358 25.605 -4.450 1.00 0.00 N ATOM 0 H HIS A 41 17.776 23.864 -1.591 1.00 0.00 H new ATOM 0 HA HIS A 41 19.461 26.231 -2.116 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.767 26.016 -0.725 1.00 0.00 H new ATOM 0 HB3 HIS A 41 17.564 27.474 -1.281 1.00 0.00 H new ATOM 0 HD2 HIS A 41 15.332 24.621 -2.479 1.00 0.00 H new ATOM 0 HE1 HIS A 41 16.008 27.034 -5.918 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.661 25.077 -4.975 1.00 0.00 H new ATOM 655 N ALA A 42 20.010 26.715 0.377 1.00 0.00 N ATOM 656 CA ALA A 42 20.530 26.856 1.743 1.00 0.00 C ATOM 657 C ALA A 42 20.392 28.298 2.270 1.00 0.00 C ATOM 658 O ALA A 42 20.558 29.260 1.512 1.00 0.00 O ATOM 659 CB ALA A 42 21.985 26.367 1.783 1.00 0.00 C ATOM 0 H ALA A 42 20.232 27.509 -0.224 1.00 0.00 H new ATOM 0 HA ALA A 42 19.931 26.237 2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 42 22.376 26.470 2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 42 22.025 25.320 1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 42 22.588 26.964 1.099 1.00 0.00 H new ATOM 665 N PHE A 43 20.108 28.439 3.567 1.00 0.00 N ATOM 666 CA PHE A 43 19.812 29.717 4.231 1.00 0.00 C ATOM 667 C PHE A 43 20.481 29.796 5.618 1.00 0.00 C ATOM 668 O PHE A 43 19.977 29.205 6.581 1.00 0.00 O ATOM 669 CB PHE A 43 18.285 29.918 4.319 1.00 0.00 C ATOM 670 CG PHE A 43 17.567 29.902 2.981 1.00 0.00 C ATOM 671 CD1 PHE A 43 16.920 28.733 2.532 1.00 0.00 C ATOM 672 CD2 PHE A 43 17.587 31.049 2.163 1.00 0.00 C ATOM 673 CE1 PHE A 43 16.298 28.715 1.272 1.00 0.00 C ATOM 674 CE2 PHE A 43 16.972 31.024 0.900 1.00 0.00 C ATOM 675 CZ PHE A 43 16.335 29.858 0.452 1.00 0.00 C ATOM 0 H PHE A 43 20.076 27.645 4.206 1.00 0.00 H new ATOM 0 HA PHE A 43 20.230 30.528 3.635 1.00 0.00 H new ATOM 0 HB2 PHE A 43 17.865 29.136 4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 43 18.085 30.869 4.813 1.00 0.00 H new ATOM 0 HD1 PHE A 43 16.902 27.852 3.156 1.00 0.00 H new ATOM 0 HD2 PHE A 43 18.076 31.949 2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 43 15.791 27.824 0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 43 16.990 31.904 0.274 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.872 29.837 -0.524 1.00 0.00 H new ATOM 685 N PRO A 44 21.621 30.509 5.750 1.00 0.00 N ATOM 686 CA PRO A 44 22.296 30.738 7.028 1.00 0.00 C ATOM 687 C PRO A 44 21.443 31.498 8.049 1.00 0.00 C ATOM 688 O PRO A 44 20.653 32.378 7.693 1.00 0.00 O ATOM 689 CB PRO A 44 23.583 31.502 6.698 1.00 0.00 C ATOM 690 CG PRO A 44 23.856 31.111 5.249 1.00 0.00 C ATOM 691 CD PRO A 44 22.452 31.001 4.659 1.00 0.00 C ATOM 0 HA PRO A 44 22.499 29.782 7.510 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.452 32.579 6.807 1.00 0.00 H new ATOM 0 HB3 PRO A 44 24.403 31.213 7.355 1.00 0.00 H new ATOM 0 HG2 PRO A 44 24.454 31.862 4.733 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.399 30.168 5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 44 22.099 31.967 4.299 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.433 30.318 3.810 1.00 0.00 H new ATOM 699 N GLY A 45 21.618 31.170 9.330 1.00 0.00 N ATOM 700 CA GLY A 45 21.006 31.867 10.471 1.00 0.00 C ATOM 701 C GLY A 45 19.514 31.598 10.708 1.00 0.00 C ATOM 702 O GLY A 45 18.921 32.199 11.610 1.00 0.00 O ATOM 0 H GLY A 45 22.207 30.388 9.615 1.00 0.00 H new ATOM 0 HA2 GLY A 45 21.551 31.591 11.374 1.00 0.00 H new ATOM 0 HA3 GLY A 45 21.143 32.939 10.331 1.00 0.00 H new ATOM 706 N LEU A 46 18.898 30.704 9.928 1.00 0.00 N ATOM 707 CA LEU A 46 17.538 30.197 10.144 1.00 0.00 C ATOM 708 C LEU A 46 17.535 28.835 10.869 1.00 0.00 C ATOM 709 O LEU A 46 18.553 28.140 10.938 1.00 0.00 O ATOM 710 CB LEU A 46 16.765 30.119 8.811 1.00 0.00 C ATOM 711 CG LEU A 46 16.643 31.437 8.019 1.00 0.00 C ATOM 712 CD1 LEU A 46 15.734 31.204 6.806 1.00 0.00 C ATOM 713 CD2 LEU A 46 16.034 32.579 8.842 1.00 0.00 C ATOM 0 H LEU A 46 19.345 30.301 9.104 1.00 0.00 H new ATOM 0 HA LEU A 46 17.027 30.905 10.796 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.252 29.380 8.175 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.761 29.749 9.018 1.00 0.00 H new ATOM 0 HG LEU A 46 17.653 31.727 7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.640 32.130 6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.166 30.431 6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.748 30.886 7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 46 15.975 33.478 8.229 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.033 32.297 9.170 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.660 32.774 9.713 1.00 0.00 H new ATOM 725 N ALA A 47 16.357 28.451 11.355 1.00 0.00 N ATOM 726 CA ALA A 47 16.000 27.152 11.914 1.00 0.00 C ATOM 727 C ALA A 47 14.596 26.732 11.437 1.00 0.00 C ATOM 728 O ALA A 47 13.797 27.567 10.999 1.00 0.00 O ATOM 729 CB ALA A 47 16.082 27.240 13.443 1.00 0.00 C ATOM 0 H ALA A 47 15.565 29.093 11.368 1.00 0.00 H new ATOM 0 HA ALA A 47 16.695 26.386 11.569 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.818 26.276 13.878 1.00 0.00 H new ATOM 0 HB2 ALA A 47 17.097 27.505 13.738 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.389 28.002 13.801 1.00 0.00 H new ATOM 735 N ILE A 48 14.269 25.440 11.533 1.00 0.00 N ATOM 736 CA ILE A 48 12.934 24.915 11.212 1.00 0.00 C ATOM 737 C ILE A 48 11.956 25.293 12.335 1.00 0.00 C ATOM 738 O ILE A 48 12.155 24.911 13.489 1.00 0.00 O ATOM 739 CB ILE A 48 12.986 23.390 10.944 1.00 0.00 C ATOM 740 CG1 ILE A 48 13.984 23.037 9.813 1.00 0.00 C ATOM 741 CG2 ILE A 48 11.585 22.851 10.608 1.00 0.00 C ATOM 742 CD1 ILE A 48 14.305 21.536 9.735 1.00 0.00 C ATOM 0 H ILE A 48 14.926 24.722 11.838 1.00 0.00 H new ATOM 0 HA ILE A 48 12.571 25.368 10.289 1.00 0.00 H new ATOM 0 HB ILE A 48 13.339 22.912 11.857 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.572 23.364 8.858 1.00 0.00 H new ATOM 0 HG13 ILE A 48 14.909 23.592 9.967 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.643 21.778 10.423 1.00 0.00 H new ATOM 0 HG22 ILE A 48 10.912 23.039 11.445 1.00 0.00 H new ATOM 0 HG23 ILE A 48 11.206 23.353 9.718 1.00 0.00 H new ATOM 0 HD11 ILE A 48 15.009 21.356 8.923 1.00 0.00 H new ATOM 0 HD12 ILE A 48 14.746 21.209 10.677 1.00 0.00 H new ATOM 0 HD13 ILE A 48 13.388 20.977 9.550 1.00 0.00 H new ATOM 754 N GLY A 49 10.904 26.047 12.000 1.00 0.00 N ATOM 755 CA GLY A 49 9.894 26.548 12.940 1.00 0.00 C ATOM 756 C GLY A 49 8.658 25.645 13.071 1.00 0.00 C ATOM 757 O GLY A 49 8.185 25.412 14.186 1.00 0.00 O ATOM 0 H GLY A 49 10.726 26.335 11.038 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.352 26.663 13.922 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.574 27.539 12.619 1.00 0.00 H new ATOM 761 N ARG A 50 8.161 25.090 11.953 1.00 0.00 N ATOM 762 CA ARG A 50 7.074 24.084 11.929 1.00 0.00 C ATOM 763 C ARG A 50 7.211 23.107 10.762 1.00 0.00 C ATOM 764 O ARG A 50 7.746 23.467 9.715 1.00 0.00 O ATOM 765 CB ARG A 50 5.672 24.721 11.810 1.00 0.00 C ATOM 766 CG ARG A 50 5.284 25.811 12.822 1.00 0.00 C ATOM 767 CD ARG A 50 3.760 26.059 12.833 1.00 0.00 C ATOM 768 NE ARG A 50 3.169 26.129 11.480 1.00 0.00 N ATOM 769 CZ ARG A 50 3.080 27.167 10.676 1.00 0.00 C ATOM 770 NH1 ARG A 50 3.499 28.359 11.002 1.00 0.00 N1+ ATOM 771 NH2 ARG A 50 2.562 27.007 9.495 1.00 0.00 N ATOM 0 H ARG A 50 8.506 25.328 11.023 1.00 0.00 H new ATOM 0 HA ARG A 50 7.171 23.562 12.881 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.583 25.147 10.811 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.935 23.921 11.882 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.613 25.517 13.819 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.802 26.738 12.576 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.273 25.261 13.394 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.554 26.990 13.360 1.00 0.00 H new ATOM 0 HE ARG A 50 2.778 25.257 11.122 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.919 28.519 11.918 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.407 29.131 10.341 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.232 26.087 9.203 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.486 27.801 8.860 1.00 0.00 H new ATOM 785 N VAL A 51 6.620 21.922 10.923 1.00 0.00 N ATOM 786 CA VAL A 51 6.356 20.937 9.867 1.00 0.00 C ATOM 787 C VAL A 51 4.892 20.504 9.976 1.00 0.00 C ATOM 788 O VAL A 51 4.516 19.825 10.928 1.00 0.00 O ATOM 789 CB VAL A 51 7.284 19.716 9.980 1.00 0.00 C ATOM 790 CG1 VAL A 51 7.069 18.759 8.799 1.00 0.00 C ATOM 791 CG2 VAL A 51 8.767 20.086 10.042 1.00 0.00 C ATOM 0 H VAL A 51 6.296 21.606 11.837 1.00 0.00 H new ATOM 0 HA VAL A 51 6.551 21.393 8.896 1.00 0.00 H new ATOM 0 HB VAL A 51 7.019 19.233 10.920 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.735 17.902 8.899 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.035 18.415 8.793 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.284 19.279 7.865 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.365 19.178 10.121 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.045 20.627 9.137 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.948 20.717 10.912 1.00 0.00 H new ATOM 801 N ASP A 52 4.062 20.910 9.018 1.00 0.00 N ATOM 802 CA ASP A 52 2.620 20.654 9.002 1.00 0.00 C ATOM 803 C ASP A 52 2.287 19.592 7.937 1.00 0.00 C ATOM 804 O ASP A 52 1.974 19.925 6.789 1.00 0.00 O ATOM 805 CB ASP A 52 1.860 21.977 8.773 1.00 0.00 C ATOM 806 CG ASP A 52 2.177 23.111 9.765 1.00 0.00 C ATOM 807 OD1 ASP A 52 2.031 24.294 9.377 1.00 0.00 O ATOM 808 OD2 ASP A 52 2.543 22.853 10.936 1.00 0.00 O1- ATOM 0 H ASP A 52 4.381 21.441 8.208 1.00 0.00 H new ATOM 0 HA ASP A 52 2.300 20.256 9.965 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.078 22.330 7.765 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.790 21.772 8.814 1.00 0.00 H new ATOM 813 N LEU A 53 2.353 18.304 8.298 1.00 0.00 N ATOM 814 CA LEU A 53 2.129 17.177 7.373 1.00 0.00 C ATOM 815 C LEU A 53 0.714 17.189 6.776 1.00 0.00 C ATOM 816 O LEU A 53 0.530 16.922 5.586 1.00 0.00 O ATOM 817 CB LEU A 53 2.361 15.814 8.070 1.00 0.00 C ATOM 818 CG LEU A 53 3.743 15.482 8.656 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.880 15.726 7.660 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.059 16.201 9.969 1.00 0.00 C ATOM 0 H LEU A 53 2.566 18.008 9.251 1.00 0.00 H new ATOM 0 HA LEU A 53 2.853 17.304 6.568 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.637 15.736 8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.118 15.034 7.349 1.00 0.00 H new ATOM 0 HG LEU A 53 3.680 14.416 8.875 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.833 15.475 8.127 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.732 15.102 6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.886 16.775 7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.052 15.911 10.313 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.031 17.279 9.809 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.320 15.926 10.721 1.00 0.00 H new ATOM 832 N ARG A 54 -0.279 17.553 7.598 1.00 0.00 N ATOM 833 CA ARG A 54 -1.696 17.702 7.228 1.00 0.00 C ATOM 834 C ARG A 54 -1.941 18.830 6.209 1.00 0.00 C ATOM 835 O ARG A 54 -2.807 18.688 5.346 1.00 0.00 O ATOM 836 CB ARG A 54 -2.468 17.900 8.549 1.00 0.00 C ATOM 837 CG ARG A 54 -3.972 18.182 8.404 1.00 0.00 C ATOM 838 CD ARG A 54 -4.670 18.178 9.772 1.00 0.00 C ATOM 839 NE ARG A 54 -4.083 19.146 10.723 1.00 0.00 N ATOM 840 CZ ARG A 54 -4.428 20.407 10.892 1.00 0.00 C ATOM 841 NH1 ARG A 54 -5.402 20.956 10.226 1.00 0.00 N1+ ATOM 842 NH2 ARG A 54 -3.800 21.171 11.732 1.00 0.00 N ATOM 0 H ARG A 54 -0.111 17.761 8.582 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.051 16.813 6.706 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.342 17.006 9.160 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.013 18.726 9.095 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.119 19.148 7.920 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.426 17.430 7.759 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.727 18.407 9.635 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.613 17.177 10.200 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.327 18.800 11.314 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.928 20.407 9.546 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.640 21.935 10.384 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.023 20.799 12.277 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.084 22.144 11.847 1.00 0.00 H new ATOM 856 N SER A 55 -1.171 19.920 6.292 1.00 0.00 N ATOM 857 CA SER A 55 -1.280 21.094 5.408 1.00 0.00 C ATOM 858 C SER A 55 -0.381 21.017 4.157 1.00 0.00 C ATOM 859 O SER A 55 -0.715 21.567 3.102 1.00 0.00 O ATOM 860 CB SER A 55 -0.948 22.352 6.218 1.00 0.00 C ATOM 861 OG SER A 55 -1.215 23.526 5.474 1.00 0.00 O ATOM 0 H SER A 55 -0.435 20.016 6.992 1.00 0.00 H new ATOM 0 HA SER A 55 -2.304 21.124 5.036 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.533 22.360 7.138 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.102 22.334 6.509 1.00 0.00 H new ATOM 0 HG SER A 55 -0.996 24.313 6.015 1.00 0.00 H new ATOM 867 N GLY A 56 0.761 20.325 4.251 1.00 0.00 N ATOM 868 CA GLY A 56 1.810 20.295 3.219 1.00 0.00 C ATOM 869 C GLY A 56 2.721 21.529 3.256 1.00 0.00 C ATOM 870 O GLY A 56 3.146 22.005 2.204 1.00 0.00 O ATOM 0 H GLY A 56 0.989 19.756 5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.416 19.399 3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.344 20.223 2.236 1.00 0.00 H new ATOM 874 N VAL A 57 3.007 22.071 4.443 1.00 0.00 N ATOM 875 CA VAL A 57 3.751 23.335 4.638 1.00 0.00 C ATOM 876 C VAL A 57 4.859 23.187 5.685 1.00 0.00 C ATOM 877 O VAL A 57 4.660 22.554 6.724 1.00 0.00 O ATOM 878 CB VAL A 57 2.793 24.498 4.990 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.527 25.821 5.240 1.00 0.00 C ATOM 880 CG2 VAL A 57 1.785 24.748 3.859 1.00 0.00 C ATOM 0 H VAL A 57 2.724 21.638 5.322 1.00 0.00 H new ATOM 0 HA VAL A 57 4.235 23.577 3.692 1.00 0.00 H new ATOM 0 HB VAL A 57 2.289 24.185 5.905 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.803 26.599 5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.222 25.700 6.071 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.079 26.106 4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.125 25.571 4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.320 25.003 2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.193 23.848 3.694 1.00 0.00 H new ATOM 890 N ILE A 58 6.010 23.807 5.435 1.00 0.00 N ATOM 891 CA ILE A 58 7.142 23.914 6.365 1.00 0.00 C ATOM 892 C ILE A 58 7.470 25.392 6.592 1.00 0.00 C ATOM 893 O ILE A 58 7.671 26.146 5.639 1.00 0.00 O ATOM 894 CB ILE A 58 8.353 23.098 5.857 1.00 0.00 C ATOM 895 CG1 ILE A 58 8.019 21.592 5.908 1.00 0.00 C ATOM 896 CG2 ILE A 58 9.631 23.385 6.679 1.00 0.00 C ATOM 897 CD1 ILE A 58 8.989 20.709 5.115 1.00 0.00 C ATOM 0 H ILE A 58 6.191 24.269 4.544 1.00 0.00 H new ATOM 0 HA ILE A 58 6.873 23.482 7.329 1.00 0.00 H new ATOM 0 HB ILE A 58 8.552 23.400 4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.016 21.266 6.948 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.010 21.441 5.524 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.457 22.791 6.288 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.880 24.444 6.607 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.459 23.123 7.723 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.685 19.666 5.202 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.976 21.005 4.066 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.997 20.827 5.513 1.00 0.00 H new ATOM 909 N SER A 59 7.516 25.816 7.858 1.00 0.00 N ATOM 910 CA SER A 59 7.827 27.194 8.266 1.00 0.00 C ATOM 911 C SER A 59 9.274 27.314 8.749 1.00 0.00 C ATOM 912 O SER A 59 9.743 26.450 9.491 1.00 0.00 O ATOM 913 CB SER A 59 6.851 27.634 9.358 1.00 0.00 C ATOM 914 OG SER A 59 7.078 28.975 9.757 1.00 0.00 O ATOM 0 H SER A 59 7.334 25.198 8.649 1.00 0.00 H new ATOM 0 HA SER A 59 7.717 27.850 7.402 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.828 27.531 8.995 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.951 26.976 10.221 1.00 0.00 H new ATOM 0 HG SER A 59 6.435 29.222 10.454 1.00 0.00 H new ATOM 920 N LEU A 60 9.975 28.384 8.363 1.00 0.00 N ATOM 921 CA LEU A 60 11.329 28.719 8.833 1.00 0.00 C ATOM 922 C LEU A 60 11.324 30.001 9.690 1.00 0.00 C ATOM 923 O LEU A 60 10.580 30.948 9.418 1.00 0.00 O ATOM 924 CB LEU A 60 12.290 28.850 7.635 1.00 0.00 C ATOM 925 CG LEU A 60 12.418 27.599 6.745 1.00 0.00 C ATOM 926 CD1 LEU A 60 13.359 27.899 5.580 1.00 0.00 C ATOM 927 CD2 LEU A 60 12.943 26.389 7.517 1.00 0.00 C ATOM 0 H LEU A 60 9.608 29.063 7.696 1.00 0.00 H new ATOM 0 HA LEU A 60 11.682 27.908 9.470 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.958 29.683 7.015 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.279 29.108 8.012 1.00 0.00 H new ATOM 0 HG LEU A 60 11.421 27.352 6.381 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.451 27.015 4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.958 28.724 4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.341 28.172 5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.015 25.533 6.846 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.929 26.616 7.923 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.260 26.154 8.333 1.00 0.00 H new ATOM 939 N ILE A 61 12.171 30.028 10.721 1.00 0.00 N ATOM 940 CA ILE A 61 12.290 31.102 11.732 1.00 0.00 C ATOM 941 C ILE A 61 13.765 31.451 11.994 1.00 0.00 C ATOM 942 O ILE A 61 14.663 30.678 11.657 1.00 0.00 O ATOM 943 CB ILE A 61 11.557 30.728 13.047 1.00 0.00 C ATOM 944 CG1 ILE A 61 12.144 29.467 13.744 1.00 0.00 C ATOM 945 CG2 ILE A 61 10.047 30.562 12.798 1.00 0.00 C ATOM 946 CD1 ILE A 61 13.000 29.805 14.969 1.00 0.00 C ATOM 0 H ILE A 61 12.829 29.267 10.889 1.00 0.00 H new ATOM 0 HA ILE A 61 11.803 31.990 11.330 1.00 0.00 H new ATOM 0 HB ILE A 61 11.718 31.558 13.735 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.327 28.813 14.048 1.00 0.00 H new ATOM 0 HG13 ILE A 61 12.748 28.911 13.028 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.551 30.300 13.732 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.636 31.498 12.419 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.884 29.771 12.066 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.381 28.885 15.412 1.00 0.00 H new ATOM 0 HD12 ILE A 61 13.836 30.435 14.666 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.393 30.336 15.702 1.00 0.00 H new ATOM 958 N GLU A 62 14.033 32.615 12.587 1.00 0.00 N ATOM 959 CA GLU A 62 15.399 33.065 12.901 1.00 0.00 C ATOM 960 C GLU A 62 15.993 32.311 14.105 1.00 0.00 C ATOM 961 O GLU A 62 15.441 32.325 15.211 1.00 0.00 O ATOM 962 CB GLU A 62 15.422 34.588 13.142 1.00 0.00 C ATOM 963 CG GLU A 62 15.019 35.374 11.882 1.00 0.00 C ATOM 964 CD GLU A 62 15.608 36.792 11.884 1.00 0.00 C ATOM 965 OE1 GLU A 62 14.854 37.770 12.105 1.00 0.00 O ATOM 966 OE2 GLU A 62 16.835 36.935 11.649 1.00 0.00 O1- ATOM 0 H GLU A 62 13.310 33.278 12.866 1.00 0.00 H new ATOM 0 HA GLU A 62 16.026 32.836 12.039 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.743 34.837 13.958 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.421 34.891 13.455 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.360 34.840 10.995 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.932 35.432 11.821 1.00 0.00 H new ATOM 1113 N MET B 3 0.952 11.928 6.697 1.00 0.00 N ATOM 1114 CA MET B 3 1.325 11.874 8.116 1.00 0.00 C ATOM 1115 C MET B 3 2.752 11.313 8.273 1.00 0.00 C ATOM 1116 O MET B 3 3.301 10.726 7.337 1.00 0.00 O ATOM 1117 CB MET B 3 0.280 11.031 8.865 1.00 0.00 C ATOM 1118 CG MET B 3 0.200 9.569 8.387 1.00 0.00 C ATOM 1119 SD MET B 3 -1.387 8.745 8.708 1.00 0.00 S ATOM 1120 CE MET B 3 -1.293 8.591 10.512 1.00 0.00 C ATOM 0 HA MET B 3 1.334 12.875 8.548 1.00 0.00 H new ATOM 0 HB2 MET B 3 0.513 11.043 9.930 1.00 0.00 H new ATOM 0 HB3 MET B 3 -0.699 11.496 8.748 1.00 0.00 H new ATOM 0 HG2 MET B 3 0.397 9.541 7.315 1.00 0.00 H new ATOM 0 HG3 MET B 3 0.993 9.000 8.872 1.00 0.00 H new ATOM 0 HE1 MET B 3 -2.169 8.055 10.878 1.00 0.00 H new ATOM 0 HE2 MET B 3 -0.392 8.042 10.784 1.00 0.00 H new ATOM 0 HE3 MET B 3 -1.262 9.584 10.961 1.00 0.00 H new ATOM 1130 N ALA B 4 3.357 11.488 9.452 1.00 0.00 N ATOM 1131 CA ALA B 4 4.753 11.129 9.728 1.00 0.00 C ATOM 1132 C ALA B 4 4.950 10.468 11.101 1.00 0.00 C ATOM 1133 O ALA B 4 4.005 10.287 11.873 1.00 0.00 O ATOM 1134 CB ALA B 4 5.585 12.414 9.588 1.00 0.00 C ATOM 0 H ALA B 4 2.881 11.892 10.259 1.00 0.00 H new ATOM 0 HA ALA B 4 5.080 10.373 9.014 1.00 0.00 H new ATOM 0 HB1 ALA B 4 6.634 12.192 9.786 1.00 0.00 H new ATOM 0 HB2 ALA B 4 5.482 12.806 8.576 1.00 0.00 H new ATOM 0 HB3 ALA B 4 5.230 13.157 10.303 1.00 0.00 H new ATOM 1140 N LYS B 5 6.204 10.140 11.421 1.00 0.00 N ATOM 1141 CA LYS B 5 6.686 9.793 12.767 1.00 0.00 C ATOM 1142 C LYS B 5 7.834 10.707 13.205 1.00 0.00 C ATOM 1143 O LYS B 5 8.614 11.172 12.370 1.00 0.00 O ATOM 1144 CB LYS B 5 7.052 8.295 12.852 1.00 0.00 C ATOM 1145 CG LYS B 5 8.161 7.861 11.871 1.00 0.00 C ATOM 1146 CD LYS B 5 8.549 6.386 12.028 1.00 0.00 C ATOM 1147 CE LYS B 5 9.287 6.136 13.347 1.00 0.00 C ATOM 1148 NZ LYS B 5 9.644 4.704 13.506 1.00 0.00 N1+ ATOM 0 H LYS B 5 6.946 10.107 10.722 1.00 0.00 H new ATOM 0 HA LYS B 5 5.874 9.962 13.474 1.00 0.00 H new ATOM 0 HB2 LYS B 5 7.372 8.067 13.869 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.158 7.702 12.659 1.00 0.00 H new ATOM 0 HG2 LYS B 5 7.825 8.037 10.849 1.00 0.00 H new ATOM 0 HG3 LYS B 5 9.042 8.483 12.028 1.00 0.00 H new ATOM 0 HD2 LYS B 5 7.653 5.767 11.989 1.00 0.00 H new ATOM 0 HD3 LYS B 5 9.182 6.084 11.193 1.00 0.00 H new ATOM 0 HE2 LYS B 5 10.191 6.744 13.380 1.00 0.00 H new ATOM 0 HE3 LYS B 5 8.660 6.451 14.181 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 10.142 4.569 14.409 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 8.778 4.128 13.498 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 10.262 4.411 12.722 1.00 0.00 H new ATOM 1162 N VAL B 6 7.944 10.960 14.510 1.00 0.00 N ATOM 1163 CA VAL B 6 9.057 11.697 15.140 1.00 0.00 C ATOM 1164 C VAL B 6 9.985 10.729 15.879 1.00 0.00 C ATOM 1165 O VAL B 6 9.517 9.768 16.492 1.00 0.00 O ATOM 1166 CB VAL B 6 8.530 12.815 16.064 1.00 0.00 C ATOM 1167 CG1 VAL B 6 9.623 13.464 16.924 1.00 0.00 C ATOM 1168 CG2 VAL B 6 7.894 13.939 15.239 1.00 0.00 C ATOM 0 H VAL B 6 7.243 10.651 15.184 1.00 0.00 H new ATOM 0 HA VAL B 6 9.641 12.183 14.359 1.00 0.00 H new ATOM 0 HB VAL B 6 7.807 12.326 16.717 1.00 0.00 H new ATOM 0 HG11 VAL B 6 9.181 14.241 17.548 1.00 0.00 H new ATOM 0 HG12 VAL B 6 10.084 12.707 17.558 1.00 0.00 H new ATOM 0 HG13 VAL B 6 10.381 13.906 16.277 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.528 14.718 15.907 1.00 0.00 H new ATOM 0 HG22 VAL B 6 8.638 14.360 14.563 1.00 0.00 H new ATOM 0 HG23 VAL B 6 7.063 13.539 14.659 1.00 0.00 H new ATOM 1178 N VAL B 7 11.291 10.999 15.851 1.00 0.00 N ATOM 1179 CA VAL B 7 12.332 10.285 16.616 1.00 0.00 C ATOM 1180 C VAL B 7 13.310 11.266 17.284 1.00 0.00 C ATOM 1181 O VAL B 7 13.690 12.289 16.707 1.00 0.00 O ATOM 1182 CB VAL B 7 13.038 9.221 15.745 1.00 0.00 C ATOM 1183 CG1 VAL B 7 13.745 9.790 14.509 1.00 0.00 C ATOM 1184 CG2 VAL B 7 14.072 8.411 16.545 1.00 0.00 C ATOM 0 H VAL B 7 11.674 11.748 15.275 1.00 0.00 H new ATOM 0 HA VAL B 7 11.847 9.742 17.427 1.00 0.00 H new ATOM 0 HB VAL B 7 12.223 8.579 15.411 1.00 0.00 H new ATOM 0 HG11 VAL B 7 14.215 8.979 13.953 1.00 0.00 H new ATOM 0 HG12 VAL B 7 13.017 10.293 13.872 1.00 0.00 H new ATOM 0 HG13 VAL B 7 14.507 10.504 14.822 1.00 0.00 H new ATOM 0 HG21 VAL B 7 14.542 7.676 15.892 1.00 0.00 H new ATOM 0 HG22 VAL B 7 14.833 9.083 16.942 1.00 0.00 H new ATOM 0 HG23 VAL B 7 13.575 7.899 17.369 1.00 0.00 H new ATOM 1194 N LEU B 8 13.720 10.942 18.517 1.00 0.00 N ATOM 1195 CA LEU B 8 14.677 11.696 19.340 1.00 0.00 C ATOM 1196 C LEU B 8 15.469 10.752 20.259 1.00 0.00 C ATOM 1197 O LEU B 8 15.039 9.624 20.519 1.00 0.00 O ATOM 1198 CB LEU B 8 13.909 12.793 20.115 1.00 0.00 C ATOM 1199 CG LEU B 8 12.938 12.284 21.204 1.00 0.00 C ATOM 1200 CD1 LEU B 8 13.592 12.235 22.589 1.00 0.00 C ATOM 1201 CD2 LEU B 8 11.713 13.198 21.314 1.00 0.00 C ATOM 0 H LEU B 8 13.377 10.107 18.992 1.00 0.00 H new ATOM 0 HA LEU B 8 15.418 12.186 18.708 1.00 0.00 H new ATOM 0 HB2 LEU B 8 14.635 13.458 20.583 1.00 0.00 H new ATOM 0 HB3 LEU B 8 13.344 13.390 19.400 1.00 0.00 H new ATOM 0 HG LEU B 8 12.650 11.278 20.899 1.00 0.00 H new ATOM 0 HD11 LEU B 8 12.870 11.871 23.320 1.00 0.00 H new ATOM 0 HD12 LEU B 8 14.451 11.564 22.562 1.00 0.00 H new ATOM 0 HD13 LEU B 8 13.921 13.235 22.871 1.00 0.00 H new ATOM 0 HD21 LEU B 8 11.044 12.819 22.087 1.00 0.00 H new ATOM 0 HD22 LEU B 8 12.034 14.207 21.574 1.00 0.00 H new ATOM 0 HD23 LEU B 8 11.188 13.219 20.359 1.00 0.00 H new ATOM 1309 N VAL B 16 13.522 7.541 21.772 1.00 0.00 N ATOM 1310 CA VAL B 16 12.072 7.754 21.932 1.00 0.00 C ATOM 1311 C VAL B 16 11.441 8.079 20.573 1.00 0.00 C ATOM 1312 O VAL B 16 12.007 8.831 19.780 1.00 0.00 O ATOM 1313 CB VAL B 16 11.781 8.860 22.963 1.00 0.00 C ATOM 1314 CG1 VAL B 16 10.282 9.151 23.125 1.00 0.00 C ATOM 1315 CG2 VAL B 16 12.339 8.511 24.351 1.00 0.00 C ATOM 0 HA VAL B 16 11.624 6.836 22.312 1.00 0.00 H new ATOM 0 HB VAL B 16 12.277 9.745 22.565 1.00 0.00 H new ATOM 0 HG11 VAL B 16 10.142 9.939 23.865 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.869 9.473 22.169 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.770 8.248 23.456 1.00 0.00 H new ATOM 0 HG21 VAL B 16 12.112 9.318 25.048 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.883 7.587 24.705 1.00 0.00 H new ATOM 0 HG23 VAL B 16 13.419 8.381 24.287 1.00 0.00 H new ATOM 1325 N GLU B 17 10.268 7.503 20.298 1.00 0.00 N ATOM 1326 CA GLU B 17 9.561 7.609 19.014 1.00 0.00 C ATOM 1327 C GLU B 17 8.058 7.875 19.209 1.00 0.00 C ATOM 1328 O GLU B 17 7.446 7.368 20.156 1.00 0.00 O ATOM 1329 CB GLU B 17 9.773 6.341 18.162 1.00 0.00 C ATOM 1330 CG GLU B 17 11.237 6.140 17.735 1.00 0.00 C ATOM 1331 CD GLU B 17 11.471 4.823 16.976 1.00 0.00 C ATOM 1332 OE1 GLU B 17 10.669 4.476 16.078 1.00 0.00 O ATOM 1333 OE2 GLU B 17 12.487 4.141 17.256 1.00 0.00 O1- ATOM 0 H GLU B 17 9.768 6.933 20.980 1.00 0.00 H new ATOM 0 HA GLU B 17 9.985 8.462 18.484 1.00 0.00 H new ATOM 0 HB2 GLU B 17 9.443 5.470 18.729 1.00 0.00 H new ATOM 0 HB3 GLU B 17 9.146 6.399 17.272 1.00 0.00 H new ATOM 0 HG2 GLU B 17 11.543 6.975 17.104 1.00 0.00 H new ATOM 0 HG3 GLU B 17 11.873 6.160 18.620 1.00 0.00 H new ATOM 1340 N ILE B 18 7.464 8.659 18.303 1.00 0.00 N ATOM 1341 CA ILE B 18 6.027 8.998 18.275 1.00 0.00 C ATOM 1342 C ILE B 18 5.486 8.742 16.864 1.00 0.00 C ATOM 1343 O ILE B 18 5.978 9.332 15.898 1.00 0.00 O ATOM 1344 CB ILE B 18 5.782 10.469 18.699 1.00 0.00 C ATOM 1345 CG1 ILE B 18 6.318 10.789 20.113 1.00 0.00 C ATOM 1346 CG2 ILE B 18 4.277 10.807 18.639 1.00 0.00 C ATOM 1347 CD1 ILE B 18 6.502 12.293 20.340 1.00 0.00 C ATOM 0 H ILE B 18 7.984 9.093 17.540 1.00 0.00 H new ATOM 0 HA ILE B 18 5.500 8.368 18.992 1.00 0.00 H new ATOM 0 HB ILE B 18 6.335 11.084 17.990 1.00 0.00 H new ATOM 0 HG12 ILE B 18 5.628 10.393 20.858 1.00 0.00 H new ATOM 0 HG13 ILE B 18 7.272 10.282 20.261 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.125 11.843 18.940 1.00 0.00 H new ATOM 0 HG22 ILE B 18 3.913 10.667 17.621 1.00 0.00 H new ATOM 0 HG23 ILE B 18 3.729 10.149 19.314 1.00 0.00 H new ATOM 0 HD11 ILE B 18 6.880 12.465 21.348 1.00 0.00 H new ATOM 0 HD12 ILE B 18 7.213 12.686 19.613 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.544 12.799 20.221 1.00 0.00 H new ATOM 1359 N GLY B 19 4.480 7.874 16.741 1.00 0.00 N ATOM 1360 CA GLY B 19 3.793 7.573 15.479 1.00 0.00 C ATOM 1361 C GLY B 19 2.573 8.465 15.215 1.00 0.00 C ATOM 1362 O GLY B 19 2.090 9.178 16.097 1.00 0.00 O ATOM 0 H GLY B 19 4.110 7.348 17.533 1.00 0.00 H new ATOM 0 HA2 GLY B 19 4.499 7.684 14.656 1.00 0.00 H new ATOM 0 HA3 GLY B 19 3.475 6.530 15.488 1.00 0.00 H new ATOM 1366 N ASP B 20 2.055 8.390 13.986 1.00 0.00 N ATOM 1367 CA ASP B 20 0.814 9.038 13.528 1.00 0.00 C ATOM 1368 C ASP B 20 0.779 10.572 13.728 1.00 0.00 C ATOM 1369 O ASP B 20 -0.256 11.150 14.056 1.00 0.00 O ATOM 1370 CB ASP B 20 -0.436 8.328 14.096 1.00 0.00 C ATOM 1371 CG ASP B 20 -0.484 6.802 13.877 1.00 0.00 C ATOM 1372 OD1 ASP B 20 -1.203 6.118 14.637 1.00 0.00 O ATOM 1373 OD2 ASP B 20 0.154 6.275 12.930 1.00 0.00 O1- ATOM 0 H ASP B 20 2.507 7.852 13.246 1.00 0.00 H new ATOM 0 HA ASP B 20 0.799 8.915 12.445 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -0.491 8.527 15.166 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -1.323 8.772 13.643 1.00 0.00 H new ATOM 1378 N VAL B 21 1.927 11.235 13.551 1.00 0.00 N ATOM 1379 CA VAL B 21 2.111 12.687 13.705 1.00 0.00 C ATOM 1380 C VAL B 21 1.519 13.445 12.511 1.00 0.00 C ATOM 1381 O VAL B 21 1.838 13.142 11.358 1.00 0.00 O ATOM 1382 CB VAL B 21 3.602 13.022 13.896 1.00 0.00 C ATOM 1383 CG1 VAL B 21 3.848 14.526 14.027 1.00 0.00 C ATOM 1384 CG2 VAL B 21 4.156 12.335 15.153 1.00 0.00 C ATOM 0 H VAL B 21 2.789 10.758 13.286 1.00 0.00 H new ATOM 0 HA VAL B 21 1.574 13.010 14.597 1.00 0.00 H new ATOM 0 HB VAL B 21 4.113 12.658 13.004 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.914 14.710 14.160 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.502 15.031 13.125 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.303 14.910 14.890 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.211 12.585 15.269 1.00 0.00 H new ATOM 0 HG22 VAL B 21 3.603 12.677 16.028 1.00 0.00 H new ATOM 0 HG23 VAL B 21 4.048 11.255 15.055 1.00 0.00 H new ATOM 1394 N LEU B 22 0.686 14.456 12.788 1.00 0.00 N ATOM 1395 CA LEU B 22 0.112 15.362 11.780 1.00 0.00 C ATOM 1396 C LEU B 22 0.787 16.743 11.736 1.00 0.00 C ATOM 1397 O LEU B 22 0.738 17.404 10.699 1.00 0.00 O ATOM 1398 CB LEU B 22 -1.406 15.504 11.992 1.00 0.00 C ATOM 1399 CG LEU B 22 -2.221 14.204 11.877 1.00 0.00 C ATOM 1400 CD1 LEU B 22 -3.708 14.552 11.870 1.00 0.00 C ATOM 1401 CD2 LEU B 22 -1.930 13.412 10.606 1.00 0.00 C ATOM 0 H LEU B 22 0.385 14.673 13.738 1.00 0.00 H new ATOM 0 HA LEU B 22 0.304 14.904 10.810 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -1.578 15.932 12.979 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -1.791 16.218 11.264 1.00 0.00 H new ATOM 0 HG LEU B 22 -1.938 13.586 12.729 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.295 13.637 11.789 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -3.965 15.068 12.795 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -3.926 15.200 11.021 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -2.540 12.509 10.593 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -2.167 14.023 9.735 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -0.875 13.138 10.581 1.00 0.00 H new ATOM 1413 N GLU B 23 1.436 17.172 12.822 1.00 0.00 N ATOM 1414 CA GLU B 23 2.258 18.392 12.854 1.00 0.00 C ATOM 1415 C GLU B 23 3.297 18.401 13.992 1.00 0.00 C ATOM 1416 O GLU B 23 3.116 17.784 15.049 1.00 0.00 O ATOM 1417 CB GLU B 23 1.376 19.656 12.898 1.00 0.00 C ATOM 1418 CG GLU B 23 0.415 19.738 14.091 1.00 0.00 C ATOM 1419 CD GLU B 23 -0.548 20.925 13.926 1.00 0.00 C ATOM 1420 OE1 GLU B 23 -1.623 20.745 13.306 1.00 0.00 O ATOM 1421 OE2 GLU B 23 -0.239 22.044 14.410 1.00 0.00 O1- ATOM 0 H GLU B 23 1.407 16.679 13.715 1.00 0.00 H new ATOM 0 HA GLU B 23 2.827 18.396 11.924 1.00 0.00 H new ATOM 0 HB2 GLU B 23 2.024 20.532 12.913 1.00 0.00 H new ATOM 0 HB3 GLU B 23 0.794 19.706 11.978 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -0.152 18.811 14.173 1.00 0.00 H new ATOM 0 HG3 GLU B 23 0.982 19.848 15.015 1.00 0.00 H new ATOM 1428 N VAL B 24 4.382 19.151 13.770 1.00 0.00 N ATOM 1429 CA VAL B 24 5.521 19.370 14.686 1.00 0.00 C ATOM 1430 C VAL B 24 5.872 20.860 14.704 1.00 0.00 C ATOM 1431 O VAL B 24 5.836 21.507 13.656 1.00 0.00 O ATOM 1432 CB VAL B 24 6.756 18.539 14.250 1.00 0.00 C ATOM 1433 CG1 VAL B 24 7.953 18.696 15.198 1.00 0.00 C ATOM 1434 CG2 VAL B 24 6.439 17.044 14.167 1.00 0.00 C ATOM 0 H VAL B 24 4.501 19.656 12.892 1.00 0.00 H new ATOM 0 HA VAL B 24 5.234 19.045 15.686 1.00 0.00 H new ATOM 0 HB VAL B 24 7.016 18.933 13.268 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.784 18.090 14.838 1.00 0.00 H new ATOM 0 HG12 VAL B 24 8.255 19.743 15.232 1.00 0.00 H new ATOM 0 HG13 VAL B 24 7.671 18.367 16.198 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.331 16.499 13.858 1.00 0.00 H new ATOM 0 HG22 VAL B 24 6.115 16.686 15.144 1.00 0.00 H new ATOM 0 HG23 VAL B 24 5.644 16.880 13.439 1.00 0.00 H new ATOM 1444 N ARG B 25 6.213 21.417 15.871 1.00 0.00 N ATOM 1445 CA ARG B 25 6.535 22.848 16.059 1.00 0.00 C ATOM 1446 C ARG B 25 7.759 23.039 16.952 1.00 0.00 C ATOM 1447 O ARG B 25 7.968 22.267 17.884 1.00 0.00 O ATOM 1448 CB ARG B 25 5.330 23.612 16.647 1.00 0.00 C ATOM 1449 CG ARG B 25 4.017 23.436 15.867 1.00 0.00 C ATOM 1450 CD ARG B 25 2.951 24.400 16.401 1.00 0.00 C ATOM 1451 NE ARG B 25 1.646 24.209 15.739 1.00 0.00 N ATOM 1452 CZ ARG B 25 0.637 25.054 15.707 1.00 0.00 C ATOM 1453 NH1 ARG B 25 0.695 26.242 16.246 1.00 0.00 N1+ ATOM 1454 NH2 ARG B 25 -0.470 24.705 15.126 1.00 0.00 N ATOM 0 H ARG B 25 6.276 20.879 16.735 1.00 0.00 H new ATOM 0 HA ARG B 25 6.766 23.256 15.075 1.00 0.00 H new ATOM 0 HB2 ARG B 25 5.174 23.282 17.674 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.574 24.674 16.687 1.00 0.00 H new ATOM 0 HG2 ARG B 25 4.188 23.622 14.807 1.00 0.00 H new ATOM 0 HG3 ARG B 25 3.666 22.408 15.958 1.00 0.00 H new ATOM 0 HD2 ARG B 25 2.837 24.254 17.475 1.00 0.00 H new ATOM 0 HD3 ARG B 25 3.285 25.427 16.253 1.00 0.00 H new ATOM 0 HE ARG B 25 1.511 23.323 15.252 1.00 0.00 H new ATOM 0 HH11 ARG B 25 1.547 26.548 16.716 1.00 0.00 H new ATOM 0 HH12 ARG B 25 -0.112 26.864 16.197 1.00 0.00 H new ATOM 0 HH21 ARG B 25 -0.553 23.782 14.699 1.00 0.00 H new ATOM 0 HH22 ARG B 25 -1.257 25.353 15.097 1.00 0.00 H new ATOM 1468 N ALA B 26 8.536 24.088 16.700 1.00 0.00 N ATOM 1469 CA ALA B 26 9.642 24.528 17.553 1.00 0.00 C ATOM 1470 C ALA B 26 9.290 25.833 18.291 1.00 0.00 C ATOM 1471 O ALA B 26 8.940 26.849 17.684 1.00 0.00 O ATOM 1472 CB ALA B 26 10.909 24.652 16.700 1.00 0.00 C ATOM 0 H ALA B 26 8.413 24.674 15.874 1.00 0.00 H new ATOM 0 HA ALA B 26 9.827 23.788 18.331 1.00 0.00 H new ATOM 0 HB1 ALA B 26 11.739 24.979 17.326 1.00 0.00 H new ATOM 0 HB2 ALA B 26 11.147 23.684 16.259 1.00 0.00 H new ATOM 0 HB3 ALA B 26 10.744 25.381 15.907 1.00 0.00 H new ATOM 1478 N GLU B 27 9.398 25.805 19.615 1.00 0.00 N ATOM 1479 CA GLU B 27 9.370 26.975 20.503 1.00 0.00 C ATOM 1480 C GLU B 27 10.784 27.562 20.695 1.00 0.00 C ATOM 1481 O GLU B 27 11.783 26.956 20.299 1.00 0.00 O ATOM 1482 CB GLU B 27 8.779 26.567 21.868 1.00 0.00 C ATOM 1483 CG GLU B 27 7.345 26.011 21.812 1.00 0.00 C ATOM 1484 CD GLU B 27 6.297 27.008 21.281 1.00 0.00 C ATOM 1485 OE1 GLU B 27 5.231 26.542 20.808 1.00 0.00 O ATOM 1486 OE2 GLU B 27 6.504 28.244 21.368 1.00 0.00 O1- ATOM 0 H GLU B 27 9.513 24.930 20.127 1.00 0.00 H new ATOM 0 HA GLU B 27 8.746 27.743 20.046 1.00 0.00 H new ATOM 0 HB2 GLU B 27 9.427 25.815 22.318 1.00 0.00 H new ATOM 0 HB3 GLU B 27 8.791 27.435 22.527 1.00 0.00 H new ATOM 0 HG2 GLU B 27 7.337 25.123 21.180 1.00 0.00 H new ATOM 0 HG3 GLU B 27 7.052 25.693 22.813 1.00 0.00 H new ATOM 1493 N GLY B 28 10.894 28.720 21.362 1.00 0.00 N ATOM 1494 CA GLY B 28 12.163 29.354 21.758 1.00 0.00 C ATOM 1495 C GLY B 28 12.892 28.638 22.913 1.00 0.00 C ATOM 1496 O GLY B 28 13.262 29.281 23.895 1.00 0.00 O ATOM 0 H GLY B 28 10.078 29.259 21.650 1.00 0.00 H new ATOM 0 HA2 GLY B 28 12.824 29.390 20.892 1.00 0.00 H new ATOM 0 HA3 GLY B 28 11.965 30.385 22.051 1.00 0.00 H new ATOM 1500 N GLY B 29 13.046 27.313 22.819 1.00 0.00 N ATOM 1501 CA GLY B 29 13.691 26.460 23.824 1.00 0.00 C ATOM 1502 C GLY B 29 13.193 25.006 23.901 1.00 0.00 C ATOM 1503 O GLY B 29 13.612 24.282 24.806 1.00 0.00 O ATOM 0 H GLY B 29 12.713 26.786 22.012 1.00 0.00 H new ATOM 0 HA2 GLY B 29 14.762 26.445 23.624 1.00 0.00 H new ATOM 0 HA3 GLY B 29 13.556 26.921 24.802 1.00 0.00 H new ATOM 1507 N ALA B 30 12.272 24.573 23.029 1.00 0.00 N ATOM 1508 CA ALA B 30 11.633 23.250 23.073 1.00 0.00 C ATOM 1509 C ALA B 30 11.047 22.825 21.707 1.00 0.00 C ATOM 1510 O ALA B 30 10.794 23.665 20.844 1.00 0.00 O ATOM 1511 CB ALA B 30 10.518 23.278 24.131 1.00 0.00 C ATOM 0 H ALA B 30 11.942 25.148 22.254 1.00 0.00 H new ATOM 0 HA ALA B 30 12.397 22.516 23.330 1.00 0.00 H new ATOM 0 HB1 ALA B 30 10.034 22.302 24.175 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.946 23.515 25.105 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.782 24.036 23.864 1.00 0.00 H new ATOM 1517 N VAL B 31 10.763 21.526 21.537 1.00 0.00 N ATOM 1518 CA VAL B 31 9.956 20.980 20.421 1.00 0.00 C ATOM 1519 C VAL B 31 8.616 20.417 20.916 1.00 0.00 C ATOM 1520 O VAL B 31 8.557 19.830 21.997 1.00 0.00 O ATOM 1521 CB VAL B 31 10.744 19.943 19.590 1.00 0.00 C ATOM 1522 CG1 VAL B 31 9.892 19.229 18.527 1.00 0.00 C ATOM 1523 CG2 VAL B 31 11.896 20.626 18.841 1.00 0.00 C ATOM 0 H VAL B 31 11.091 20.806 22.181 1.00 0.00 H new ATOM 0 HA VAL B 31 9.730 21.811 19.753 1.00 0.00 H new ATOM 0 HB VAL B 31 11.097 19.208 20.313 1.00 0.00 H new ATOM 0 HG11 VAL B 31 10.511 18.516 17.983 1.00 0.00 H new ATOM 0 HG12 VAL B 31 9.072 18.700 19.013 1.00 0.00 H new ATOM 0 HG13 VAL B 31 9.488 19.964 17.831 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.443 19.884 18.260 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.494 21.387 18.172 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.570 21.093 19.559 1.00 0.00 H new ATOM 1533 N ARG B 32 7.549 20.584 20.123 1.00 0.00 N ATOM 1534 CA ARG B 32 6.180 20.089 20.342 1.00 0.00 C ATOM 1535 C ARG B 32 5.728 19.202 19.173 1.00 0.00 C ATOM 1536 O ARG B 32 6.084 19.466 18.024 1.00 0.00 O ATOM 1537 CB ARG B 32 5.226 21.286 20.495 1.00 0.00 C ATOM 1538 CG ARG B 32 5.469 22.109 21.773 1.00 0.00 C ATOM 1539 CD ARG B 32 4.729 23.450 21.723 1.00 0.00 C ATOM 1540 NE ARG B 32 3.268 23.294 21.701 1.00 0.00 N ATOM 1541 CZ ARG B 32 2.371 24.197 21.358 1.00 0.00 C ATOM 1542 NH1 ARG B 32 2.683 25.399 20.958 1.00 0.00 N1+ ATOM 1543 NH2 ARG B 32 1.116 23.874 21.412 1.00 0.00 N ATOM 0 H ARG B 32 7.623 21.105 19.249 1.00 0.00 H new ATOM 0 HA ARG B 32 6.163 19.487 21.251 1.00 0.00 H new ATOM 0 HB2 ARG B 32 5.332 21.938 19.628 1.00 0.00 H new ATOM 0 HB3 ARG B 32 4.198 20.923 20.497 1.00 0.00 H new ATOM 0 HG2 ARG B 32 5.137 21.541 22.642 1.00 0.00 H new ATOM 0 HG3 ARG B 32 6.538 22.286 21.896 1.00 0.00 H new ATOM 0 HD2 ARG B 32 5.013 24.049 22.588 1.00 0.00 H new ATOM 0 HD3 ARG B 32 5.044 24.001 20.837 1.00 0.00 H new ATOM 0 HE ARG B 32 2.907 22.383 21.983 1.00 0.00 H new ATOM 0 HH11 ARG B 32 3.662 25.679 20.899 1.00 0.00 H new ATOM 0 HH12 ARG B 32 1.948 26.059 20.704 1.00 0.00 H new ATOM 0 HH21 ARG B 32 0.843 22.939 21.715 1.00 0.00 H new ATOM 0 HH22 ARG B 32 0.402 24.555 21.152 1.00 0.00 H new ATOM 1557 N VAL B 33 4.926 18.178 19.455 1.00 0.00 N ATOM 1558 CA VAL B 33 4.463 17.150 18.501 1.00 0.00 C ATOM 1559 C VAL B 33 2.978 16.838 18.727 1.00 0.00 C ATOM 1560 O VAL B 33 2.571 16.677 19.878 1.00 0.00 O ATOM 1561 CB VAL B 33 5.299 15.862 18.660 1.00 0.00 C ATOM 1562 CG1 VAL B 33 4.881 14.758 17.681 1.00 0.00 C ATOM 1563 CG2 VAL B 33 6.803 16.101 18.469 1.00 0.00 C ATOM 0 H VAL B 33 4.560 18.027 20.395 1.00 0.00 H new ATOM 0 HA VAL B 33 4.590 17.536 17.489 1.00 0.00 H new ATOM 0 HB VAL B 33 5.103 15.543 19.684 1.00 0.00 H new ATOM 0 HG11 VAL B 33 5.503 13.877 17.839 1.00 0.00 H new ATOM 0 HG12 VAL B 33 3.836 14.499 17.849 1.00 0.00 H new ATOM 0 HG13 VAL B 33 5.007 15.112 16.658 1.00 0.00 H new ATOM 0 HG21 VAL B 33 7.339 15.160 18.592 1.00 0.00 H new ATOM 0 HG22 VAL B 33 6.985 16.494 17.469 1.00 0.00 H new ATOM 0 HG23 VAL B 33 7.154 16.819 19.210 1.00 0.00 H new ATOM 1573 N THR B 34 2.183 16.709 17.661 1.00 0.00 N ATOM 1574 CA THR B 34 0.725 16.470 17.735 1.00 0.00 C ATOM 1575 C THR B 34 0.284 15.320 16.821 1.00 0.00 C ATOM 1576 O THR B 34 0.595 15.313 15.624 1.00 0.00 O ATOM 1577 CB THR B 34 -0.054 17.754 17.403 1.00 0.00 C ATOM 1578 OG1 THR B 34 0.324 18.820 18.253 1.00 0.00 O ATOM 1579 CG2 THR B 34 -1.571 17.587 17.542 1.00 0.00 C ATOM 0 H THR B 34 2.532 16.767 16.704 1.00 0.00 H new ATOM 0 HA THR B 34 0.497 16.177 18.760 1.00 0.00 H new ATOM 0 HB THR B 34 0.194 17.972 16.364 1.00 0.00 H new ATOM 0 HG1 THR B 34 -0.186 19.623 18.017 1.00 0.00 H new ATOM 0 HG21 THR B 34 -2.065 18.527 17.295 1.00 0.00 H new ATOM 0 HG22 THR B 34 -1.915 16.807 16.863 1.00 0.00 H new ATOM 0 HG23 THR B 34 -1.814 17.309 18.567 1.00 0.00 H new ATOM 1587 N THR B 35 -0.451 14.354 17.374 1.00 0.00 N ATOM 1588 CA THR B 35 -0.901 13.134 16.667 1.00 0.00 C ATOM 1589 C THR B 35 -2.267 13.278 15.971 1.00 0.00 C ATOM 1590 O THR B 35 -3.030 14.216 16.209 1.00 0.00 O ATOM 1591 CB THR B 35 -0.933 11.910 17.601 1.00 0.00 C ATOM 1592 OG1 THR B 35 -2.019 11.989 18.494 1.00 0.00 O ATOM 1593 CG2 THR B 35 0.353 11.726 18.410 1.00 0.00 C ATOM 0 H THR B 35 -0.761 14.390 18.345 1.00 0.00 H new ATOM 0 HA THR B 35 -0.155 12.982 15.886 1.00 0.00 H new ATOM 0 HB THR B 35 -1.039 11.047 16.944 1.00 0.00 H new ATOM 0 HG1 THR B 35 -2.021 11.201 19.077 1.00 0.00 H new ATOM 0 HG21 THR B 35 0.260 10.845 19.046 1.00 0.00 H new ATOM 0 HG22 THR B 35 1.195 11.596 17.730 1.00 0.00 H new ATOM 0 HG23 THR B 35 0.521 12.606 19.031 1.00 0.00 H new ATOM 1601 N LEU B 36 -2.607 12.273 15.153 1.00 0.00 N ATOM 1602 CA LEU B 36 -3.925 12.032 14.551 1.00 0.00 C ATOM 1603 C LEU B 36 -5.078 11.997 15.573 1.00 0.00 C ATOM 1604 O LEU B 36 -6.207 12.374 15.249 1.00 0.00 O ATOM 1605 CB LEU B 36 -3.806 10.703 13.771 1.00 0.00 C ATOM 1606 CG LEU B 36 -5.102 10.117 13.188 1.00 0.00 C ATOM 1607 CD1 LEU B 36 -5.738 11.034 12.138 1.00 0.00 C ATOM 1608 CD2 LEU B 36 -4.798 8.785 12.496 1.00 0.00 C ATOM 0 H LEU B 36 -1.928 11.564 14.877 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.186 12.862 13.895 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -3.103 10.853 12.951 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.367 9.959 14.435 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.792 9.996 14.023 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.650 10.574 11.758 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.978 11.995 12.592 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.038 11.186 11.316 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -5.718 8.371 12.083 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.081 8.948 11.692 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -4.379 8.086 13.220 1.00 0.00 H new ATOM 1620 N PHE B 37 -4.790 11.590 16.809 1.00 0.00 N ATOM 1621 CA PHE B 37 -5.751 11.495 17.916 1.00 0.00 C ATOM 1622 C PHE B 37 -5.689 12.706 18.874 1.00 0.00 C ATOM 1623 O PHE B 37 -6.154 12.633 20.013 1.00 0.00 O ATOM 1624 CB PHE B 37 -5.575 10.133 18.600 1.00 0.00 C ATOM 1625 CG PHE B 37 -5.670 8.985 17.614 1.00 0.00 C ATOM 1626 CD1 PHE B 37 -6.922 8.620 17.083 1.00 0.00 C ATOM 1627 CD2 PHE B 37 -4.505 8.362 17.128 1.00 0.00 C ATOM 1628 CE1 PHE B 37 -7.005 7.647 16.072 1.00 0.00 C ATOM 1629 CE2 PHE B 37 -4.592 7.383 16.122 1.00 0.00 C ATOM 1630 CZ PHE B 37 -5.839 7.036 15.578 1.00 0.00 C ATOM 0 H PHE B 37 -3.848 11.306 17.080 1.00 0.00 H new ATOM 0 HA PHE B 37 -6.767 11.545 17.524 1.00 0.00 H new ATOM 0 HB2 PHE B 37 -4.607 10.101 19.101 1.00 0.00 H new ATOM 0 HB3 PHE B 37 -6.337 10.013 19.370 1.00 0.00 H new ATOM 0 HD1 PHE B 37 -7.821 9.089 17.454 1.00 0.00 H new ATOM 0 HD2 PHE B 37 -3.541 8.637 17.529 1.00 0.00 H new ATOM 0 HE1 PHE B 37 -7.969 7.367 15.673 1.00 0.00 H new ATOM 0 HE2 PHE B 37 -3.696 6.896 15.766 1.00 0.00 H new ATOM 0 HZ PHE B 37 -5.902 6.305 14.786 1.00 0.00 H new ATOM 1640 N ASP B 38 -5.102 13.814 18.408 1.00 0.00 N ATOM 1641 CA ASP B 38 -4.909 15.114 19.071 1.00 0.00 C ATOM 1642 C ASP B 38 -4.159 15.060 20.420 1.00 0.00 C ATOM 1643 O ASP B 38 -4.209 16.009 21.208 1.00 0.00 O ATOM 1644 CB ASP B 38 -6.196 15.960 19.066 1.00 0.00 C ATOM 1645 CG ASP B 38 -7.372 15.395 19.878 1.00 0.00 C ATOM 1646 OD1 ASP B 38 -7.349 15.478 21.130 1.00 0.00 O ATOM 1647 OD2 ASP B 38 -8.370 14.932 19.267 1.00 0.00 O1- ATOM 0 H ASP B 38 -4.711 13.827 17.466 1.00 0.00 H new ATOM 0 HA ASP B 38 -4.198 15.659 18.450 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -5.958 16.952 19.450 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -6.520 16.087 18.033 1.00 0.00 H new ATOM 1652 N GLU B 39 -3.410 13.985 20.677 1.00 0.00 N ATOM 1653 CA GLU B 39 -2.466 13.908 21.798 1.00 0.00 C ATOM 1654 C GLU B 39 -1.244 14.803 21.519 1.00 0.00 C ATOM 1655 O GLU B 39 -0.687 14.794 20.416 1.00 0.00 O ATOM 1656 CB GLU B 39 -2.012 12.464 22.073 1.00 0.00 C ATOM 1657 CG GLU B 39 -3.180 11.542 22.453 1.00 0.00 C ATOM 1658 CD GLU B 39 -2.717 10.127 22.875 1.00 0.00 C ATOM 1659 OE1 GLU B 39 -1.622 9.971 23.470 1.00 0.00 O ATOM 1660 OE2 GLU B 39 -3.474 9.153 22.630 1.00 0.00 O1- ATOM 0 H GLU B 39 -3.441 13.137 20.110 1.00 0.00 H new ATOM 0 HA GLU B 39 -2.984 14.263 22.689 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.514 12.068 21.188 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.277 12.465 22.878 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -3.742 11.994 23.270 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -3.861 11.459 21.606 1.00 0.00 H new ATOM 1667 N GLU B 40 -0.825 15.577 22.521 1.00 0.00 N ATOM 1668 CA GLU B 40 0.326 16.479 22.444 1.00 0.00 C ATOM 1669 C GLU B 40 1.499 15.981 23.301 1.00 0.00 C ATOM 1670 O GLU B 40 1.326 15.594 24.460 1.00 0.00 O ATOM 1671 CB GLU B 40 -0.099 17.908 22.816 1.00 0.00 C ATOM 1672 CG GLU B 40 1.062 18.906 22.718 1.00 0.00 C ATOM 1673 CD GLU B 40 0.621 20.378 22.843 1.00 0.00 C ATOM 1674 OE1 GLU B 40 1.348 21.264 22.330 1.00 0.00 O ATOM 1675 OE2 GLU B 40 -0.431 20.676 23.462 1.00 0.00 O1- ATOM 0 H GLU B 40 -1.287 15.595 23.430 1.00 0.00 H new ATOM 0 HA GLU B 40 0.686 16.491 21.415 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -0.906 18.228 22.157 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -0.495 17.914 23.831 1.00 0.00 H new ATOM 0 HG2 GLU B 40 1.788 18.685 23.501 1.00 0.00 H new ATOM 0 HG3 GLU B 40 1.570 18.767 21.764 1.00 0.00 H new ATOM 1682 N HIS B 41 2.709 16.042 22.737 1.00 0.00 N ATOM 1683 CA HIS B 41 3.981 15.738 23.405 1.00 0.00 C ATOM 1684 C HIS B 41 4.908 16.956 23.303 1.00 0.00 C ATOM 1685 O HIS B 41 4.871 17.671 22.297 1.00 0.00 O ATOM 1686 CB HIS B 41 4.619 14.489 22.773 1.00 0.00 C ATOM 1687 CG HIS B 41 3.684 13.310 22.624 1.00 0.00 C ATOM 1688 ND1 HIS B 41 3.376 12.375 23.622 1.00 0.00 N ATOM 1689 CD2 HIS B 41 2.967 13.011 21.504 1.00 0.00 C ATOM 1690 CE1 HIS B 41 2.492 11.527 23.069 1.00 0.00 C ATOM 1691 NE2 HIS B 41 2.231 11.881 21.800 1.00 0.00 N ATOM 0 H HIS B 41 2.836 16.316 21.763 1.00 0.00 H new ATOM 0 HA HIS B 41 3.808 15.524 24.460 1.00 0.00 H new ATOM 0 HB2 HIS B 41 5.008 14.754 21.790 1.00 0.00 H new ATOM 0 HB3 HIS B 41 5.471 14.185 23.381 1.00 0.00 H new ATOM 0 HD2 HIS B 41 2.973 13.552 20.569 1.00 0.00 H new ATOM 0 HE1 HIS B 41 2.053 10.680 23.574 1.00 0.00 H new ATOM 0 HE2 HIS B 41 1.597 11.398 21.164 1.00 0.00 H new ATOM 1699 N ALA B 42 5.745 17.190 24.314 1.00 0.00 N ATOM 1700 CA ALA B 42 6.672 18.326 24.351 1.00 0.00 C ATOM 1701 C ALA B 42 8.006 17.976 25.038 1.00 0.00 C ATOM 1702 O ALA B 42 8.033 17.231 26.024 1.00 0.00 O ATOM 1703 CB ALA B 42 5.979 19.520 25.025 1.00 0.00 C ATOM 0 H ALA B 42 5.801 16.592 25.139 1.00 0.00 H new ATOM 0 HA ALA B 42 6.931 18.594 23.327 1.00 0.00 H new ATOM 0 HB1 ALA B 42 6.663 20.368 25.056 1.00 0.00 H new ATOM 0 HB2 ALA B 42 5.089 19.792 24.457 1.00 0.00 H new ATOM 0 HB3 ALA B 42 5.692 19.248 26.041 1.00 0.00 H new ATOM 1709 N PHE B 43 9.105 18.528 24.518 1.00 0.00 N ATOM 1710 CA PHE B 43 10.477 18.167 24.879 1.00 0.00 C ATOM 1711 C PHE B 43 11.373 19.421 24.977 1.00 0.00 C ATOM 1712 O PHE B 43 11.706 20.012 23.937 1.00 0.00 O ATOM 1713 CB PHE B 43 11.021 17.184 23.832 1.00 0.00 C ATOM 1714 CG PHE B 43 10.195 15.927 23.662 1.00 0.00 C ATOM 1715 CD1 PHE B 43 9.237 15.840 22.631 1.00 0.00 C ATOM 1716 CD2 PHE B 43 10.349 14.860 24.567 1.00 0.00 C ATOM 1717 CE1 PHE B 43 8.425 14.699 22.518 1.00 0.00 C ATOM 1718 CE2 PHE B 43 9.540 13.718 24.453 1.00 0.00 C ATOM 1719 CZ PHE B 43 8.575 13.637 23.431 1.00 0.00 C ATOM 0 H PHE B 43 9.062 19.262 23.811 1.00 0.00 H new ATOM 0 HA PHE B 43 10.480 17.692 25.860 1.00 0.00 H new ATOM 0 HB2 PHE B 43 11.084 17.695 22.871 1.00 0.00 H new ATOM 0 HB3 PHE B 43 12.036 16.902 24.110 1.00 0.00 H new ATOM 0 HD1 PHE B 43 9.127 16.652 21.927 1.00 0.00 H new ATOM 0 HD2 PHE B 43 11.090 14.920 25.350 1.00 0.00 H new ATOM 0 HE1 PHE B 43 7.687 14.636 21.732 1.00 0.00 H new ATOM 0 HE2 PHE B 43 9.658 12.901 25.150 1.00 0.00 H new ATOM 0 HZ PHE B 43 7.950 12.760 23.347 1.00 0.00 H new ATOM 1729 N PRO B 44 11.768 19.858 26.189 1.00 0.00 N ATOM 1730 CA PRO B 44 12.648 21.005 26.370 1.00 0.00 C ATOM 1731 C PRO B 44 14.083 20.696 25.919 1.00 0.00 C ATOM 1732 O PRO B 44 14.589 19.581 26.082 1.00 0.00 O ATOM 1733 CB PRO B 44 12.570 21.359 27.858 1.00 0.00 C ATOM 1734 CG PRO B 44 12.277 20.013 28.520 1.00 0.00 C ATOM 1735 CD PRO B 44 11.400 19.303 27.490 1.00 0.00 C ATOM 0 HA PRO B 44 12.337 21.848 25.753 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.503 21.791 28.219 1.00 0.00 H new ATOM 0 HB3 PRO B 44 11.783 22.087 28.059 1.00 0.00 H new ATOM 0 HG2 PRO B 44 13.192 19.456 28.723 1.00 0.00 H new ATOM 0 HG3 PRO B 44 11.761 20.136 29.472 1.00 0.00 H new ATOM 0 HD2 PRO B 44 11.565 18.226 27.514 1.00 0.00 H new ATOM 0 HD3 PRO B 44 10.343 19.468 27.699 1.00 0.00 H new ATOM 1743 N GLY B 45 14.754 21.704 25.355 1.00 0.00 N ATOM 1744 CA GLY B 45 16.166 21.633 24.945 1.00 0.00 C ATOM 1745 C GLY B 45 16.427 20.843 23.660 1.00 0.00 C ATOM 1746 O GLY B 45 17.575 20.473 23.410 1.00 0.00 O ATOM 0 H GLY B 45 14.326 22.610 25.166 1.00 0.00 H new ATOM 0 HA2 GLY B 45 16.542 22.648 24.813 1.00 0.00 H new ATOM 0 HA3 GLY B 45 16.742 21.183 25.754 1.00 0.00 H new ATOM 1750 N LEU B 46 15.404 20.579 22.844 1.00 0.00 N ATOM 1751 CA LEU B 46 15.531 20.010 21.495 1.00 0.00 C ATOM 1752 C LEU B 46 15.267 21.052 20.395 1.00 0.00 C ATOM 1753 O LEU B 46 14.622 22.076 20.626 1.00 0.00 O ATOM 1754 CB LEU B 46 14.588 18.799 21.328 1.00 0.00 C ATOM 1755 CG LEU B 46 14.801 17.623 22.305 1.00 0.00 C ATOM 1756 CD1 LEU B 46 13.938 16.444 21.856 1.00 0.00 C ATOM 1757 CD2 LEU B 46 16.248 17.121 22.346 1.00 0.00 C ATOM 0 H LEU B 46 14.436 20.759 23.109 1.00 0.00 H new ATOM 0 HA LEU B 46 16.563 19.677 21.383 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.561 19.149 21.433 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.694 18.422 20.311 1.00 0.00 H new ATOM 0 HG LEU B 46 14.535 17.994 23.295 1.00 0.00 H new ATOM 0 HD11 LEU B 46 14.081 15.607 22.540 1.00 0.00 H new ATOM 0 HD12 LEU B 46 12.889 16.739 21.858 1.00 0.00 H new ATOM 0 HD13 LEU B 46 14.228 16.143 20.849 1.00 0.00 H new ATOM 0 HD21 LEU B 46 16.327 16.295 23.052 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.543 16.780 21.354 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.905 17.931 22.661 1.00 0.00 H new ATOM 1769 N ALA B 47 15.713 20.733 19.180 1.00 0.00 N ATOM 1770 CA ALA B 47 15.389 21.415 17.925 1.00 0.00 C ATOM 1771 C ALA B 47 15.121 20.390 16.801 1.00 0.00 C ATOM 1772 O ALA B 47 15.595 19.254 16.857 1.00 0.00 O ATOM 1773 CB ALA B 47 16.534 22.373 17.569 1.00 0.00 C ATOM 0 H ALA B 47 16.347 19.947 19.036 1.00 0.00 H new ATOM 0 HA ALA B 47 14.475 21.997 18.043 1.00 0.00 H new ATOM 0 HB1 ALA B 47 16.302 22.886 16.636 1.00 0.00 H new ATOM 0 HB2 ALA B 47 16.656 23.107 18.366 1.00 0.00 H new ATOM 0 HB3 ALA B 47 17.459 21.808 17.452 1.00 0.00 H new ATOM 1779 N ILE B 48 14.359 20.778 15.774 1.00 0.00 N ATOM 1780 CA ILE B 48 14.085 19.927 14.600 1.00 0.00 C ATOM 1781 C ILE B 48 15.341 19.880 13.708 1.00 0.00 C ATOM 1782 O ILE B 48 15.822 20.920 13.249 1.00 0.00 O ATOM 1783 CB ILE B 48 12.837 20.422 13.830 1.00 0.00 C ATOM 1784 CG1 ILE B 48 11.579 20.529 14.731 1.00 0.00 C ATOM 1785 CG2 ILE B 48 12.535 19.491 12.636 1.00 0.00 C ATOM 1786 CD1 ILE B 48 10.449 21.358 14.103 1.00 0.00 C ATOM 0 H ILE B 48 13.911 21.693 15.728 1.00 0.00 H new ATOM 0 HA ILE B 48 13.858 18.913 14.929 1.00 0.00 H new ATOM 0 HB ILE B 48 13.072 21.424 13.472 1.00 0.00 H new ATOM 0 HG12 ILE B 48 11.208 19.527 14.946 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.861 20.976 15.685 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.654 19.854 12.106 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.388 19.480 11.958 1.00 0.00 H new ATOM 0 HG23 ILE B 48 12.349 18.481 13.000 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.600 21.392 14.786 1.00 0.00 H new ATOM 0 HD12 ILE B 48 10.803 22.371 13.914 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.141 20.900 13.163 1.00 0.00 H new ATOM 1798 N GLY B 49 15.898 18.682 13.491 1.00 0.00 N ATOM 1799 CA GLY B 49 17.179 18.472 12.792 1.00 0.00 C ATOM 1800 C GLY B 49 17.038 18.050 11.328 1.00 0.00 C ATOM 1801 O GLY B 49 17.755 18.569 10.468 1.00 0.00 O ATOM 0 H GLY B 49 15.465 17.812 13.801 1.00 0.00 H new ATOM 0 HA2 GLY B 49 17.759 19.394 12.838 1.00 0.00 H new ATOM 0 HA3 GLY B 49 17.749 17.710 13.324 1.00 0.00 H new ATOM 1805 N ARG B 50 16.100 17.139 11.017 1.00 0.00 N ATOM 1806 CA ARG B 50 15.858 16.608 9.663 1.00 0.00 C ATOM 1807 C ARG B 50 14.392 16.220 9.460 1.00 0.00 C ATOM 1808 O ARG B 50 13.738 15.748 10.386 1.00 0.00 O ATOM 1809 CB ARG B 50 16.829 15.442 9.407 1.00 0.00 C ATOM 1810 CG ARG B 50 16.610 14.735 8.058 1.00 0.00 C ATOM 1811 CD ARG B 50 17.758 13.767 7.758 1.00 0.00 C ATOM 1812 NE ARG B 50 17.473 12.983 6.550 1.00 0.00 N ATOM 1813 CZ ARG B 50 18.270 12.120 5.948 1.00 0.00 C ATOM 1814 NH1 ARG B 50 19.508 11.927 6.313 1.00 0.00 N1+ ATOM 1815 NH2 ARG B 50 17.821 11.417 4.951 1.00 0.00 N ATOM 0 H ARG B 50 15.473 16.741 11.717 1.00 0.00 H new ATOM 0 HA ARG B 50 16.053 17.385 8.924 1.00 0.00 H new ATOM 0 HB2 ARG B 50 17.851 15.818 9.448 1.00 0.00 H new ATOM 0 HB3 ARG B 50 16.725 14.712 10.210 1.00 0.00 H new ATOM 0 HG2 ARG B 50 15.665 14.191 8.077 1.00 0.00 H new ATOM 0 HG3 ARG B 50 16.536 15.476 7.262 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.685 14.325 7.625 1.00 0.00 H new ATOM 0 HD3 ARG B 50 17.907 13.098 8.605 1.00 0.00 H new ATOM 0 HE ARG B 50 16.555 13.121 6.128 1.00 0.00 H new ATOM 0 HH11 ARG B 50 19.897 12.455 7.094 1.00 0.00 H new ATOM 0 HH12 ARG B 50 20.086 11.249 5.817 1.00 0.00 H new ATOM 0 HH21 ARG B 50 16.857 11.534 4.638 1.00 0.00 H new ATOM 0 HH22 ARG B 50 18.432 10.749 4.482 1.00 0.00 H new ATOM 1829 N VAL B 51 13.891 16.416 8.241 1.00 0.00 N ATOM 1830 CA VAL B 51 12.490 16.239 7.831 1.00 0.00 C ATOM 1831 C VAL B 51 12.465 15.588 6.446 1.00 0.00 C ATOM 1832 O VAL B 51 12.727 16.259 5.448 1.00 0.00 O ATOM 1833 CB VAL B 51 11.783 17.620 7.786 1.00 0.00 C ATOM 1834 CG1 VAL B 51 10.321 17.503 7.334 1.00 0.00 C ATOM 1835 CG2 VAL B 51 11.825 18.360 9.130 1.00 0.00 C ATOM 0 H VAL B 51 14.481 16.720 7.466 1.00 0.00 H new ATOM 0 HA VAL B 51 11.966 15.602 8.544 1.00 0.00 H new ATOM 0 HB VAL B 51 12.346 18.200 7.055 1.00 0.00 H new ATOM 0 HG11 VAL B 51 9.865 18.493 7.317 1.00 0.00 H new ATOM 0 HG12 VAL B 51 10.283 17.069 6.335 1.00 0.00 H new ATOM 0 HG13 VAL B 51 9.775 16.864 8.029 1.00 0.00 H new ATOM 0 HG21 VAL B 51 11.314 19.318 9.034 1.00 0.00 H new ATOM 0 HG22 VAL B 51 11.328 17.759 9.892 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.862 18.529 9.420 1.00 0.00 H new ATOM 1845 N ASP B 52 12.131 14.297 6.369 1.00 0.00 N ATOM 1846 CA ASP B 52 11.992 13.554 5.104 1.00 0.00 C ATOM 1847 C ASP B 52 10.517 13.217 4.854 1.00 0.00 C ATOM 1848 O ASP B 52 9.916 12.430 5.587 1.00 0.00 O ATOM 1849 CB ASP B 52 12.833 12.263 5.110 1.00 0.00 C ATOM 1850 CG ASP B 52 14.358 12.431 5.140 1.00 0.00 C ATOM 1851 OD1 ASP B 52 15.056 11.415 4.910 1.00 0.00 O ATOM 1852 OD2 ASP B 52 14.903 13.523 5.407 1.00 0.00 O1- ATOM 0 H ASP B 52 11.946 13.726 7.194 1.00 0.00 H new ATOM 0 HA ASP B 52 12.362 14.190 4.300 1.00 0.00 H new ATOM 0 HB2 ASP B 52 12.539 11.670 5.976 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.572 11.684 4.224 1.00 0.00 H new ATOM 1857 N LEU B 53 9.912 13.811 3.820 1.00 0.00 N ATOM 1858 CA LEU B 53 8.466 13.698 3.564 1.00 0.00 C ATOM 1859 C LEU B 53 8.087 12.459 2.738 1.00 0.00 C ATOM 1860 O LEU B 53 6.979 11.939 2.882 1.00 0.00 O ATOM 1861 CB LEU B 53 7.981 14.986 2.879 1.00 0.00 C ATOM 1862 CG LEU B 53 8.278 16.274 3.667 1.00 0.00 C ATOM 1863 CD1 LEU B 53 7.956 17.461 2.769 1.00 0.00 C ATOM 1864 CD2 LEU B 53 7.443 16.372 4.945 1.00 0.00 C ATOM 0 H LEU B 53 10.407 14.383 3.136 1.00 0.00 H new ATOM 0 HA LEU B 53 7.968 13.570 4.525 1.00 0.00 H new ATOM 0 HB2 LEU B 53 8.448 15.059 1.897 1.00 0.00 H new ATOM 0 HB3 LEU B 53 6.906 14.914 2.716 1.00 0.00 H new ATOM 0 HG LEU B 53 9.328 16.267 3.961 1.00 0.00 H new ATOM 0 HD11 LEU B 53 8.158 18.388 3.305 1.00 0.00 H new ATOM 0 HD12 LEU B 53 8.575 17.418 1.873 1.00 0.00 H new ATOM 0 HD13 LEU B 53 6.904 17.428 2.486 1.00 0.00 H new ATOM 0 HD21 LEU B 53 7.686 17.297 5.468 1.00 0.00 H new ATOM 0 HD22 LEU B 53 6.384 16.368 4.689 1.00 0.00 H new ATOM 0 HD23 LEU B 53 7.664 15.521 5.590 1.00 0.00 H new ATOM 1876 N ARG B 54 9.010 11.954 1.909 1.00 0.00 N ATOM 1877 CA ARG B 54 8.834 10.727 1.109 1.00 0.00 C ATOM 1878 C ARG B 54 8.745 9.470 1.994 1.00 0.00 C ATOM 1879 O ARG B 54 7.886 8.616 1.774 1.00 0.00 O ATOM 1880 CB ARG B 54 9.979 10.657 0.084 1.00 0.00 C ATOM 1881 CG ARG B 54 9.914 9.400 -0.805 1.00 0.00 C ATOM 1882 CD ARG B 54 10.882 9.478 -1.997 1.00 0.00 C ATOM 1883 NE ARG B 54 12.291 9.606 -1.571 1.00 0.00 N ATOM 1884 CZ ARG B 54 13.323 9.914 -2.343 1.00 0.00 C ATOM 1885 NH1 ARG B 54 13.200 10.104 -3.628 1.00 0.00 N1+ ATOM 1886 NH2 ARG B 54 14.516 10.036 -1.835 1.00 0.00 N ATOM 0 H ARG B 54 9.920 12.393 1.770 1.00 0.00 H new ATOM 0 HA ARG B 54 7.883 10.763 0.577 1.00 0.00 H new ATOM 0 HB2 ARG B 54 9.948 11.544 -0.548 1.00 0.00 H new ATOM 0 HB3 ARG B 54 10.933 10.674 0.611 1.00 0.00 H new ATOM 0 HG2 ARG B 54 10.150 8.521 -0.205 1.00 0.00 H new ATOM 0 HG3 ARG B 54 8.896 9.271 -1.174 1.00 0.00 H new ATOM 0 HD2 ARG B 54 10.771 8.584 -2.611 1.00 0.00 H new ATOM 0 HD3 ARG B 54 10.616 10.330 -2.623 1.00 0.00 H new ATOM 0 HE ARG B 54 12.489 9.441 -0.584 1.00 0.00 H new ATOM 0 HH11 ARG B 54 12.285 10.017 -4.071 1.00 0.00 H new ATOM 0 HH12 ARG B 54 14.018 10.340 -4.189 1.00 0.00 H new ATOM 0 HH21 ARG B 54 14.662 9.894 -0.835 1.00 0.00 H new ATOM 0 HH22 ARG B 54 15.305 10.273 -2.437 1.00 0.00 H new ATOM 1900 N SER B 55 9.595 9.378 3.018 1.00 0.00 N ATOM 1901 CA SER B 55 9.558 8.313 4.040 1.00 0.00 C ATOM 1902 C SER B 55 8.621 8.622 5.216 1.00 0.00 C ATOM 1903 O SER B 55 8.163 7.701 5.897 1.00 0.00 O ATOM 1904 CB SER B 55 10.978 8.056 4.550 1.00 0.00 C ATOM 1905 OG SER B 55 11.522 9.219 5.150 1.00 0.00 O ATOM 0 H SER B 55 10.346 10.052 3.169 1.00 0.00 H new ATOM 0 HA SER B 55 9.154 7.422 3.559 1.00 0.00 H new ATOM 0 HB2 SER B 55 10.966 7.241 5.274 1.00 0.00 H new ATOM 0 HB3 SER B 55 11.613 7.738 3.723 1.00 0.00 H new ATOM 0 HG SER B 55 12.429 9.029 5.469 1.00 0.00 H new ATOM 1911 N GLY B 56 8.298 9.898 5.448 1.00 0.00 N ATOM 1912 CA GLY B 56 7.437 10.357 6.546 1.00 0.00 C ATOM 1913 C GLY B 56 8.132 10.300 7.912 1.00 0.00 C ATOM 1914 O GLY B 56 7.555 9.788 8.871 1.00 0.00 O ATOM 0 H GLY B 56 8.636 10.662 4.863 1.00 0.00 H new ATOM 0 HA2 GLY B 56 7.119 11.381 6.348 1.00 0.00 H new ATOM 0 HA3 GLY B 56 6.537 9.743 6.576 1.00 0.00 H new ATOM 1918 N VAL B 57 9.377 10.781 8.006 1.00 0.00 N ATOM 1919 CA VAL B 57 10.198 10.731 9.237 1.00 0.00 C ATOM 1920 C VAL B 57 10.781 12.103 9.577 1.00 0.00 C ATOM 1921 O VAL B 57 11.344 12.785 8.722 1.00 0.00 O ATOM 1922 CB VAL B 57 11.315 9.664 9.134 1.00 0.00 C ATOM 1923 CG1 VAL B 57 12.108 9.550 10.442 1.00 0.00 C ATOM 1924 CG2 VAL B 57 10.749 8.275 8.816 1.00 0.00 C ATOM 0 H VAL B 57 9.856 11.224 7.222 1.00 0.00 H new ATOM 0 HA VAL B 57 9.536 10.439 10.052 1.00 0.00 H new ATOM 0 HB VAL B 57 11.967 9.995 8.325 1.00 0.00 H new ATOM 0 HG11 VAL B 57 12.883 8.792 10.333 1.00 0.00 H new ATOM 0 HG12 VAL B 57 12.570 10.510 10.673 1.00 0.00 H new ATOM 0 HG13 VAL B 57 11.435 9.267 11.252 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.565 7.555 8.752 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.060 7.973 9.605 1.00 0.00 H new ATOM 0 HG23 VAL B 57 10.219 8.307 7.864 1.00 0.00 H new ATOM 1934 N ILE B 58 10.664 12.490 10.849 1.00 0.00 N ATOM 1935 CA ILE B 58 11.206 13.730 11.428 1.00 0.00 C ATOM 1936 C ILE B 58 12.170 13.359 12.563 1.00 0.00 C ATOM 1937 O ILE B 58 11.817 12.592 13.461 1.00 0.00 O ATOM 1938 CB ILE B 58 10.058 14.658 11.885 1.00 0.00 C ATOM 1939 CG1 ILE B 58 9.204 15.108 10.675 1.00 0.00 C ATOM 1940 CG2 ILE B 58 10.599 15.886 12.647 1.00 0.00 C ATOM 1941 CD1 ILE B 58 7.901 15.811 11.054 1.00 0.00 C ATOM 0 H ILE B 58 10.167 11.925 11.538 1.00 0.00 H new ATOM 0 HA ILE B 58 11.767 14.292 10.682 1.00 0.00 H new ATOM 0 HB ILE B 58 9.425 14.090 12.567 1.00 0.00 H new ATOM 0 HG12 ILE B 58 9.798 15.779 10.055 1.00 0.00 H new ATOM 0 HG13 ILE B 58 8.969 14.235 10.066 1.00 0.00 H new ATOM 0 HG21 ILE B 58 9.767 16.519 12.955 1.00 0.00 H new ATOM 0 HG22 ILE B 58 11.148 15.554 13.528 1.00 0.00 H new ATOM 0 HG23 ILE B 58 11.265 16.453 11.997 1.00 0.00 H new ATOM 0 HD11 ILE B 58 7.363 16.093 10.149 1.00 0.00 H new ATOM 0 HD12 ILE B 58 7.283 15.137 11.648 1.00 0.00 H new ATOM 0 HD13 ILE B 58 8.126 16.705 11.636 1.00 0.00 H new ATOM 1953 N SER B 59 13.381 13.911 12.543 1.00 0.00 N ATOM 1954 CA SER B 59 14.450 13.642 13.512 1.00 0.00 C ATOM 1955 C SER B 59 14.801 14.907 14.298 1.00 0.00 C ATOM 1956 O SER B 59 15.054 15.964 13.709 1.00 0.00 O ATOM 1957 CB SER B 59 15.679 13.098 12.783 1.00 0.00 C ATOM 1958 OG SER B 59 16.700 12.745 13.700 1.00 0.00 O ATOM 0 H SER B 59 13.659 14.583 11.827 1.00 0.00 H new ATOM 0 HA SER B 59 14.102 12.894 14.224 1.00 0.00 H new ATOM 0 HB2 SER B 59 15.399 12.226 12.192 1.00 0.00 H new ATOM 0 HB3 SER B 59 16.054 13.848 12.087 1.00 0.00 H new ATOM 0 HG SER B 59 17.474 12.398 13.210 1.00 0.00 H new ATOM 1964 N LEU B 60 14.814 14.810 15.630 1.00 0.00 N ATOM 1965 CA LEU B 60 15.181 15.900 16.539 1.00 0.00 C ATOM 1966 C LEU B 60 16.641 15.776 17.020 1.00 0.00 C ATOM 1967 O LEU B 60 17.179 14.674 17.152 1.00 0.00 O ATOM 1968 CB LEU B 60 14.207 15.972 17.729 1.00 0.00 C ATOM 1969 CG LEU B 60 12.705 15.940 17.384 1.00 0.00 C ATOM 1970 CD1 LEU B 60 11.881 16.169 18.650 1.00 0.00 C ATOM 1971 CD2 LEU B 60 12.304 17.006 16.358 1.00 0.00 C ATOM 0 H LEU B 60 14.564 13.950 16.119 1.00 0.00 H new ATOM 0 HA LEU B 60 15.105 16.833 15.981 1.00 0.00 H new ATOM 0 HB2 LEU B 60 14.422 15.139 18.398 1.00 0.00 H new ATOM 0 HB3 LEU B 60 14.411 16.888 18.284 1.00 0.00 H new ATOM 0 HG LEU B 60 12.509 14.960 16.950 1.00 0.00 H new ATOM 0 HD11 LEU B 60 10.820 16.146 18.403 1.00 0.00 H new ATOM 0 HD12 LEU B 60 12.102 15.385 19.375 1.00 0.00 H new ATOM 0 HD13 LEU B 60 12.133 17.140 19.077 1.00 0.00 H new ATOM 0 HD21 LEU B 60 11.235 16.933 16.156 1.00 0.00 H new ATOM 0 HD22 LEU B 60 12.532 17.996 16.754 1.00 0.00 H new ATOM 0 HD23 LEU B 60 12.859 16.848 15.433 1.00 0.00 H new ATOM 1983 N ILE B 61 17.257 16.918 17.321 1.00 0.00 N ATOM 1984 CA ILE B 61 18.631 17.052 17.836 1.00 0.00 C ATOM 1985 C ILE B 61 18.664 17.929 19.093 1.00 0.00 C ATOM 1986 O ILE B 61 17.737 18.693 19.362 1.00 0.00 O ATOM 1987 CB ILE B 61 19.596 17.577 16.738 1.00 0.00 C ATOM 1988 CG1 ILE B 61 19.278 19.022 16.276 1.00 0.00 C ATOM 1989 CG2 ILE B 61 19.635 16.614 15.538 1.00 0.00 C ATOM 1990 CD1 ILE B 61 20.117 20.099 16.973 1.00 0.00 C ATOM 0 H ILE B 61 16.796 17.821 17.209 1.00 0.00 H new ATOM 0 HA ILE B 61 18.982 16.060 18.122 1.00 0.00 H new ATOM 0 HB ILE B 61 20.585 17.616 17.196 1.00 0.00 H new ATOM 0 HG12 ILE B 61 19.438 19.092 15.200 1.00 0.00 H new ATOM 0 HG13 ILE B 61 18.222 19.226 16.456 1.00 0.00 H new ATOM 0 HG21 ILE B 61 20.317 17.002 14.782 1.00 0.00 H new ATOM 0 HG22 ILE B 61 19.980 15.634 15.869 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.636 16.522 15.112 1.00 0.00 H new ATOM 0 HD11 ILE B 61 19.835 21.082 16.595 1.00 0.00 H new ATOM 0 HD12 ILE B 61 19.940 20.059 18.048 1.00 0.00 H new ATOM 0 HD13 ILE B 61 21.174 19.923 16.773 1.00 0.00 H new ATOM 2002 N GLU B 62 19.737 17.818 19.874 1.00 0.00 N ATOM 2003 CA GLU B 62 19.905 18.531 21.144 1.00 0.00 C ATOM 2004 C GLU B 62 20.324 19.999 20.932 1.00 0.00 C ATOM 2005 O GLU B 62 21.420 20.287 20.444 1.00 0.00 O ATOM 2006 CB GLU B 62 20.911 17.784 22.035 1.00 0.00 C ATOM 2007 CG GLU B 62 20.360 16.434 22.526 1.00 0.00 C ATOM 2008 CD GLU B 62 20.940 16.032 23.896 1.00 0.00 C ATOM 2009 OE1 GLU B 62 21.742 15.069 23.976 1.00 0.00 O ATOM 2010 OE2 GLU B 62 20.587 16.681 24.913 1.00 0.00 O1- ATOM 0 H GLU B 62 20.529 17.220 19.640 1.00 0.00 H new ATOM 0 HA GLU B 62 18.939 18.554 21.649 1.00 0.00 H new ATOM 0 HB2 GLU B 62 21.833 17.618 21.478 1.00 0.00 H new ATOM 0 HB3 GLU B 62 21.165 18.405 22.894 1.00 0.00 H new ATOM 0 HG2 GLU B 62 19.274 16.491 22.596 1.00 0.00 H new ATOM 0 HG3 GLU B 62 20.593 15.661 21.794 1.00 0.00 H new