USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 489 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 NoAdj-H: A 1 ARG H1 : A 1 ARG N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 ARG H2 : A 1 ARG N : cyclic :(NH2R) USER MOD Single : A 1 ARG N :NH3+ -147:sc= 0 (180deg=-0.854!) USER MOD Single : A 4 HIS : no HD1:sc= -0.0338 X(o=-0.034,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0352 X(o=-0.035,f=-0.47) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.34 USER MOD Single : A 27 SER OG : rot -43:sc= 0.224 USER MOD Single : A 32 ASN : amide:sc= -0.0383 X(o=-0.038,f=-0.058) USER MOD Single : A 33 GLN : amide:sc= -3.86! C(o=-3.9!,f=-8.7!) USER MOD Single : A 40 LYS NZ :NH3+ 147:sc= 0.438 (180deg=-4!) USER MOD Single : A 42 THR OG1 : rot 66:sc= -0.171 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 15.073 16.468 26.686 1.00 99.99 N ATOM 2 CA ARG A 1 13.840 16.544 27.444 1.00 0.00 C ATOM 3 C ARG A 1 13.096 17.831 27.105 1.00 0.00 C ATOM 4 O ARG A 1 11.902 17.808 26.802 1.00 0.00 O ATOM 5 CB ARG A 1 14.175 15.776 26.165 1.00 0.00 C ATOM 6 CG ARG A 1 14.781 14.405 26.419 1.00 0.00 C ATOM 7 CD ARG A 1 15.072 13.676 25.117 1.00 0.00 C ATOM 8 NE ARG A 1 15.751 12.403 25.344 1.00 0.00 N ATOM 9 CZ ARG A 1 15.131 11.289 25.729 1.00 0.00 C ATOM 10 NH1 ARG A 1 13.819 11.290 25.933 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.823 10.174 25.911 1.00 0.00 N ATOM 0 H3 ARG A 1 15.282 15.474 26.462 1.00 99.99 H new ATOM 0 HA ARG A 1 13.469 16.360 28.452 1.00 0.00 H new ATOM 0 HB2 ARG A 1 13.267 15.659 25.573 1.00 0.00 H new ATOM 0 HB3 ARG A 1 14.870 16.366 25.568 1.00 0.00 H new ATOM 0 HG2 ARG A 1 15.703 14.513 26.991 1.00 0.00 H new ATOM 0 HG3 ARG A 1 14.098 13.810 27.026 1.00 0.00 H new ATOM 0 HD2 ARG A 1 14.138 13.499 24.584 1.00 0.00 H new ATOM 0 HD3 ARG A 1 15.689 14.307 24.478 1.00 0.00 H new ATOM 0 HE ARG A 1 16.760 12.365 25.199 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.282 12.146 25.795 1.00 0.00 H new ATOM 0 HH12 ARG A 1 13.348 10.435 26.228 1.00 0.00 H new ATOM 0 HH21 ARG A 1 16.831 10.168 25.756 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.348 9.321 26.206 1.00 0.00 H new ATOM 27 N ARG A 2 13.807 18.952 27.157 1.00 0.00 N ATOM 28 CA ARG A 2 13.213 20.249 26.854 1.00 0.00 C ATOM 29 C ARG A 2 14.230 21.180 26.197 1.00 0.00 C ATOM 30 O ARG A 2 14.066 22.400 26.212 1.00 0.00 O ATOM 31 CB ARG A 2 12.666 20.892 28.129 1.00 0.00 C ATOM 32 CG ARG A 2 11.736 22.065 27.869 1.00 0.00 C ATOM 33 CD ARG A 2 10.984 22.473 29.126 1.00 0.00 C ATOM 34 NE ARG A 2 11.206 23.876 29.467 1.00 0.00 N ATOM 35 CZ ARG A 2 10.657 24.894 28.810 1.00 0.00 C ATOM 36 NH1 ARG A 2 9.853 24.671 27.777 1.00 0.00 N ATOM 37 NH2 ARG A 2 10.911 26.141 29.186 1.00 0.00 N ATOM 0 H ARG A 2 14.795 18.989 27.406 1.00 0.00 H new ATOM 0 HA ARG A 2 12.393 20.088 26.154 1.00 0.00 H new ATOM 0 HB2 ARG A 2 12.132 20.137 28.706 1.00 0.00 H new ATOM 0 HB3 ARG A 2 13.501 21.230 28.742 1.00 0.00 H new ATOM 0 HG2 ARG A 2 12.313 22.912 27.499 1.00 0.00 H new ATOM 0 HG3 ARG A 2 11.023 21.799 27.088 1.00 0.00 H new ATOM 0 HD2 ARG A 2 9.918 22.299 28.983 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.300 21.844 29.958 1.00 0.00 H new ATOM 0 HE ARG A 2 11.818 24.087 30.255 1.00 0.00 H new ATOM 0 HH11 ARG A 2 9.653 23.715 27.483 1.00 0.00 H new ATOM 0 HH12 ARG A 2 9.435 25.456 27.277 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.527 26.319 29.979 1.00 0.00 H new ATOM 0 HH22 ARG A 2 10.490 26.921 28.682 1.00 0.00 H new ATOM 51 N ARG A 3 15.281 20.601 25.624 1.00 0.00 N ATOM 52 CA ARG A 3 16.322 21.386 24.968 1.00 0.00 C ATOM 53 C ARG A 3 16.465 21.006 23.495 1.00 0.00 C ATOM 54 O ARG A 3 17.083 21.734 22.718 1.00 0.00 O ATOM 55 CB ARG A 3 17.659 21.197 25.686 1.00 0.00 C ATOM 56 CG ARG A 3 17.765 21.976 26.987 1.00 0.00 C ATOM 57 CD ARG A 3 19.207 22.080 27.461 1.00 0.00 C ATOM 58 NE ARG A 3 19.460 21.243 28.631 1.00 0.00 N ATOM 59 CZ ARG A 3 19.076 21.557 29.865 1.00 0.00 C ATOM 60 NH1 ARG A 3 18.420 22.688 30.096 1.00 0.00 N ATOM 61 NH2 ARG A 3 19.346 20.739 30.872 1.00 0.00 N ATOM 0 H ARG A 3 15.434 19.593 25.601 1.00 0.00 H new ATOM 0 HA ARG A 3 16.029 22.435 25.020 1.00 0.00 H new ATOM 0 HB2 ARG A 3 17.804 20.137 25.894 1.00 0.00 H new ATOM 0 HB3 ARG A 3 18.466 21.505 25.021 1.00 0.00 H new ATOM 0 HG2 ARG A 3 17.354 22.976 26.848 1.00 0.00 H new ATOM 0 HG3 ARG A 3 17.163 21.488 27.754 1.00 0.00 H new ATOM 0 HD2 ARG A 3 19.876 21.785 26.653 1.00 0.00 H new ATOM 0 HD3 ARG A 3 19.436 23.118 27.702 1.00 0.00 H new ATOM 0 HE ARG A 3 19.961 20.365 28.493 1.00 0.00 H new ATOM 0 HH11 ARG A 3 18.208 23.321 29.325 1.00 0.00 H new ATOM 0 HH12 ARG A 3 18.128 22.924 31.044 1.00 0.00 H new ATOM 0 HH21 ARG A 3 19.849 19.868 30.701 1.00 0.00 H new ATOM 0 HH22 ARG A 3 19.051 20.980 31.818 1.00 0.00 H new ATOM 75 N HIS A 4 15.893 19.868 23.113 1.00 0.00 N ATOM 76 CA HIS A 4 15.966 19.405 21.732 1.00 0.00 C ATOM 77 C HIS A 4 17.408 19.147 21.319 1.00 0.00 C ATOM 78 O HIS A 4 18.023 19.959 20.627 1.00 0.00 O ATOM 79 CB HIS A 4 15.327 20.430 20.791 1.00 0.00 C ATOM 80 CG HIS A 4 13.963 20.869 21.223 1.00 0.00 C ATOM 81 ND1 HIS A 4 13.454 22.122 20.954 1.00 0.00 N ATOM 82 CD2 HIS A 4 12.997 20.213 21.909 1.00 0.00 C ATOM 83 CE1 HIS A 4 12.237 22.219 21.457 1.00 0.00 C ATOM 84 NE2 HIS A 4 11.935 21.074 22.040 1.00 0.00 N ATOM 0 H HIS A 4 15.375 19.251 23.739 1.00 0.00 H new ATOM 0 HA HIS A 4 15.415 18.467 21.662 1.00 0.00 H new ATOM 0 HB2 HIS A 4 15.976 21.303 20.723 1.00 0.00 H new ATOM 0 HB3 HIS A 4 15.262 20.002 19.791 1.00 0.00 H new ATOM 0 HD2 HIS A 4 13.052 19.201 22.283 1.00 0.00 H new ATOM 0 HE1 HIS A 4 11.597 23.087 21.401 1.00 0.00 H new ATOM 0 HE2 HIS A 4 11.055 20.863 22.511 1.00 0.00 H new ATOM 93 N ILE A 5 17.943 18.009 21.748 1.00 0.00 N ATOM 94 CA ILE A 5 19.311 17.640 21.421 1.00 0.00 C ATOM 95 C ILE A 5 19.369 16.250 20.802 1.00 0.00 C ATOM 96 O ILE A 5 18.606 15.356 21.170 1.00 0.00 O ATOM 97 CB ILE A 5 20.222 17.681 22.664 1.00 0.00 C ATOM 98 CG1 ILE A 5 21.649 17.262 22.302 1.00 0.00 C ATOM 99 CG2 ILE A 5 19.663 16.790 23.762 1.00 0.00 C ATOM 100 CD1 ILE A 5 22.709 17.949 23.135 1.00 0.00 C ATOM 0 H ILE A 5 17.448 17.327 22.323 1.00 0.00 H new ATOM 0 HA ILE A 5 19.672 18.372 20.698 1.00 0.00 H new ATOM 0 HB ILE A 5 20.252 18.706 23.035 1.00 0.00 H new ATOM 0 HG12 ILE A 5 21.745 16.183 22.424 1.00 0.00 H new ATOM 0 HG13 ILE A 5 21.827 17.480 21.249 1.00 0.00 H new ATOM 0 HG21 ILE A 5 20.318 16.830 24.632 1.00 0.00 H new ATOM 0 HG22 ILE A 5 18.668 17.137 24.041 1.00 0.00 H new ATOM 0 HG23 ILE A 5 19.602 15.763 23.401 1.00 0.00 H new ATOM 0 HD11 ILE A 5 23.695 17.605 22.825 1.00 0.00 H new ATOM 0 HD12 ILE A 5 22.640 19.028 22.994 1.00 0.00 H new ATOM 0 HD13 ILE A 5 22.556 17.710 24.187 1.00 0.00 H new ATOM 112 N VAL A 6 20.283 16.083 19.858 1.00 0.00 N ATOM 113 CA VAL A 6 20.458 14.808 19.173 1.00 0.00 C ATOM 114 C VAL A 6 19.206 14.430 18.386 1.00 0.00 C ATOM 115 O VAL A 6 18.572 13.410 18.659 1.00 0.00 O ATOM 116 CB VAL A 6 20.793 13.677 20.165 1.00 0.00 C ATOM 117 CG1 VAL A 6 21.158 12.403 19.419 1.00 0.00 C ATOM 118 CG2 VAL A 6 21.919 14.100 21.100 1.00 0.00 C ATOM 0 H VAL A 6 20.919 16.818 19.547 1.00 0.00 H new ATOM 0 HA VAL A 6 21.293 14.931 18.483 1.00 0.00 H new ATOM 0 HB VAL A 6 19.909 13.475 20.769 1.00 0.00 H new ATOM 0 HG11 VAL A 6 21.391 11.616 20.136 1.00 0.00 H new ATOM 0 HG12 VAL A 6 20.318 12.091 18.798 1.00 0.00 H new ATOM 0 HG13 VAL A 6 22.027 12.588 18.787 1.00 0.00 H new ATOM 0 HG21 VAL A 6 22.141 13.288 21.793 1.00 0.00 H new ATOM 0 HG22 VAL A 6 22.809 14.332 20.516 1.00 0.00 H new ATOM 0 HG23 VAL A 6 21.613 14.983 21.662 1.00 0.00 H new ATOM 128 N ARG A 7 18.857 15.258 17.408 1.00 0.00 N ATOM 129 CA ARG A 7 17.681 15.010 16.581 1.00 0.00 C ATOM 130 C ARG A 7 17.688 15.894 15.336 1.00 0.00 C ATOM 131 O ARG A 7 17.480 15.413 14.222 1.00 0.00 O ATOM 132 CB ARG A 7 16.405 15.256 17.388 1.00 0.00 C ATOM 133 CG ARG A 7 16.347 16.632 18.032 1.00 0.00 C ATOM 134 CD ARG A 7 15.328 16.677 19.158 1.00 0.00 C ATOM 135 NE ARG A 7 13.979 16.368 18.689 1.00 0.00 N ATOM 136 CZ ARG A 7 13.197 17.240 18.057 1.00 0.00 C ATOM 137 NH1 ARG A 7 13.626 18.473 17.814 1.00 0.00 N ATOM 138 NH2 ARG A 7 11.983 16.879 17.664 1.00 0.00 N ATOM 0 H ARG A 7 19.371 16.106 17.168 1.00 0.00 H new ATOM 0 HA ARG A 7 17.708 13.968 16.261 1.00 0.00 H new ATOM 0 HB2 ARG A 7 15.542 15.134 16.733 1.00 0.00 H new ATOM 0 HB3 ARG A 7 16.325 14.497 18.166 1.00 0.00 H new ATOM 0 HG2 ARG A 7 17.331 16.895 18.420 1.00 0.00 H new ATOM 0 HG3 ARG A 7 16.091 17.377 17.279 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.614 15.967 19.934 1.00 0.00 H new ATOM 0 HD3 ARG A 7 15.335 17.667 19.614 1.00 0.00 H new ATOM 0 HE ARG A 7 13.616 15.430 18.856 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.559 18.756 18.112 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.022 19.137 17.329 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.648 15.933 17.846 1.00 0.00 H new ATOM 0 HH22 ARG A 7 11.384 17.548 17.180 1.00 0.00 H new ATOM 152 N LYS A 8 17.922 17.188 15.533 1.00 0.00 N ATOM 153 CA LYS A 8 17.949 18.140 14.423 1.00 0.00 C ATOM 154 C LYS A 8 18.867 17.663 13.298 1.00 0.00 C ATOM 155 O LYS A 8 18.549 17.819 12.119 1.00 0.00 O ATOM 156 CB LYS A 8 18.391 19.524 14.911 1.00 0.00 C ATOM 157 CG LYS A 8 19.523 19.490 15.929 1.00 0.00 C ATOM 158 CD LYS A 8 20.727 20.290 15.455 1.00 0.00 C ATOM 159 CE LYS A 8 21.926 20.093 16.371 1.00 0.00 C ATOM 160 NZ LYS A 8 22.205 21.305 17.189 1.00 0.00 N ATOM 0 H LYS A 8 18.096 17.603 16.449 1.00 0.00 H new ATOM 0 HA LYS A 8 16.936 18.210 14.026 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.706 20.117 14.052 1.00 0.00 H new ATOM 0 HB3 LYS A 8 17.534 20.033 15.353 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.170 19.891 16.879 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.820 18.457 16.109 1.00 0.00 H new ATOM 0 HD2 LYS A 8 20.989 19.988 14.441 1.00 0.00 H new ATOM 0 HD3 LYS A 8 20.469 21.348 15.415 1.00 0.00 H new ATOM 0 HE2 LYS A 8 21.744 19.244 17.030 1.00 0.00 H new ATOM 0 HE3 LYS A 8 22.804 19.849 15.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.029 21.130 17.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.404 22.110 16.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.377 21.524 17.779 1.00 0.00 H new ATOM 174 N ARG A 9 20.006 17.084 13.667 1.00 0.00 N ATOM 175 CA ARG A 9 20.965 16.589 12.686 1.00 0.00 C ATOM 176 C ARG A 9 20.485 15.284 12.054 1.00 0.00 C ATOM 177 O ARG A 9 20.930 14.910 10.969 1.00 0.00 O ATOM 178 CB ARG A 9 22.331 16.377 13.341 1.00 0.00 C ATOM 179 CG ARG A 9 22.851 17.605 14.073 1.00 0.00 C ATOM 180 CD ARG A 9 23.466 17.238 15.413 1.00 0.00 C ATOM 181 NE ARG A 9 24.531 18.161 15.799 1.00 0.00 N ATOM 182 CZ ARG A 9 25.747 18.159 15.257 1.00 0.00 C ATOM 183 NH1 ARG A 9 26.053 17.291 14.300 1.00 0.00 N ATOM 184 NH2 ARG A 9 26.658 19.028 15.672 1.00 0.00 N ATOM 0 H ARG A 9 20.287 16.946 14.638 1.00 0.00 H new ATOM 0 HA ARG A 9 21.055 17.338 11.899 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.263 15.547 14.044 1.00 0.00 H new ATOM 0 HB3 ARG A 9 23.051 16.088 12.575 1.00 0.00 H new ATOM 0 HG2 ARG A 9 23.595 18.109 13.456 1.00 0.00 H new ATOM 0 HG3 ARG A 9 22.034 18.310 14.228 1.00 0.00 H new ATOM 0 HD2 ARG A 9 22.691 17.238 16.179 1.00 0.00 H new ATOM 0 HD3 ARG A 9 23.865 16.225 15.363 1.00 0.00 H new ATOM 0 HE ARG A 9 24.331 18.847 16.527 1.00 0.00 H new ATOM 0 HH11 ARG A 9 25.355 16.621 13.977 1.00 0.00 H new ATOM 0 HH12 ARG A 9 26.986 17.294 13.888 1.00 0.00 H new ATOM 0 HH21 ARG A 9 26.427 19.697 16.406 1.00 0.00 H new ATOM 0 HH22 ARG A 9 27.590 19.027 15.257 1.00 0.00 H new ATOM 198 N THR A 10 19.575 14.594 12.738 1.00 0.00 N ATOM 199 CA THR A 10 19.037 13.334 12.240 1.00 0.00 C ATOM 200 C THR A 10 17.816 13.579 11.359 1.00 0.00 C ATOM 201 O THR A 10 17.704 13.028 10.264 1.00 0.00 O ATOM 202 CB THR A 10 18.679 12.419 13.416 1.00 0.00 C ATOM 203 OG1 THR A 10 19.150 11.103 13.189 1.00 0.00 O ATOM 204 CG2 THR A 10 17.190 12.330 13.696 1.00 0.00 C ATOM 0 H THR A 10 19.196 14.888 13.638 1.00 0.00 H new ATOM 0 HA THR A 10 19.798 12.845 11.632 1.00 0.00 H new ATOM 0 HB THR A 10 19.162 12.874 14.281 1.00 0.00 H new ATOM 0 HG1 THR A 10 18.913 10.535 13.951 1.00 0.00 H new ATOM 0 HG21 THR A 10 17.018 11.664 14.542 1.00 0.00 H new ATOM 0 HG22 THR A 10 16.804 13.322 13.931 1.00 0.00 H new ATOM 0 HG23 THR A 10 16.677 11.940 12.817 1.00 0.00 H new ATOM 212 N LEU A 11 16.906 14.416 11.849 1.00 0.00 N ATOM 213 CA LEU A 11 15.695 14.745 11.112 1.00 0.00 C ATOM 214 C LEU A 11 16.029 15.503 9.830 1.00 0.00 C ATOM 215 O LEU A 11 15.162 15.723 8.985 1.00 0.00 O ATOM 216 CB LEU A 11 14.753 15.580 11.982 1.00 0.00 C ATOM 217 CG LEU A 11 15.342 16.893 12.499 1.00 0.00 C ATOM 218 CD1 LEU A 11 15.327 17.951 11.406 1.00 0.00 C ATOM 219 CD2 LEU A 11 14.575 17.375 13.721 1.00 0.00 C ATOM 0 H LEU A 11 16.987 14.878 12.755 1.00 0.00 H new ATOM 0 HA LEU A 11 15.198 13.813 10.844 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.855 15.804 11.406 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.442 14.978 12.836 1.00 0.00 H new ATOM 0 HG LEU A 11 16.377 16.716 12.791 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.750 18.879 11.792 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.920 17.607 10.558 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.301 18.127 11.084 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.007 18.310 14.076 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.530 17.536 13.455 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.637 16.624 14.509 1.00 0.00 H new ATOM 231 N ARG A 12 17.294 15.894 9.687 1.00 0.00 N ATOM 232 CA ARG A 12 17.735 16.617 8.510 1.00 0.00 C ATOM 233 C ARG A 12 18.050 15.658 7.363 1.00 0.00 C ATOM 234 O ARG A 12 18.178 16.076 6.213 1.00 0.00 O ATOM 235 CB ARG A 12 18.965 17.462 8.840 1.00 0.00 C ATOM 236 CG ARG A 12 19.029 18.769 8.064 1.00 0.00 C ATOM 237 CD ARG A 12 20.141 19.672 8.575 1.00 0.00 C ATOM 238 NE ARG A 12 20.866 20.315 7.482 1.00 0.00 N ATOM 239 CZ ARG A 12 21.572 21.436 7.616 1.00 0.00 C ATOM 240 NH1 ARG A 12 21.654 22.042 8.794 1.00 0.00 N ATOM 241 NH2 ARG A 12 22.199 21.954 6.568 1.00 0.00 N ATOM 0 H ARG A 12 18.027 15.719 10.375 1.00 0.00 H new ATOM 0 HA ARG A 12 16.925 17.274 8.193 1.00 0.00 H new ATOM 0 HB2 ARG A 12 18.969 17.682 9.908 1.00 0.00 H new ATOM 0 HB3 ARG A 12 19.863 16.880 8.631 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.189 18.557 7.007 1.00 0.00 H new ATOM 0 HG3 ARG A 12 18.073 19.287 8.144 1.00 0.00 H new ATOM 0 HD2 ARG A 12 19.718 20.435 9.228 1.00 0.00 H new ATOM 0 HD3 ARG A 12 20.836 19.087 9.177 1.00 0.00 H new ATOM 0 HE ARG A 12 20.829 19.879 6.561 1.00 0.00 H new ATOM 0 HH11 ARG A 12 21.174 21.649 9.604 1.00 0.00 H new ATOM 0 HH12 ARG A 12 22.197 22.900 8.889 1.00 0.00 H new ATOM 0 HH21 ARG A 12 22.140 21.494 5.660 1.00 0.00 H new ATOM 0 HH22 ARG A 12 22.740 22.813 6.670 1.00 0.00 H new ATOM 255 N ARG A 13 18.163 14.371 7.681 1.00 0.00 N ATOM 256 CA ARG A 13 18.450 13.360 6.672 1.00 0.00 C ATOM 257 C ARG A 13 17.170 12.949 5.955 1.00 0.00 C ATOM 258 O ARG A 13 17.171 12.701 4.749 1.00 0.00 O ATOM 259 CB ARG A 13 19.108 12.138 7.315 1.00 0.00 C ATOM 260 CG ARG A 13 20.566 12.356 7.684 1.00 0.00 C ATOM 261 CD ARG A 13 21.457 12.367 6.453 1.00 0.00 C ATOM 262 NE ARG A 13 22.713 13.074 6.690 1.00 0.00 N ATOM 263 CZ ARG A 13 22.830 14.400 6.681 1.00 0.00 C ATOM 264 NH1 ARG A 13 21.771 15.166 6.451 1.00 0.00 N ATOM 265 NH2 ARG A 13 24.010 14.963 6.905 1.00 0.00 N ATOM 0 H ARG A 13 18.060 14.006 8.628 1.00 0.00 H new ATOM 0 HA ARG A 13 19.139 13.786 5.943 1.00 0.00 H new ATOM 0 HB2 ARG A 13 18.552 11.866 8.212 1.00 0.00 H new ATOM 0 HB3 ARG A 13 19.038 11.294 6.628 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.670 13.301 8.218 1.00 0.00 H new ATOM 0 HG3 ARG A 13 20.892 11.568 8.363 1.00 0.00 H new ATOM 0 HD2 ARG A 13 21.670 11.342 6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 13 20.926 12.839 5.626 1.00 0.00 H new ATOM 0 HE ARG A 13 23.549 12.519 6.873 1.00 0.00 H new ATOM 0 HH11 ARG A 13 20.860 14.739 6.280 1.00 0.00 H new ATOM 0 HH12 ARG A 13 21.868 16.181 6.446 1.00 0.00 H new ATOM 0 HH21 ARG A 13 24.828 14.380 7.084 1.00 0.00 H new ATOM 0 HH22 ARG A 13 24.100 15.979 6.898 1.00 0.00 H new ATOM 279 N LEU A 14 16.077 12.888 6.708 1.00 0.00 N ATOM 280 CA LEU A 14 14.784 12.516 6.150 1.00 0.00 C ATOM 281 C LEU A 14 14.254 13.618 5.238 1.00 0.00 C ATOM 282 O LEU A 14 13.918 13.370 4.079 1.00 0.00 O ATOM 283 CB LEU A 14 13.780 12.238 7.270 1.00 0.00 C ATOM 284 CG LEU A 14 13.771 10.799 7.793 1.00 0.00 C ATOM 285 CD1 LEU A 14 14.610 10.684 9.057 1.00 0.00 C ATOM 286 CD2 LEU A 14 12.346 10.333 8.052 1.00 0.00 C ATOM 0 H LEU A 14 16.062 13.092 7.707 1.00 0.00 H new ATOM 0 HA LEU A 14 14.916 11.609 5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.993 12.909 8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 14 12.781 12.483 6.910 1.00 0.00 H new ATOM 0 HG LEU A 14 14.209 10.154 7.031 1.00 0.00 H new ATOM 0 HD11 LEU A 14 14.591 9.654 9.414 1.00 0.00 H new ATOM 0 HD12 LEU A 14 15.638 10.974 8.839 1.00 0.00 H new ATOM 0 HD13 LEU A 14 14.203 11.341 9.825 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.360 9.308 8.423 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.880 10.981 8.794 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.775 10.375 7.124 1.00 0.00 H new ATOM 298 N LEU A 15 14.180 14.837 5.768 1.00 0.00 N ATOM 299 CA LEU A 15 13.690 15.976 4.999 1.00 0.00 C ATOM 300 C LEU A 15 14.502 16.166 3.721 1.00 0.00 C ATOM 301 O LEU A 15 13.983 16.638 2.710 1.00 0.00 O ATOM 302 CB LEU A 15 13.735 17.252 5.844 1.00 0.00 C ATOM 303 CG LEU A 15 15.105 17.598 6.432 1.00 0.00 C ATOM 304 CD1 LEU A 15 16.025 18.155 5.355 1.00 0.00 C ATOM 305 CD2 LEU A 15 14.954 18.590 7.575 1.00 0.00 C ATOM 0 H LEU A 15 14.453 15.060 6.725 1.00 0.00 H new ATOM 0 HA LEU A 15 12.656 15.772 4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 15 13.400 18.087 5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 15 13.021 17.152 6.662 1.00 0.00 H new ATOM 0 HG LEU A 15 15.554 16.686 6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 15 16.994 18.395 5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 15 16.156 17.412 4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.585 19.058 4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.936 18.827 7.983 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.485 19.502 7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.332 18.153 8.356 1.00 0.00 H new ATOM 317 N GLN A 16 15.776 15.792 3.774 1.00 0.00 N ATOM 318 CA GLN A 16 16.659 15.919 2.620 1.00 0.00 C ATOM 319 C GLN A 16 16.613 14.664 1.750 1.00 0.00 C ATOM 320 O GLN A 16 17.034 14.685 0.594 1.00 0.00 O ATOM 321 CB GLN A 16 18.095 16.182 3.075 1.00 0.00 C ATOM 322 CG GLN A 16 18.417 17.658 3.252 1.00 0.00 C ATOM 323 CD GLN A 16 19.231 18.217 2.102 1.00 0.00 C ATOM 324 OE1 GLN A 16 19.128 17.751 0.968 1.00 0.00 O ATOM 325 NE2 GLN A 16 20.049 19.223 2.391 1.00 0.00 N ATOM 0 H GLN A 16 16.220 15.399 4.604 1.00 0.00 H new ATOM 0 HA GLN A 16 16.311 16.763 2.025 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.269 15.665 4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 16 18.783 15.754 2.346 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.488 18.221 3.342 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.966 17.798 4.183 1.00 0.00 H new ATOM 0 HE21 GLN A 16 20.103 19.578 3.346 1.00 0.00 H new ATOM 0 HE22 GLN A 16 20.623 19.640 1.658 1.00 0.00 H new ATOM 334 N GLU A 17 16.101 13.571 2.311 1.00 0.00 N ATOM 335 CA GLU A 17 16.002 12.313 1.583 1.00 0.00 C ATOM 336 C GLU A 17 15.029 12.435 0.412 1.00 0.00 C ATOM 337 O GLU A 17 15.155 11.729 -0.588 1.00 0.00 O ATOM 338 CB GLU A 17 15.556 11.190 2.522 1.00 0.00 C ATOM 339 CG GLU A 17 16.480 9.983 2.508 1.00 0.00 C ATOM 340 CD GLU A 17 16.315 9.137 1.262 1.00 0.00 C ATOM 341 OE1 GLU A 17 16.408 9.696 0.148 1.00 0.00 O ATOM 342 OE2 GLU A 17 16.091 7.916 1.398 1.00 0.00 O ATOM 0 H GLU A 17 15.749 13.533 3.268 1.00 0.00 H new ATOM 0 HA GLU A 17 16.988 12.073 1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 17 15.496 11.580 3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.552 10.872 2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 17 17.514 10.321 2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 17 16.284 9.370 3.388 1.00 0.00 H new ATOM 349 N ARG A 18 14.060 13.335 0.546 1.00 0.00 N ATOM 350 CA ARG A 18 13.067 13.551 -0.500 1.00 0.00 C ATOM 351 C ARG A 18 13.737 13.954 -1.809 1.00 0.00 C ATOM 352 O ARG A 18 13.261 13.615 -2.892 1.00 0.00 O ATOM 353 CB ARG A 18 12.068 14.628 -0.071 1.00 0.00 C ATOM 354 CG ARG A 18 11.487 14.400 1.314 1.00 0.00 C ATOM 355 CD ARG A 18 10.336 15.352 1.597 1.00 0.00 C ATOM 356 NE ARG A 18 9.716 15.092 2.895 1.00 0.00 N ATOM 357 CZ ARG A 18 8.505 15.526 3.237 1.00 0.00 C ATOM 358 NH1 ARG A 18 7.782 16.241 2.383 1.00 0.00 N ATOM 359 NH2 ARG A 18 8.014 15.245 4.436 1.00 0.00 N ATOM 0 H ARG A 18 13.941 13.926 1.369 1.00 0.00 H new ATOM 0 HA ARG A 18 12.533 12.614 -0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 18 12.562 15.600 -0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.255 14.667 -0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.139 13.371 1.399 1.00 0.00 H new ATOM 0 HG3 ARG A 18 12.266 14.536 2.064 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.700 16.379 1.568 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.586 15.257 0.812 1.00 0.00 H new ATOM 0 HE ARG A 18 10.242 14.547 3.578 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.154 16.461 1.459 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.855 16.571 2.651 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.564 14.696 5.097 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.086 15.578 4.698 1.00 0.00 H new ATOM 373 N GLU A 19 14.844 14.680 -1.700 1.00 0.00 N ATOM 374 CA GLU A 19 15.582 15.130 -2.874 1.00 0.00 C ATOM 375 C GLU A 19 16.925 14.415 -2.978 1.00 0.00 C ATOM 376 O GLU A 19 17.900 14.972 -3.482 1.00 0.00 O ATOM 377 CB GLU A 19 15.801 16.644 -2.816 1.00 0.00 C ATOM 378 CG GLU A 19 16.663 17.088 -1.645 1.00 0.00 C ATOM 379 CD GLU A 19 16.271 18.455 -1.119 1.00 0.00 C ATOM 380 OE1 GLU A 19 15.056 18.713 -0.983 1.00 0.00 O ATOM 381 OE2 GLU A 19 17.179 19.268 -0.843 1.00 0.00 O ATOM 0 H GLU A 19 15.250 14.969 -0.810 1.00 0.00 H new ATOM 0 HA GLU A 19 14.992 14.889 -3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.268 16.971 -3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.833 17.141 -2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.582 16.356 -0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.708 17.108 -1.954 1.00 0.00 H new ATOM 388 N LEU A 20 16.968 13.177 -2.495 1.00 0.00 N ATOM 389 CA LEU A 20 18.191 12.384 -2.533 1.00 0.00 C ATOM 390 C LEU A 20 17.876 10.909 -2.761 1.00 0.00 C ATOM 391 O LEU A 20 18.397 10.037 -2.066 1.00 0.00 O ATOM 392 CB LEU A 20 18.974 12.557 -1.228 1.00 0.00 C ATOM 393 CG LEU A 20 20.382 11.953 -1.233 1.00 0.00 C ATOM 394 CD1 LEU A 20 21.437 13.049 -1.249 1.00 0.00 C ATOM 395 CD2 LEU A 20 20.578 11.041 -0.030 1.00 0.00 C ATOM 0 H LEU A 20 16.170 12.702 -2.073 1.00 0.00 H new ATOM 0 HA LEU A 20 18.800 12.738 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.052 13.622 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.404 12.104 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 20 20.494 11.357 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 20 22.430 12.599 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 20 21.313 13.660 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 20 21.325 13.674 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.584 10.622 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 20 20.443 11.614 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.847 10.233 -0.063 1.00 0.00 H new ATOM 407 N VAL A 21 17.019 10.637 -3.740 1.00 0.00 N ATOM 408 CA VAL A 21 16.637 9.266 -4.059 1.00 0.00 C ATOM 409 C VAL A 21 15.999 9.173 -5.445 1.00 0.00 C ATOM 410 O VAL A 21 16.376 8.326 -6.253 1.00 0.00 O ATOM 411 CB VAL A 21 15.665 8.692 -3.007 1.00 0.00 C ATOM 412 CG1 VAL A 21 14.377 9.499 -2.963 1.00 0.00 C ATOM 413 CG2 VAL A 21 15.375 7.224 -3.288 1.00 0.00 C ATOM 0 H VAL A 21 16.577 11.346 -4.325 1.00 0.00 H new ATOM 0 HA VAL A 21 17.553 8.675 -4.052 1.00 0.00 H new ATOM 0 HB VAL A 21 16.141 8.764 -2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.708 9.075 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.604 10.533 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.895 9.468 -3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.688 6.838 -2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.924 7.125 -4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 21 16.305 6.657 -3.255 1.00 0.00 H new ATOM 423 N GLU A 22 15.033 10.048 -5.715 1.00 0.00 N ATOM 424 CA GLU A 22 14.352 10.056 -7.005 1.00 0.00 C ATOM 425 C GLU A 22 13.306 11.173 -7.063 1.00 0.00 C ATOM 426 O GLU A 22 12.118 10.917 -7.262 1.00 0.00 O ATOM 427 CB GLU A 22 13.694 8.696 -7.266 1.00 0.00 C ATOM 428 CG GLU A 22 14.103 8.066 -8.586 1.00 0.00 C ATOM 429 CD GLU A 22 13.755 8.933 -9.780 1.00 0.00 C ATOM 430 OE1 GLU A 22 14.199 10.100 -9.815 1.00 0.00 O ATOM 431 OE2 GLU A 22 13.040 8.445 -10.680 1.00 0.00 O ATOM 0 H GLU A 22 14.706 10.758 -5.060 1.00 0.00 H new ATOM 0 HA GLU A 22 15.093 10.243 -7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.950 8.016 -6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.611 8.817 -7.251 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.177 7.880 -8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.613 7.098 -8.690 1.00 0.00 H new ATOM 438 N PRO A 23 13.739 12.434 -6.887 1.00 0.00 N ATOM 439 CA PRO A 23 12.842 13.589 -6.917 1.00 0.00 C ATOM 440 C PRO A 23 12.552 14.080 -8.335 1.00 0.00 C ATOM 441 O PRO A 23 11.919 15.119 -8.521 1.00 0.00 O ATOM 442 CB PRO A 23 13.630 14.639 -6.142 1.00 0.00 C ATOM 443 CG PRO A 23 15.057 14.329 -6.442 1.00 0.00 C ATOM 444 CD PRO A 23 15.138 12.835 -6.640 1.00 0.00 C ATOM 0 HA PRO A 23 11.861 13.359 -6.501 1.00 0.00 H new ATOM 0 HB2 PRO A 23 13.367 15.648 -6.460 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.427 14.579 -5.073 1.00 0.00 H new ATOM 0 HG2 PRO A 23 15.389 14.857 -7.336 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.704 14.648 -5.624 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.782 12.578 -7.481 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.547 12.337 -5.761 1.00 0.00 H new ATOM 452 N LEU A 24 13.020 13.333 -9.332 1.00 0.00 N ATOM 453 CA LEU A 24 12.808 13.706 -10.726 1.00 0.00 C ATOM 454 C LEU A 24 11.399 13.343 -11.187 1.00 0.00 C ATOM 455 O LEU A 24 10.834 14.001 -12.061 1.00 0.00 O ATOM 456 CB LEU A 24 13.842 13.019 -11.622 1.00 0.00 C ATOM 457 CG LEU A 24 15.253 13.603 -11.545 1.00 0.00 C ATOM 458 CD1 LEU A 24 15.230 15.095 -11.836 1.00 0.00 C ATOM 459 CD2 LEU A 24 15.867 13.334 -10.180 1.00 0.00 C ATOM 0 H LEU A 24 13.546 12.469 -9.200 1.00 0.00 H new ATOM 0 HA LEU A 24 12.925 14.787 -10.805 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.887 11.963 -11.356 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.499 13.073 -12.655 1.00 0.00 H new ATOM 0 HG LEU A 24 15.869 13.116 -12.301 1.00 0.00 H new ATOM 0 HD11 LEU A 24 16.243 15.493 -11.777 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.832 15.264 -12.836 1.00 0.00 H new ATOM 0 HD13 LEU A 24 14.599 15.599 -11.104 1.00 0.00 H new ATOM 0 HD21 LEU A 24 16.871 13.757 -10.143 1.00 0.00 H new ATOM 0 HD22 LEU A 24 15.251 13.794 -9.407 1.00 0.00 H new ATOM 0 HD23 LEU A 24 15.919 12.259 -10.010 1.00 0.00 H new ATOM 471 N THR A 25 10.837 12.292 -10.599 1.00 0.00 N ATOM 472 CA THR A 25 9.494 11.846 -10.959 1.00 0.00 C ATOM 473 C THR A 25 8.613 11.696 -9.721 1.00 0.00 C ATOM 474 O THR A 25 9.096 11.361 -8.639 1.00 0.00 O ATOM 475 CB THR A 25 9.556 10.518 -11.716 1.00 0.00 C ATOM 476 OG1 THR A 25 8.296 9.871 -11.701 1.00 0.00 O ATOM 477 CG2 THR A 25 10.576 9.550 -11.154 1.00 0.00 C ATOM 0 H THR A 25 11.288 11.734 -9.874 1.00 0.00 H new ATOM 0 HA THR A 25 9.054 12.605 -11.605 1.00 0.00 H new ATOM 0 HB THR A 25 9.853 10.782 -12.731 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.357 9.025 -12.192 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.566 8.630 -11.739 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.568 9.999 -11.201 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.329 9.323 -10.117 1.00 0.00 H new ATOM 485 N PRO A 26 7.301 11.948 -9.868 1.00 0.00 N ATOM 486 CA PRO A 26 6.344 11.848 -8.773 1.00 0.00 C ATOM 487 C PRO A 26 5.738 10.453 -8.647 1.00 0.00 C ATOM 488 O PRO A 26 4.546 10.307 -8.374 1.00 0.00 O ATOM 489 CB PRO A 26 5.282 12.856 -9.191 1.00 0.00 C ATOM 490 CG PRO A 26 5.252 12.768 -10.682 1.00 0.00 C ATOM 491 CD PRO A 26 6.641 12.362 -11.121 1.00 0.00 C ATOM 0 HA PRO A 26 6.796 12.037 -7.799 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.311 12.613 -8.759 1.00 0.00 H new ATOM 0 HB3 PRO A 26 5.536 13.862 -8.857 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.513 12.038 -11.012 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.972 13.726 -11.121 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.609 11.547 -11.844 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.168 13.190 -11.596 1.00 0.00 H new ATOM 499 N SER A 27 6.562 9.429 -8.848 1.00 0.00 N ATOM 500 CA SER A 27 6.102 8.049 -8.759 1.00 0.00 C ATOM 501 C SER A 27 7.284 7.086 -8.670 1.00 0.00 C ATOM 502 O SER A 27 7.358 6.107 -9.416 1.00 0.00 O ATOM 503 CB SER A 27 5.234 7.697 -9.969 1.00 0.00 C ATOM 504 OG SER A 27 4.360 8.763 -10.298 1.00 0.00 O ATOM 0 H SER A 27 7.552 9.530 -9.074 1.00 0.00 H new ATOM 0 HA SER A 27 5.505 7.950 -7.852 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.871 7.468 -10.823 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.653 6.800 -9.755 1.00 0.00 H new ATOM 0 HG SER A 27 3.971 9.132 -9.478 1.00 0.00 H new ATOM 510 N GLY A 28 8.209 7.367 -7.757 1.00 0.00 N ATOM 511 CA GLY A 28 9.372 6.515 -7.595 1.00 0.00 C ATOM 512 C GLY A 28 9.293 5.658 -6.348 1.00 0.00 C ATOM 513 O GLY A 28 8.965 4.474 -6.419 1.00 0.00 O ATOM 0 H GLY A 28 8.173 8.169 -7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.472 5.871 -8.469 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.268 7.134 -7.551 1.00 0.00 H new ATOM 517 N GLU A 29 9.596 6.258 -5.201 1.00 0.00 N ATOM 518 CA GLU A 29 9.559 5.543 -3.932 1.00 0.00 C ATOM 519 C GLU A 29 9.433 6.516 -2.765 1.00 0.00 C ATOM 520 O GLU A 29 9.989 6.287 -1.690 1.00 0.00 O ATOM 521 CB GLU A 29 10.818 4.690 -3.767 1.00 0.00 C ATOM 522 CG GLU A 29 10.564 3.354 -3.086 1.00 0.00 C ATOM 523 CD GLU A 29 10.616 2.188 -4.053 1.00 0.00 C ATOM 524 OE1 GLU A 29 10.364 2.403 -5.258 1.00 0.00 O ATOM 525 OE2 GLU A 29 10.910 1.059 -3.607 1.00 0.00 O ATOM 0 H GLU A 29 9.870 7.238 -5.125 1.00 0.00 H new ATOM 0 HA GLU A 29 8.685 4.891 -3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.256 4.510 -4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.552 5.250 -3.188 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.305 3.204 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.588 3.377 -2.602 1.00 0.00 H new ATOM 532 N ALA A 30 8.699 7.603 -2.982 1.00 0.00 N ATOM 533 CA ALA A 30 8.502 8.609 -1.947 1.00 0.00 C ATOM 534 C ALA A 30 7.096 8.521 -1.355 1.00 0.00 C ATOM 535 O ALA A 30 6.113 8.423 -2.090 1.00 0.00 O ATOM 536 CB ALA A 30 8.753 10.000 -2.510 1.00 0.00 C ATOM 0 H ALA A 30 8.232 7.809 -3.865 1.00 0.00 H new ATOM 0 HA ALA A 30 9.217 8.417 -1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.602 10.742 -1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.777 10.064 -2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.060 10.191 -3.329 1.00 0.00 H new ATOM 542 N PRO A 31 6.979 8.555 -0.014 1.00 0.00 N ATOM 543 CA PRO A 31 5.679 8.479 0.663 1.00 0.00 C ATOM 544 C PRO A 31 4.697 9.527 0.150 1.00 0.00 C ATOM 545 O PRO A 31 3.499 9.267 0.039 1.00 0.00 O ATOM 546 CB PRO A 31 6.023 8.744 2.131 1.00 0.00 C ATOM 547 CG PRO A 31 7.453 8.351 2.264 1.00 0.00 C ATOM 548 CD PRO A 31 8.095 8.671 0.943 1.00 0.00 C ATOM 0 HA PRO A 31 5.189 7.520 0.493 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.875 9.793 2.389 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.389 8.160 2.798 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.934 8.898 3.075 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.546 7.290 2.496 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.527 9.672 0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.900 7.975 0.708 1.00 0.00 H new ATOM 556 N ASN A 32 5.214 10.716 -0.152 1.00 0.00 N ATOM 557 CA ASN A 32 4.390 11.818 -0.646 1.00 0.00 C ATOM 558 C ASN A 32 3.393 11.348 -1.706 1.00 0.00 C ATOM 559 O ASN A 32 2.197 11.619 -1.605 1.00 0.00 O ATOM 560 CB ASN A 32 5.278 12.921 -1.223 1.00 0.00 C ATOM 561 CG ASN A 32 6.154 13.570 -0.170 1.00 0.00 C ATOM 562 OD1 ASN A 32 7.379 13.562 -0.275 1.00 0.00 O ATOM 563 ND2 ASN A 32 5.526 14.133 0.856 1.00 0.00 N ATOM 0 H ASN A 32 6.205 10.942 -0.063 1.00 0.00 H new ATOM 0 HA ASN A 32 3.823 12.210 0.198 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.908 12.503 -2.008 1.00 0.00 H new ATOM 0 HB3 ASN A 32 4.651 13.681 -1.689 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.063 14.583 1.598 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.507 14.116 0.902 1.00 0.00 H new ATOM 570 N GLN A 33 3.892 10.644 -2.718 1.00 0.00 N ATOM 571 CA GLN A 33 3.035 10.143 -3.790 1.00 0.00 C ATOM 572 C GLN A 33 1.951 9.230 -3.237 1.00 0.00 C ATOM 573 O GLN A 33 0.876 9.104 -3.823 1.00 0.00 O ATOM 574 CB GLN A 33 3.852 9.403 -4.844 1.00 0.00 C ATOM 575 CG GLN A 33 5.160 10.093 -5.203 1.00 0.00 C ATOM 576 CD GLN A 33 6.366 9.188 -5.044 1.00 0.00 C ATOM 577 OE1 GLN A 33 6.240 8.027 -4.653 1.00 0.00 O ATOM 578 NE2 GLN A 33 7.546 9.717 -5.348 1.00 0.00 N ATOM 0 H GLN A 33 4.879 10.408 -2.819 1.00 0.00 H new ATOM 0 HA GLN A 33 2.560 11.004 -4.261 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.069 8.398 -4.482 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.250 9.294 -5.746 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.109 10.444 -6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.286 10.973 -4.572 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.604 10.684 -5.668 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.394 9.157 -5.261 1.00 0.00 H new ATOM 587 N ALA A 34 2.223 8.618 -2.090 1.00 0.00 N ATOM 588 CA ALA A 34 1.251 7.751 -1.451 1.00 0.00 C ATOM 589 C ALA A 34 0.062 8.589 -1.024 1.00 0.00 C ATOM 590 O ALA A 34 -1.064 8.359 -1.458 1.00 0.00 O ATOM 591 CB ALA A 34 1.869 7.037 -0.259 1.00 0.00 C ATOM 0 H ALA A 34 3.106 8.708 -1.588 1.00 0.00 H new ATOM 0 HA ALA A 34 0.923 6.985 -2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.123 6.392 0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.713 6.433 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.215 7.773 0.467 1.00 0.00 H new ATOM 597 N LEU A 35 0.341 9.596 -0.200 1.00 0.00 N ATOM 598 CA LEU A 35 -0.687 10.514 0.263 1.00 0.00 C ATOM 599 C LEU A 35 -1.256 11.284 -0.923 1.00 0.00 C ATOM 600 O LEU A 35 -2.427 11.664 -0.935 1.00 0.00 O ATOM 601 CB LEU A 35 -0.108 11.489 1.289 1.00 0.00 C ATOM 602 CG LEU A 35 0.743 10.846 2.386 1.00 0.00 C ATOM 603 CD1 LEU A 35 2.000 11.666 2.639 1.00 0.00 C ATOM 604 CD2 LEU A 35 -0.064 10.699 3.668 1.00 0.00 C ATOM 0 H LEU A 35 1.275 9.794 0.160 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.484 9.942 0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.500 12.226 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.930 12.029 1.758 1.00 0.00 H new ATOM 0 HG LEU A 35 1.043 9.853 2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.592 11.192 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.588 11.722 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.721 12.672 2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.556 10.240 4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.393 11.682 4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.934 10.070 3.480 1.00 0.00 H new ATOM 616 N LEU A 36 -0.401 11.518 -1.917 1.00 0.00 N ATOM 617 CA LEU A 36 -0.788 12.253 -3.113 1.00 0.00 C ATOM 618 C LEU A 36 -1.961 11.589 -3.834 1.00 0.00 C ATOM 619 O LEU A 36 -2.892 12.270 -4.259 1.00 0.00 O ATOM 620 CB LEU A 36 0.406 12.406 -4.060 1.00 0.00 C ATOM 621 CG LEU A 36 0.719 13.846 -4.473 1.00 0.00 C ATOM 622 CD1 LEU A 36 2.211 14.020 -4.709 1.00 0.00 C ATOM 623 CD2 LEU A 36 -0.067 14.225 -5.719 1.00 0.00 C ATOM 0 H LEU A 36 0.570 11.206 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.116 13.243 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.288 11.981 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.216 11.819 -4.958 1.00 0.00 H new ATOM 0 HG LEU A 36 0.420 14.510 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.415 15.050 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.754 13.789 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.535 13.346 -5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.168 15.252 -5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.202 13.556 -6.536 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.134 14.139 -5.516 1.00 0.00 H new ATOM 635 N ARG A 37 -1.905 10.271 -4.019 1.00 0.00 N ATOM 636 CA ARG A 37 -2.971 9.574 -4.737 1.00 0.00 C ATOM 637 C ARG A 37 -3.896 8.773 -3.827 1.00 0.00 C ATOM 638 O ARG A 37 -4.972 8.376 -4.263 1.00 0.00 O ATOM 639 CB ARG A 37 -2.371 8.650 -5.798 1.00 0.00 C ATOM 640 CG ARG A 37 -1.486 7.556 -5.223 1.00 0.00 C ATOM 641 CD ARG A 37 -2.017 6.170 -5.558 1.00 0.00 C ATOM 642 NE ARG A 37 -1.763 5.808 -6.951 1.00 0.00 N ATOM 643 CZ ARG A 37 -2.240 4.708 -7.530 1.00 0.00 C ATOM 644 NH1 ARG A 37 -2.996 3.862 -6.842 1.00 0.00 N ATOM 645 NH2 ARG A 37 -1.960 4.455 -8.801 1.00 0.00 N ATOM 0 H ARG A 37 -1.148 9.673 -3.689 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.581 10.347 -5.204 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.179 8.190 -6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.787 9.247 -6.499 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.474 7.663 -5.614 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.423 7.670 -4.141 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.551 5.435 -4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.089 6.136 -5.364 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.187 6.435 -7.513 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.215 4.053 -5.864 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.359 3.021 -7.291 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.380 5.103 -9.334 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.325 3.613 -9.246 1.00 0.00 H new ATOM 659 N ILE A 38 -3.515 8.535 -2.575 1.00 0.00 N ATOM 660 CA ILE A 38 -4.390 7.773 -1.685 1.00 0.00 C ATOM 661 C ILE A 38 -5.558 8.620 -1.193 1.00 0.00 C ATOM 662 O ILE A 38 -6.714 8.226 -1.317 1.00 0.00 O ATOM 663 CB ILE A 38 -3.651 7.191 -0.463 1.00 0.00 C ATOM 664 CG1 ILE A 38 -4.629 6.407 0.413 1.00 0.00 C ATOM 665 CG2 ILE A 38 -2.994 8.294 0.344 1.00 0.00 C ATOM 666 CD1 ILE A 38 -4.305 4.933 0.515 1.00 0.00 C ATOM 0 H ILE A 38 -2.636 8.846 -2.162 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.760 6.943 -2.287 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.871 6.517 -0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.634 6.839 1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.636 6.522 0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.479 7.860 1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.276 8.824 -0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.755 8.992 0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.041 4.442 1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.329 4.486 -0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.311 4.808 0.946 1.00 0.00 H new ATOM 678 N LEU A 39 -5.256 9.791 -0.653 1.00 0.00 N ATOM 679 CA LEU A 39 -6.293 10.683 -0.164 1.00 0.00 C ATOM 680 C LEU A 39 -7.131 11.201 -1.324 1.00 0.00 C ATOM 681 O LEU A 39 -8.211 11.748 -1.126 1.00 0.00 O ATOM 682 CB LEU A 39 -5.676 11.858 0.599 1.00 0.00 C ATOM 683 CG LEU A 39 -5.515 11.644 2.106 1.00 0.00 C ATOM 684 CD1 LEU A 39 -6.833 11.216 2.732 1.00 0.00 C ATOM 685 CD2 LEU A 39 -4.431 10.614 2.383 1.00 0.00 C ATOM 0 H LEU A 39 -4.305 10.144 -0.543 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.935 10.123 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.696 12.073 0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.295 12.740 0.438 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.216 12.590 2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.696 11.069 3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.583 11.989 2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.166 10.283 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.329 10.473 3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.702 9.666 1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.484 10.963 1.971 1.00 0.00 H new ATOM 697 N LYS A 40 -6.603 11.047 -2.536 1.00 0.00 N ATOM 698 CA LYS A 40 -7.279 11.519 -3.736 1.00 0.00 C ATOM 699 C LYS A 40 -8.034 10.394 -4.431 1.00 0.00 C ATOM 700 O LYS A 40 -9.136 10.598 -4.941 1.00 0.00 O ATOM 701 CB LYS A 40 -6.251 12.133 -4.687 1.00 0.00 C ATOM 702 CG LYS A 40 -5.826 13.555 -4.327 1.00 0.00 C ATOM 703 CD LYS A 40 -5.695 13.778 -2.820 1.00 0.00 C ATOM 704 CE LYS A 40 -4.257 13.635 -2.353 1.00 0.00 C ATOM 705 NZ LYS A 40 -3.330 14.505 -3.129 1.00 0.00 N ATOM 0 H LYS A 40 -5.705 10.596 -2.711 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.010 12.274 -3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.366 11.497 -4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.664 12.135 -5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.871 13.775 -4.805 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.554 14.259 -4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.063 14.772 -2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.322 13.061 -2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.192 13.889 -1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.946 12.595 -2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.556 14.825 -2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.937 13.968 -3.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.849 15.331 -3.489 1.00 0.00 H new ATOM 719 N GLU A 41 -7.448 9.204 -4.437 1.00 0.00 N ATOM 720 CA GLU A 41 -8.090 8.051 -5.062 1.00 0.00 C ATOM 721 C GLU A 41 -8.928 7.286 -4.046 1.00 0.00 C ATOM 722 O GLU A 41 -9.597 6.310 -4.382 1.00 0.00 O ATOM 723 CB GLU A 41 -7.042 7.134 -5.700 1.00 0.00 C ATOM 724 CG GLU A 41 -6.325 6.234 -4.706 1.00 0.00 C ATOM 725 CD GLU A 41 -6.842 4.809 -4.727 1.00 0.00 C ATOM 726 OE1 GLU A 41 -7.190 4.320 -5.822 1.00 0.00 O ATOM 727 OE2 GLU A 41 -6.900 4.183 -3.648 1.00 0.00 O ATOM 0 H GLU A 41 -6.537 9.011 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.754 8.411 -5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.527 6.513 -6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.304 7.747 -6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.258 6.232 -4.928 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.441 6.643 -3.702 1.00 0.00 H new ATOM 734 N THR A 42 -8.891 7.747 -2.803 1.00 0.00 N ATOM 735 CA THR A 42 -9.647 7.126 -1.731 1.00 0.00 C ATOM 736 C THR A 42 -10.351 8.188 -0.883 1.00 0.00 C ATOM 737 O THR A 42 -10.935 7.875 0.154 1.00 0.00 O ATOM 738 CB THR A 42 -8.711 6.279 -0.869 1.00 0.00 C ATOM 739 OG1 THR A 42 -8.113 5.254 -1.641 1.00 0.00 O ATOM 740 CG2 THR A 42 -9.399 5.624 0.306 1.00 0.00 C ATOM 0 H THR A 42 -8.340 8.555 -2.514 1.00 0.00 H new ATOM 0 HA THR A 42 -10.412 6.481 -2.162 1.00 0.00 H new ATOM 0 HB THR A 42 -7.966 6.976 -0.486 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.528 5.653 -2.318 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.674 5.039 0.872 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.829 6.391 0.950 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.191 4.968 -0.055 1.00 0.00 H new ATOM 748 N GLU A 43 -10.291 9.447 -1.333 1.00 0.00 N ATOM 749 CA GLU A 43 -10.922 10.560 -0.622 1.00 0.00 C ATOM 750 C GLU A 43 -12.302 10.179 -0.100 1.00 0.00 C ATOM 751 O GLU A 43 -12.549 10.205 1.107 1.00 0.00 O ATOM 752 CB GLU A 43 -11.045 11.789 -1.534 1.00 0.00 C ATOM 753 CG GLU A 43 -11.483 11.467 -2.956 1.00 0.00 C ATOM 754 CD GLU A 43 -10.923 12.443 -3.973 1.00 0.00 C ATOM 755 OE1 GLU A 43 -10.014 13.221 -3.613 1.00 0.00 O ATOM 756 OE2 GLU A 43 -11.391 12.428 -5.130 1.00 0.00 O ATOM 0 H GLU A 43 -9.809 9.719 -2.190 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.283 10.802 0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.760 12.484 -1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.083 12.300 -1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.162 10.457 -3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.572 11.478 -3.008 1.00 0.00 H new ATOM 763 N PHE A 44 -13.201 9.837 -1.013 1.00 0.00 N ATOM 764 CA PHE A 44 -14.559 9.462 -0.642 1.00 0.00 C ATOM 765 C PHE A 44 -14.697 7.951 -0.484 1.00 0.00 C ATOM 766 O PHE A 44 -15.613 7.471 0.184 1.00 0.00 O ATOM 767 CB PHE A 44 -15.550 9.967 -1.692 1.00 0.00 C ATOM 768 CG PHE A 44 -16.810 10.536 -1.104 1.00 0.00 C ATOM 769 CD1 PHE A 44 -17.685 9.730 -0.394 1.00 0.00 C ATOM 770 CD2 PHE A 44 -17.117 11.878 -1.262 1.00 0.00 C ATOM 771 CE1 PHE A 44 -18.843 10.252 0.149 1.00 0.00 C ATOM 772 CE2 PHE A 44 -18.275 12.405 -0.721 1.00 0.00 C ATOM 773 CZ PHE A 44 -19.139 11.592 -0.014 1.00 0.00 C ATOM 0 H PHE A 44 -13.015 9.811 -2.016 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.781 9.925 0.320 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -15.065 10.731 -2.300 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -15.809 9.146 -2.360 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -17.459 8.682 -0.264 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -16.445 12.519 -1.813 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -19.517 9.613 0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -18.504 13.452 -0.851 1.00 0.00 H new ATOM 0 HZ PHE A 44 -20.043 12.002 0.410 1.00 0.00 H new ATOM 783 N LYS A 45 -13.795 7.200 -1.110 1.00 0.00 N ATOM 784 CA LYS A 45 -13.842 5.745 -1.039 1.00 0.00 C ATOM 785 C LYS A 45 -13.779 5.240 0.405 1.00 0.00 C ATOM 786 O LYS A 45 -14.612 4.438 0.825 1.00 0.00 O ATOM 787 CB LYS A 45 -12.694 5.138 -1.851 1.00 0.00 C ATOM 788 CG LYS A 45 -12.544 5.732 -3.243 1.00 0.00 C ATOM 789 CD LYS A 45 -13.852 5.684 -4.017 1.00 0.00 C ATOM 790 CE LYS A 45 -13.798 6.560 -5.258 1.00 0.00 C ATOM 791 NZ LYS A 45 -14.996 6.374 -6.122 1.00 0.00 N ATOM 0 H LYS A 45 -13.028 7.573 -1.669 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.796 5.430 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.761 5.278 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.853 4.063 -1.940 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.205 6.765 -3.164 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.776 5.186 -3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.067 4.655 -4.306 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.669 6.012 -3.374 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.724 7.606 -4.961 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.899 6.326 -5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.920 6.989 -6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.053 5.381 -6.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.852 6.622 -5.586 1.00 0.00 H new ATOM 805 N LYS A 46 -12.773 5.689 1.150 1.00 0.00 N ATOM 806 CA LYS A 46 -12.588 5.251 2.534 1.00 0.00 C ATOM 807 C LYS A 46 -13.682 5.762 3.472 1.00 0.00 C ATOM 808 O LYS A 46 -14.067 5.065 4.410 1.00 0.00 O ATOM 809 CB LYS A 46 -11.218 5.689 3.058 1.00 0.00 C ATOM 810 CG LYS A 46 -11.005 7.195 3.046 1.00 0.00 C ATOM 811 CD LYS A 46 -10.372 7.680 4.340 1.00 0.00 C ATOM 812 CE LYS A 46 -8.870 7.449 4.345 1.00 0.00 C ATOM 813 NZ LYS A 46 -8.239 7.919 5.609 1.00 0.00 N ATOM 0 H LYS A 46 -12.074 6.355 0.821 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.651 4.163 2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.096 5.323 4.077 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.442 5.218 2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.368 7.466 2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.961 7.697 2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.578 8.742 4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.824 7.160 5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.666 6.387 4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.420 7.969 3.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.215 7.743 5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.411 8.938 5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.650 7.404 6.414 1.00 0.00 H new ATOM 827 N ILE A 47 -14.166 6.979 3.246 1.00 0.00 N ATOM 828 CA ILE A 47 -15.192 7.545 4.116 1.00 0.00 C ATOM 829 C ILE A 47 -16.550 6.872 3.917 1.00 0.00 C ATOM 830 O ILE A 47 -17.159 6.410 4.881 1.00 0.00 O ATOM 831 CB ILE A 47 -15.327 9.074 3.940 1.00 0.00 C ATOM 832 CG1 ILE A 47 -15.903 9.424 2.565 1.00 0.00 C ATOM 833 CG2 ILE A 47 -13.975 9.746 4.142 1.00 0.00 C ATOM 834 CD1 ILE A 47 -15.901 10.909 2.265 1.00 0.00 C ATOM 0 H ILE A 47 -13.870 7.585 2.480 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.861 7.349 5.136 1.00 0.00 H new ATOM 0 HB ILE A 47 -16.021 9.445 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -15.328 8.906 1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.925 9.051 2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -14.082 10.823 4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.609 9.533 5.146 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.265 9.363 3.409 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -16.323 11.081 1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -16.500 11.432 3.011 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -14.878 11.285 2.294 1.00 0.00 H new ATOM 846 N LYS A 48 -17.030 6.822 2.678 1.00 0.00 N ATOM 847 CA LYS A 48 -18.323 6.204 2.395 1.00 0.00 C ATOM 848 C LYS A 48 -18.388 4.788 2.960 1.00 0.00 C ATOM 849 O LYS A 48 -19.438 4.339 3.421 1.00 0.00 O ATOM 850 CB LYS A 48 -18.585 6.182 0.887 1.00 0.00 C ATOM 851 CG LYS A 48 -17.602 5.326 0.106 1.00 0.00 C ATOM 852 CD LYS A 48 -18.217 3.993 -0.290 1.00 0.00 C ATOM 853 CE LYS A 48 -19.417 4.181 -1.206 1.00 0.00 C ATOM 854 NZ LYS A 48 -20.581 3.360 -0.771 1.00 0.00 N ATOM 0 H LYS A 48 -16.549 7.198 1.861 1.00 0.00 H new ATOM 0 HA LYS A 48 -19.095 6.801 2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -19.595 5.813 0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.546 7.203 0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.283 5.861 -0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.710 5.152 0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.468 3.381 -0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.523 3.452 0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -19.701 5.233 -1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.142 3.910 -2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -21.378 3.516 -1.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -20.319 2.354 -0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -20.860 3.636 0.192 1.00 0.00 H new ATOM 868 N VAL A 49 -17.258 4.091 2.920 1.00 0.00 N ATOM 869 CA VAL A 49 -17.177 2.726 3.424 1.00 0.00 C ATOM 870 C VAL A 49 -17.120 2.695 4.950 1.00 0.00 C ATOM 871 O VAL A 49 -17.648 1.779 5.580 1.00 0.00 O ATOM 872 CB VAL A 49 -15.938 2.000 2.864 1.00 0.00 C ATOM 873 CG1 VAL A 49 -15.910 0.546 3.317 1.00 0.00 C ATOM 874 CG2 VAL A 49 -15.910 2.091 1.345 1.00 0.00 C ATOM 0 H VAL A 49 -16.382 4.451 2.542 1.00 0.00 H new ATOM 0 HA VAL A 49 -18.080 2.214 3.091 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.048 2.492 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -15.027 0.055 2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -15.878 0.505 4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -16.805 0.037 2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -15.029 1.573 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -16.808 1.627 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -15.873 3.138 1.044 1.00 0.00 H new ATOM 884 N LEU A 50 -16.474 3.697 5.538 1.00 0.00 N ATOM 885 CA LEU A 50 -16.347 3.774 6.990 1.00 0.00 C ATOM 886 C LEU A 50 -17.598 4.376 7.620 1.00 0.00 C ATOM 887 O LEU A 50 -17.951 4.053 8.754 1.00 0.00 O ATOM 888 CB LEU A 50 -15.120 4.605 7.371 1.00 0.00 C ATOM 889 CG LEU A 50 -13.774 3.968 7.023 1.00 0.00 C ATOM 890 CD1 LEU A 50 -12.672 5.016 7.020 1.00 0.00 C ATOM 891 CD2 LEU A 50 -13.447 2.850 8.002 1.00 0.00 C ATOM 0 H LEU A 50 -16.031 4.465 5.033 1.00 0.00 H new ATOM 0 HA LEU A 50 -16.226 2.760 7.371 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -15.186 5.572 6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -15.148 4.796 8.444 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.842 3.541 6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.722 4.544 6.770 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.901 5.783 6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.602 5.473 8.007 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.486 2.407 7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -13.397 3.255 9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -14.223 2.086 7.955 1.00 0.00 H new ATOM 903 N GLY A 51 -18.266 5.252 6.878 1.00 0.00 N ATOM 904 CA GLY A 51 -19.472 5.882 7.381 1.00 0.00 C ATOM 905 C GLY A 51 -20.729 5.190 6.898 1.00 0.00 C ATOM 906 O GLY A 51 -21.779 5.817 6.760 1.00 0.00 O ATOM 0 H GLY A 51 -17.994 5.537 5.937 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -19.454 5.877 8.471 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -19.492 6.926 7.067 1.00 0.00 H new ATOM 910 N SER A 52 -20.621 3.891 6.640 1.00 0.00 N ATOM 911 CA SER A 52 -21.756 3.108 6.169 1.00 0.00 C ATOM 912 C SER A 52 -22.909 3.169 7.167 1.00 0.00 C ATOM 913 O SER A 52 -24.077 3.095 6.786 1.00 0.00 O ATOM 914 CB SER A 52 -21.340 1.654 5.942 1.00 0.00 C ATOM 915 OG SER A 52 -21.974 1.116 4.794 1.00 0.00 O ATOM 0 H SER A 52 -19.758 3.358 6.749 1.00 0.00 H new ATOM 0 HA SER A 52 -22.093 3.534 5.224 1.00 0.00 H new ATOM 0 HB2 SER A 52 -20.258 1.596 5.825 1.00 0.00 H new ATOM 0 HB3 SER A 52 -21.598 1.058 6.817 1.00 0.00 H new ATOM 0 HG SER A 52 -21.691 0.186 4.669 1.00 0.00 H new ATOM 921 N GLY A 53 -22.571 3.304 8.446 1.00 0.00 N ATOM 922 CA GLY A 53 -23.587 3.374 9.480 1.00 0.00 C ATOM 923 C GLY A 53 -23.627 4.727 10.163 1.00 0.00 C ATOM 924 O GLY A 53 -22.859 4.927 11.128 1.00 0.00 O ATOM 925 OXT GLY A 53 -24.426 5.585 9.734 1.00 0.00 O ATOM 0 H GLY A 53 -21.611 3.366 8.785 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -24.562 3.163 9.042 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -23.398 2.600 10.224 1.00 0.00 H new TER 929 GLY A 53