USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 526 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 Set 1.1: A 75 ASN : amide:sc= 0.209 K(o=0.43,f=-0.23) USER MOD Set 1.2: A 79 LYS NZ :NH3+ -142:sc= 0.219 (180deg=0) USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -170:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.525 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -155:sc= 0.113 (180deg=0.00125) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.194 USER MOD Single : A 62 ASN :FLIP amide:sc= -0.121 F(o=-0.65,f=-0.12) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.514 K(o=-0.51,f=-1.8) USER MOD Single : A 80 HIS : no HD1:sc= -3.65! C(o=-3.6!,f=-3.8!) USER MOD Single : A 82 SER OG : rot 60:sc= 0.0806 USER MOD ----------------------------------------------------------------- ATOM 135 N LYS A 13 -16.268 -7.601 -5.983 1.00 0.65 N ATOM 136 CA LYS A 13 -14.878 -7.157 -5.636 1.00 0.50 C ATOM 137 C LYS A 13 -13.847 -8.008 -6.395 1.00 0.48 C ATOM 138 O LYS A 13 -14.166 -9.047 -6.949 1.00 0.62 O ATOM 139 CB LYS A 13 -14.652 -7.313 -4.126 1.00 0.48 C ATOM 140 CG LYS A 13 -15.633 -6.422 -3.354 1.00 0.62 C ATOM 141 CD LYS A 13 -15.223 -6.358 -1.878 1.00 0.71 C ATOM 142 CE LYS A 13 -16.297 -7.030 -1.014 1.00 1.22 C ATOM 143 NZ LYS A 13 -15.747 -7.319 0.346 1.00 1.90 N ATOM 0 HA LYS A 13 -14.758 -6.112 -5.920 1.00 0.50 H new ATOM 0 HB2 LYS A 13 -14.788 -8.355 -3.835 1.00 0.48 H new ATOM 0 HB3 LYS A 13 -13.627 -7.043 -3.874 1.00 0.48 H new ATOM 0 HG2 LYS A 13 -15.643 -5.420 -3.782 1.00 0.62 H new ATOM 0 HG3 LYS A 13 -16.645 -6.817 -3.443 1.00 0.62 H new ATOM 0 HD2 LYS A 13 -14.264 -6.855 -1.735 1.00 0.71 H new ATOM 0 HD3 LYS A 13 -15.093 -5.320 -1.571 1.00 0.71 H new ATOM 0 HE2 LYS A 13 -17.169 -6.382 -0.933 1.00 1.22 H new ATOM 0 HE3 LYS A 13 -16.630 -7.955 -1.486 1.00 1.22 H new ATOM 0 HZ1 LYS A 13 -16.479 -7.774 0.927 1.00 1.90 H new ATOM 0 HZ2 LYS A 13 -14.928 -7.954 0.261 1.00 1.90 H new ATOM 0 HZ3 LYS A 13 -15.451 -6.430 0.797 1.00 1.90 H new ATOM 157 N VAL A 14 -12.607 -7.568 -6.416 1.00 0.40 N ATOM 158 CA VAL A 14 -11.530 -8.334 -7.129 1.00 0.41 C ATOM 159 C VAL A 14 -10.523 -8.889 -6.108 1.00 0.40 C ATOM 160 O VAL A 14 -10.093 -8.194 -5.204 1.00 0.48 O ATOM 161 CB VAL A 14 -10.800 -7.415 -8.126 1.00 0.43 C ATOM 162 CG1 VAL A 14 -11.780 -6.928 -9.195 1.00 0.45 C ATOM 163 CG2 VAL A 14 -10.206 -6.204 -7.398 1.00 0.47 C ATOM 0 H VAL A 14 -12.294 -6.707 -5.968 1.00 0.40 H new ATOM 0 HA VAL A 14 -11.986 -9.161 -7.674 1.00 0.41 H new ATOM 0 HB VAL A 14 -9.995 -7.981 -8.595 1.00 0.43 H new ATOM 0 HG11 VAL A 14 -11.258 -6.278 -9.898 1.00 0.45 H new ATOM 0 HG12 VAL A 14 -12.191 -7.785 -9.729 1.00 0.45 H new ATOM 0 HG13 VAL A 14 -12.590 -6.374 -8.721 1.00 0.45 H new ATOM 0 HG21 VAL A 14 -9.693 -5.564 -8.116 1.00 0.47 H new ATOM 0 HG22 VAL A 14 -11.005 -5.641 -6.916 1.00 0.47 H new ATOM 0 HG23 VAL A 14 -9.496 -6.545 -6.644 1.00 0.47 H new ATOM 173 N THR A 15 -10.145 -10.141 -6.254 1.00 0.43 N ATOM 174 CA THR A 15 -9.164 -10.759 -5.304 1.00 0.43 C ATOM 175 C THR A 15 -7.763 -10.779 -5.940 1.00 0.40 C ATOM 176 O THR A 15 -7.618 -10.706 -7.148 1.00 0.45 O ATOM 177 CB THR A 15 -9.611 -12.193 -4.964 1.00 0.50 C ATOM 178 OG1 THR A 15 -8.756 -12.729 -3.963 1.00 0.55 O ATOM 179 CG2 THR A 15 -9.555 -13.080 -6.214 1.00 0.55 C ATOM 0 H THR A 15 -10.476 -10.761 -6.993 1.00 0.43 H new ATOM 0 HA THR A 15 -9.126 -10.169 -4.388 1.00 0.43 H new ATOM 0 HB THR A 15 -10.637 -12.166 -4.598 1.00 0.50 H new ATOM 0 HG1 THR A 15 -9.040 -13.641 -3.744 1.00 0.55 H new ATOM 0 HG21 THR A 15 -9.874 -14.090 -5.958 1.00 0.55 H new ATOM 0 HG22 THR A 15 -10.217 -12.674 -6.979 1.00 0.55 H new ATOM 0 HG23 THR A 15 -8.534 -13.107 -6.595 1.00 0.55 H new ATOM 187 N PHE A 16 -6.731 -10.872 -5.131 1.00 0.39 N ATOM 188 CA PHE A 16 -5.337 -10.892 -5.679 1.00 0.39 C ATOM 189 C PHE A 16 -4.495 -11.942 -4.944 1.00 0.39 C ATOM 190 O PHE A 16 -4.621 -12.128 -3.747 1.00 0.50 O ATOM 191 CB PHE A 16 -4.691 -9.514 -5.498 1.00 0.44 C ATOM 192 CG PHE A 16 -5.436 -8.484 -6.314 1.00 0.46 C ATOM 193 CD1 PHE A 16 -5.342 -8.495 -7.711 1.00 0.53 C ATOM 194 CD2 PHE A 16 -6.218 -7.514 -5.673 1.00 0.52 C ATOM 195 CE1 PHE A 16 -6.029 -7.537 -8.466 1.00 0.61 C ATOM 196 CE2 PHE A 16 -6.905 -6.559 -6.428 1.00 0.60 C ATOM 197 CZ PHE A 16 -6.810 -6.571 -7.825 1.00 0.63 C ATOM 0 H PHE A 16 -6.796 -10.935 -4.115 1.00 0.39 H new ATOM 0 HA PHE A 16 -5.381 -11.143 -6.739 1.00 0.39 H new ATOM 0 HB2 PHE A 16 -4.702 -9.233 -4.445 1.00 0.44 H new ATOM 0 HB3 PHE A 16 -3.646 -9.549 -5.807 1.00 0.44 H new ATOM 0 HD1 PHE A 16 -4.740 -9.242 -8.206 1.00 0.53 H new ATOM 0 HD2 PHE A 16 -6.290 -7.504 -4.595 1.00 0.52 H new ATOM 0 HE1 PHE A 16 -5.956 -7.544 -9.543 1.00 0.61 H new ATOM 0 HE2 PHE A 16 -7.509 -5.812 -5.934 1.00 0.60 H new ATOM 0 HZ PHE A 16 -7.341 -5.833 -8.408 1.00 0.63 H new ATOM 207 N LYS A 17 -3.628 -12.614 -5.662 1.00 0.39 N ATOM 208 CA LYS A 17 -2.749 -13.650 -5.038 1.00 0.39 C ATOM 209 C LYS A 17 -1.287 -13.238 -5.240 1.00 0.36 C ATOM 210 O LYS A 17 -0.788 -13.226 -6.349 1.00 0.46 O ATOM 211 CB LYS A 17 -3.002 -15.009 -5.704 1.00 0.49 C ATOM 212 CG LYS A 17 -3.761 -15.920 -4.735 1.00 0.79 C ATOM 213 CD LYS A 17 -4.599 -16.931 -5.527 1.00 1.18 C ATOM 214 CE LYS A 17 -6.088 -16.697 -5.251 1.00 1.87 C ATOM 215 NZ LYS A 17 -6.901 -17.215 -6.390 1.00 2.52 N ATOM 0 H LYS A 17 -3.491 -12.487 -6.665 1.00 0.39 H new ATOM 0 HA LYS A 17 -2.967 -13.732 -3.973 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -3.577 -14.875 -6.620 1.00 0.49 H new ATOM 0 HB3 LYS A 17 -2.055 -15.469 -5.986 1.00 0.49 H new ATOM 0 HG2 LYS A 17 -3.058 -16.444 -4.087 1.00 0.79 H new ATOM 0 HG3 LYS A 17 -4.406 -15.324 -4.090 1.00 0.79 H new ATOM 0 HD2 LYS A 17 -4.397 -16.830 -6.593 1.00 1.18 H new ATOM 0 HD3 LYS A 17 -4.322 -17.947 -5.245 1.00 1.18 H new ATOM 0 HE2 LYS A 17 -6.379 -17.197 -4.327 1.00 1.87 H new ATOM 0 HE3 LYS A 17 -6.278 -15.633 -5.111 1.00 1.87 H new ATOM 0 HZ1 LYS A 17 -7.910 -17.054 -6.198 1.00 2.52 H new ATOM 0 HZ2 LYS A 17 -6.631 -16.719 -7.263 1.00 2.52 H new ATOM 0 HZ3 LYS A 17 -6.729 -18.234 -6.504 1.00 2.52 H new ATOM 229 N ILE A 18 -0.606 -12.877 -4.179 1.00 0.35 N ATOM 230 CA ILE A 18 0.819 -12.440 -4.305 1.00 0.35 C ATOM 231 C ILE A 18 1.721 -13.322 -3.426 1.00 0.33 C ATOM 232 O ILE A 18 1.489 -13.470 -2.241 1.00 0.39 O ATOM 233 CB ILE A 18 0.934 -10.973 -3.863 1.00 0.40 C ATOM 234 CG1 ILE A 18 -0.079 -10.114 -4.636 1.00 0.47 C ATOM 235 CG2 ILE A 18 2.346 -10.457 -4.143 1.00 0.52 C ATOM 236 CD1 ILE A 18 -1.181 -9.638 -3.687 1.00 0.63 C ATOM 0 H ILE A 18 -0.977 -12.866 -3.229 1.00 0.35 H new ATOM 0 HA ILE A 18 1.139 -12.538 -5.342 1.00 0.35 H new ATOM 0 HB ILE A 18 0.726 -10.909 -2.795 1.00 0.40 H new ATOM 0 HG12 ILE A 18 0.424 -9.257 -5.084 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -0.513 -10.692 -5.452 1.00 0.47 H new ATOM 0 HG21 ILE A 18 2.422 -9.416 -3.828 1.00 0.52 H new ATOM 0 HG22 ILE A 18 3.069 -11.057 -3.591 1.00 0.52 H new ATOM 0 HG23 ILE A 18 2.555 -10.529 -5.210 1.00 0.52 H new ATOM 0 HD11 ILE A 18 -1.898 -9.029 -4.238 1.00 0.63 H new ATOM 0 HD12 ILE A 18 -1.691 -10.501 -3.260 1.00 0.63 H new ATOM 0 HD13 ILE A 18 -0.740 -9.044 -2.886 1.00 0.63 H new ATOM 248 N THR A 19 2.753 -13.897 -4.005 1.00 0.40 N ATOM 249 CA THR A 19 3.691 -14.763 -3.218 1.00 0.40 C ATOM 250 C THR A 19 5.092 -14.127 -3.221 1.00 0.42 C ATOM 251 O THR A 19 5.459 -13.422 -4.145 1.00 0.51 O ATOM 252 CB THR A 19 3.742 -16.170 -3.840 1.00 0.44 C ATOM 253 OG1 THR A 19 4.307 -17.078 -2.904 1.00 0.72 O ATOM 254 CG2 THR A 19 4.590 -16.163 -5.118 1.00 0.92 C ATOM 0 H THR A 19 2.986 -13.802 -4.994 1.00 0.40 H new ATOM 0 HA THR A 19 3.339 -14.848 -2.190 1.00 0.40 H new ATOM 0 HB THR A 19 2.728 -16.479 -4.094 1.00 0.44 H new ATOM 0 HG1 THR A 19 4.339 -17.975 -3.297 1.00 0.72 H new ATOM 0 HG21 THR A 19 4.615 -17.166 -5.544 1.00 0.92 H new ATOM 0 HG22 THR A 19 4.154 -15.473 -5.840 1.00 0.92 H new ATOM 0 HG23 THR A 19 5.605 -15.845 -4.879 1.00 0.92 H new ATOM 407 N LYS A 29 -0.518 -14.795 -0.806 1.00 0.50 N ATOM 408 CA LYS A 29 -1.316 -13.828 0.007 1.00 0.54 C ATOM 409 C LYS A 29 -2.618 -13.511 -0.738 1.00 0.48 C ATOM 410 O LYS A 29 -2.598 -13.055 -1.868 1.00 0.43 O ATOM 411 CB LYS A 29 -0.509 -12.538 0.208 1.00 0.57 C ATOM 412 CG LYS A 29 -0.221 -12.334 1.699 1.00 0.76 C ATOM 413 CD LYS A 29 1.189 -12.836 2.028 1.00 0.82 C ATOM 414 CE LYS A 29 1.110 -13.936 3.091 1.00 0.82 C ATOM 415 NZ LYS A 29 2.428 -14.626 3.205 1.00 1.03 N ATOM 0 HA LYS A 29 -1.544 -14.261 0.981 1.00 0.54 H new ATOM 0 HB2 LYS A 29 0.427 -12.593 -0.348 1.00 0.57 H new ATOM 0 HB3 LYS A 29 -1.064 -11.686 -0.185 1.00 0.57 H new ATOM 0 HG2 LYS A 29 -0.310 -11.278 1.955 1.00 0.76 H new ATOM 0 HG3 LYS A 29 -0.957 -12.870 2.298 1.00 0.76 H new ATOM 0 HD2 LYS A 29 1.668 -13.221 1.128 1.00 0.82 H new ATOM 0 HD3 LYS A 29 1.804 -12.012 2.389 1.00 0.82 H new ATOM 0 HE2 LYS A 29 0.830 -13.505 4.053 1.00 0.82 H new ATOM 0 HE3 LYS A 29 0.335 -14.655 2.826 1.00 0.82 H new ATOM 0 HZ1 LYS A 29 2.368 -15.371 3.928 1.00 1.03 H new ATOM 0 HZ2 LYS A 29 2.678 -15.051 2.289 1.00 1.03 H new ATOM 0 HZ3 LYS A 29 3.158 -13.937 3.478 1.00 1.03 H new ATOM 429 N VAL A 30 -3.748 -13.755 -0.117 1.00 0.54 N ATOM 430 CA VAL A 30 -5.057 -13.478 -0.786 1.00 0.51 C ATOM 431 C VAL A 30 -5.598 -12.124 -0.310 1.00 0.49 C ATOM 432 O VAL A 30 -5.845 -11.921 0.866 1.00 0.64 O ATOM 433 CB VAL A 30 -6.059 -14.590 -0.443 1.00 0.65 C ATOM 434 CG1 VAL A 30 -7.374 -14.349 -1.190 1.00 0.73 C ATOM 435 CG2 VAL A 30 -5.483 -15.948 -0.860 1.00 0.74 C ATOM 0 H VAL A 30 -3.819 -14.135 0.827 1.00 0.54 H new ATOM 0 HA VAL A 30 -4.914 -13.449 -1.866 1.00 0.51 H new ATOM 0 HB VAL A 30 -6.244 -14.585 0.631 1.00 0.65 H new ATOM 0 HG11 VAL A 30 -8.082 -15.140 -0.944 1.00 0.73 H new ATOM 0 HG12 VAL A 30 -7.789 -13.385 -0.894 1.00 0.73 H new ATOM 0 HG13 VAL A 30 -7.188 -14.350 -2.264 1.00 0.73 H new ATOM 0 HG21 VAL A 30 -6.195 -16.736 -0.616 1.00 0.74 H new ATOM 0 HG22 VAL A 30 -5.295 -15.949 -1.934 1.00 0.74 H new ATOM 0 HG23 VAL A 30 -4.549 -16.126 -0.328 1.00 0.74 H new ATOM 445 N LEU A 31 -5.779 -11.198 -1.225 1.00 0.43 N ATOM 446 CA LEU A 31 -6.300 -9.848 -0.853 1.00 0.45 C ATOM 447 C LEU A 31 -7.619 -9.591 -1.594 1.00 0.40 C ATOM 448 O LEU A 31 -7.634 -9.354 -2.790 1.00 0.42 O ATOM 449 CB LEU A 31 -5.268 -8.780 -1.243 1.00 0.50 C ATOM 450 CG LEU A 31 -4.756 -8.072 0.017 1.00 0.61 C ATOM 451 CD1 LEU A 31 -3.226 -8.117 0.042 1.00 0.88 C ATOM 452 CD2 LEU A 31 -5.225 -6.615 0.008 1.00 0.87 C ATOM 0 H LEU A 31 -5.586 -11.324 -2.219 1.00 0.43 H new ATOM 0 HA LEU A 31 -6.476 -9.804 0.222 1.00 0.45 H new ATOM 0 HB2 LEU A 31 -4.437 -9.241 -1.776 1.00 0.50 H new ATOM 0 HB3 LEU A 31 -5.719 -8.055 -1.921 1.00 0.50 H new ATOM 0 HG LEU A 31 -5.148 -8.574 0.902 1.00 0.61 H new ATOM 0 HD11 LEU A 31 -2.862 -7.614 0.938 1.00 0.88 H new ATOM 0 HD12 LEU A 31 -2.893 -9.155 0.048 1.00 0.88 H new ATOM 0 HD13 LEU A 31 -2.833 -7.615 -0.842 1.00 0.88 H new ATOM 0 HD21 LEU A 31 -4.862 -6.110 0.903 1.00 0.87 H new ATOM 0 HD22 LEU A 31 -4.833 -6.112 -0.876 1.00 0.87 H new ATOM 0 HD23 LEU A 31 -6.314 -6.584 -0.009 1.00 0.87 H new ATOM 464 N SER A 32 -8.725 -9.643 -0.889 1.00 0.42 N ATOM 465 CA SER A 32 -10.051 -9.408 -1.540 1.00 0.42 C ATOM 466 C SER A 32 -10.500 -7.963 -1.287 1.00 0.44 C ATOM 467 O SER A 32 -10.904 -7.609 -0.192 1.00 0.51 O ATOM 468 CB SER A 32 -11.085 -10.380 -0.962 1.00 0.50 C ATOM 469 OG SER A 32 -11.174 -11.525 -1.802 1.00 0.91 O ATOM 0 H SER A 32 -8.765 -9.839 0.111 1.00 0.42 H new ATOM 0 HA SER A 32 -9.962 -9.573 -2.614 1.00 0.42 H new ATOM 0 HB2 SER A 32 -10.799 -10.676 0.047 1.00 0.50 H new ATOM 0 HB3 SER A 32 -12.057 -9.893 -0.887 1.00 0.50 H new ATOM 0 HG SER A 32 -11.833 -12.150 -1.434 1.00 0.91 H new ATOM 475 N VAL A 33 -10.430 -7.130 -2.299 1.00 0.41 N ATOM 476 CA VAL A 33 -10.850 -5.700 -2.147 1.00 0.45 C ATOM 477 C VAL A 33 -11.724 -5.294 -3.345 1.00 0.42 C ATOM 478 O VAL A 33 -11.643 -5.898 -4.397 1.00 0.40 O ATOM 479 CB VAL A 33 -9.611 -4.792 -2.089 1.00 0.48 C ATOM 480 CG1 VAL A 33 -8.862 -5.022 -0.774 1.00 0.64 C ATOM 481 CG2 VAL A 33 -8.681 -5.103 -3.267 1.00 0.49 C ATOM 0 H VAL A 33 -10.098 -7.382 -3.230 1.00 0.41 H new ATOM 0 HA VAL A 33 -11.418 -5.591 -1.223 1.00 0.45 H new ATOM 0 HB VAL A 33 -9.931 -3.752 -2.147 1.00 0.48 H new ATOM 0 HG11 VAL A 33 -7.985 -4.376 -0.737 1.00 0.64 H new ATOM 0 HG12 VAL A 33 -9.519 -4.790 0.064 1.00 0.64 H new ATOM 0 HG13 VAL A 33 -8.549 -6.064 -0.711 1.00 0.64 H new ATOM 0 HG21 VAL A 33 -7.805 -4.456 -3.220 1.00 0.49 H new ATOM 0 HG22 VAL A 33 -8.366 -6.145 -3.216 1.00 0.49 H new ATOM 0 HG23 VAL A 33 -9.210 -4.929 -4.204 1.00 0.49 H new ATOM 491 N PRO A 34 -12.531 -4.275 -3.149 1.00 0.46 N ATOM 492 CA PRO A 34 -13.431 -3.760 -4.201 1.00 0.49 C ATOM 493 C PRO A 34 -12.642 -2.953 -5.244 1.00 0.44 C ATOM 494 O PRO A 34 -11.528 -2.523 -4.999 1.00 0.42 O ATOM 495 CB PRO A 34 -14.412 -2.870 -3.433 1.00 0.58 C ATOM 496 CG PRO A 34 -13.706 -2.478 -2.114 1.00 0.60 C ATOM 497 CD PRO A 34 -12.618 -3.541 -1.868 1.00 0.54 C ATOM 0 HA PRO A 34 -13.934 -4.550 -4.759 1.00 0.49 H new ATOM 0 HB2 PRO A 34 -14.669 -1.984 -4.014 1.00 0.58 H new ATOM 0 HB3 PRO A 34 -15.343 -3.401 -3.232 1.00 0.58 H new ATOM 0 HG2 PRO A 34 -13.267 -1.483 -2.190 1.00 0.60 H new ATOM 0 HG3 PRO A 34 -14.416 -2.451 -1.287 1.00 0.60 H new ATOM 0 HD2 PRO A 34 -11.665 -3.082 -1.607 1.00 0.54 H new ATOM 0 HD3 PRO A 34 -12.888 -4.204 -1.046 1.00 0.54 H new ATOM 505 N GLU A 35 -13.221 -2.752 -6.407 1.00 0.49 N ATOM 506 CA GLU A 35 -12.526 -1.976 -7.485 1.00 0.51 C ATOM 507 C GLU A 35 -12.158 -0.576 -6.968 1.00 0.49 C ATOM 508 O GLU A 35 -11.140 -0.022 -7.346 1.00 0.53 O ATOM 509 CB GLU A 35 -13.457 -1.856 -8.699 1.00 0.60 C ATOM 510 CG GLU A 35 -12.772 -1.051 -9.810 1.00 0.67 C ATOM 511 CD GLU A 35 -13.453 0.313 -9.959 1.00 0.77 C ATOM 512 OE1 GLU A 35 -14.442 0.387 -10.671 1.00 0.88 O ATOM 513 OE2 GLU A 35 -12.974 1.263 -9.361 1.00 0.86 O ATOM 0 H GLU A 35 -14.149 -3.094 -6.656 1.00 0.49 H new ATOM 0 HA GLU A 35 -11.612 -2.494 -7.776 1.00 0.51 H new ATOM 0 HB2 GLU A 35 -13.718 -2.848 -9.066 1.00 0.60 H new ATOM 0 HB3 GLU A 35 -14.387 -1.369 -8.407 1.00 0.60 H new ATOM 0 HG2 GLU A 35 -11.716 -0.917 -9.576 1.00 0.67 H new ATOM 0 HG3 GLU A 35 -12.823 -1.598 -10.752 1.00 0.67 H new ATOM 520 N SER A 36 -12.974 -0.007 -6.105 1.00 0.48 N ATOM 521 CA SER A 36 -12.681 1.355 -5.550 1.00 0.50 C ATOM 522 C SER A 36 -11.289 1.369 -4.898 1.00 0.47 C ATOM 523 O SER A 36 -10.538 2.313 -5.054 1.00 0.53 O ATOM 524 CB SER A 36 -13.739 1.727 -4.504 1.00 0.55 C ATOM 525 OG SER A 36 -13.873 0.668 -3.560 1.00 0.58 O ATOM 0 H SER A 36 -13.835 -0.432 -5.761 1.00 0.48 H new ATOM 0 HA SER A 36 -12.703 2.080 -6.363 1.00 0.50 H new ATOM 0 HB2 SER A 36 -13.453 2.647 -3.995 1.00 0.55 H new ATOM 0 HB3 SER A 36 -14.696 1.916 -4.991 1.00 0.55 H new ATOM 0 HG SER A 36 -14.548 0.909 -2.892 1.00 0.58 H new ATOM 531 N THR A 37 -10.943 0.325 -4.173 1.00 0.42 N ATOM 532 CA THR A 37 -9.600 0.267 -3.513 1.00 0.41 C ATOM 533 C THR A 37 -8.504 0.212 -4.592 1.00 0.39 C ATOM 534 O THR A 37 -8.526 -0.653 -5.447 1.00 0.41 O ATOM 535 CB THR A 37 -9.517 -0.985 -2.626 1.00 0.41 C ATOM 536 OG1 THR A 37 -10.402 -0.842 -1.523 1.00 0.50 O ATOM 537 CG2 THR A 37 -8.087 -1.165 -2.107 1.00 0.47 C ATOM 0 H THR A 37 -11.536 -0.489 -4.012 1.00 0.42 H new ATOM 0 HA THR A 37 -9.457 1.154 -2.896 1.00 0.41 H new ATOM 0 HB THR A 37 -9.798 -1.858 -3.214 1.00 0.41 H new ATOM 0 HG1 THR A 37 -10.238 -1.560 -0.877 1.00 0.50 H new ATOM 0 HG21 THR A 37 -8.037 -2.055 -1.479 1.00 0.47 H new ATOM 0 HG22 THR A 37 -7.405 -1.277 -2.950 1.00 0.47 H new ATOM 0 HG23 THR A 37 -7.800 -0.291 -1.522 1.00 0.47 H new ATOM 545 N PRO A 38 -7.581 1.148 -4.521 1.00 0.39 N ATOM 546 CA PRO A 38 -6.461 1.243 -5.482 1.00 0.40 C ATOM 547 C PRO A 38 -5.359 0.219 -5.162 1.00 0.36 C ATOM 548 O PRO A 38 -5.314 -0.351 -4.081 1.00 0.35 O ATOM 549 CB PRO A 38 -5.946 2.671 -5.290 1.00 0.46 C ATOM 550 CG PRO A 38 -6.394 3.113 -3.876 1.00 0.48 C ATOM 551 CD PRO A 38 -7.566 2.197 -3.478 1.00 0.43 C ATOM 0 HA PRO A 38 -6.769 1.031 -6.506 1.00 0.40 H new ATOM 0 HB2 PRO A 38 -4.861 2.708 -5.382 1.00 0.46 H new ATOM 0 HB3 PRO A 38 -6.353 3.336 -6.052 1.00 0.46 H new ATOM 0 HG2 PRO A 38 -5.573 3.023 -3.164 1.00 0.48 H new ATOM 0 HG3 PRO A 38 -6.703 4.158 -3.877 1.00 0.48 H new ATOM 0 HD2 PRO A 38 -7.418 1.770 -2.486 1.00 0.43 H new ATOM 0 HD3 PRO A 38 -8.508 2.745 -3.451 1.00 0.43 H new ATOM 559 N PHE A 39 -4.463 -0.003 -6.097 1.00 0.37 N ATOM 560 CA PHE A 39 -3.348 -0.974 -5.868 1.00 0.34 C ATOM 561 C PHE A 39 -2.416 -0.451 -4.763 1.00 0.32 C ATOM 562 O PHE A 39 -1.658 -1.207 -4.186 1.00 0.32 O ATOM 563 CB PHE A 39 -2.557 -1.170 -7.166 1.00 0.38 C ATOM 564 CG PHE A 39 -1.908 -2.537 -7.165 1.00 0.39 C ATOM 565 CD1 PHE A 39 -2.702 -3.692 -7.118 1.00 0.45 C ATOM 566 CD2 PHE A 39 -0.513 -2.650 -7.212 1.00 0.48 C ATOM 567 CE1 PHE A 39 -2.100 -4.955 -7.119 1.00 0.50 C ATOM 568 CE2 PHE A 39 0.088 -3.915 -7.213 1.00 0.54 C ATOM 569 CZ PHE A 39 -0.706 -5.067 -7.166 1.00 0.52 C ATOM 0 H PHE A 39 -4.458 0.449 -7.011 1.00 0.37 H new ATOM 0 HA PHE A 39 -3.767 -1.931 -5.556 1.00 0.34 H new ATOM 0 HB2 PHE A 39 -3.220 -1.072 -8.026 1.00 0.38 H new ATOM 0 HB3 PHE A 39 -1.796 -0.395 -7.260 1.00 0.38 H new ATOM 0 HD1 PHE A 39 -3.778 -3.607 -7.081 1.00 0.45 H new ATOM 0 HD2 PHE A 39 0.100 -1.761 -7.247 1.00 0.48 H new ATOM 0 HE1 PHE A 39 -2.712 -5.844 -7.083 1.00 0.50 H new ATOM 0 HE2 PHE A 39 1.164 -4.002 -7.250 1.00 0.54 H new ATOM 0 HZ PHE A 39 -0.242 -6.042 -7.166 1.00 0.52 H new ATOM 579 N THR A 40 -2.476 0.831 -4.452 1.00 0.35 N ATOM 580 CA THR A 40 -1.607 1.390 -3.367 1.00 0.37 C ATOM 581 C THR A 40 -1.953 0.689 -2.048 1.00 0.35 C ATOM 582 O THR A 40 -1.080 0.274 -1.307 1.00 0.38 O ATOM 583 CB THR A 40 -1.850 2.901 -3.221 1.00 0.41 C ATOM 584 OG1 THR A 40 -3.246 3.159 -3.144 1.00 0.45 O ATOM 585 CG2 THR A 40 -1.262 3.637 -4.425 1.00 0.49 C ATOM 0 H THR A 40 -3.090 1.508 -4.905 1.00 0.35 H new ATOM 0 HA THR A 40 -0.559 1.224 -3.618 1.00 0.37 H new ATOM 0 HB THR A 40 -1.367 3.253 -2.310 1.00 0.41 H new ATOM 0 HG1 THR A 40 -3.396 4.123 -3.049 1.00 0.45 H new ATOM 0 HG21 THR A 40 -1.436 4.708 -4.318 1.00 0.49 H new ATOM 0 HG22 THR A 40 -0.190 3.448 -4.479 1.00 0.49 H new ATOM 0 HG23 THR A 40 -1.740 3.281 -5.338 1.00 0.49 H new ATOM 593 N ALA A 41 -3.230 0.544 -1.765 1.00 0.36 N ATOM 594 CA ALA A 41 -3.662 -0.143 -0.510 1.00 0.37 C ATOM 595 C ALA A 41 -3.450 -1.654 -0.662 1.00 0.34 C ATOM 596 O ALA A 41 -3.062 -2.326 0.277 1.00 0.37 O ATOM 597 CB ALA A 41 -5.145 0.143 -0.255 1.00 0.43 C ATOM 0 H ALA A 41 -3.992 0.876 -2.356 1.00 0.36 H new ATOM 0 HA ALA A 41 -3.074 0.226 0.330 1.00 0.37 H new ATOM 0 HB1 ALA A 41 -5.460 -0.358 0.660 1.00 0.43 H new ATOM 0 HB2 ALA A 41 -5.296 1.217 -0.151 1.00 0.43 H new ATOM 0 HB3 ALA A 41 -5.736 -0.227 -1.093 1.00 0.43 H new ATOM 603 N VAL A 42 -3.696 -2.189 -1.842 1.00 0.31 N ATOM 604 CA VAL A 42 -3.503 -3.658 -2.067 1.00 0.31 C ATOM 605 C VAL A 42 -2.027 -4.019 -1.837 1.00 0.30 C ATOM 606 O VAL A 42 -1.716 -4.989 -1.170 1.00 0.36 O ATOM 607 CB VAL A 42 -3.904 -4.016 -3.506 1.00 0.36 C ATOM 608 CG1 VAL A 42 -3.638 -5.503 -3.764 1.00 0.45 C ATOM 609 CG2 VAL A 42 -5.395 -3.729 -3.709 1.00 0.45 C ATOM 0 H VAL A 42 -4.022 -1.668 -2.656 1.00 0.31 H new ATOM 0 HA VAL A 42 -4.127 -4.218 -1.371 1.00 0.31 H new ATOM 0 HB VAL A 42 -3.316 -3.416 -4.200 1.00 0.36 H new ATOM 0 HG11 VAL A 42 -3.924 -5.752 -4.786 1.00 0.45 H new ATOM 0 HG12 VAL A 42 -2.578 -5.713 -3.623 1.00 0.45 H new ATOM 0 HG13 VAL A 42 -4.223 -6.103 -3.067 1.00 0.45 H new ATOM 0 HG21 VAL A 42 -5.679 -3.983 -4.730 1.00 0.45 H new ATOM 0 HG22 VAL A 42 -5.979 -4.328 -3.010 1.00 0.45 H new ATOM 0 HG23 VAL A 42 -5.589 -2.671 -3.531 1.00 0.45 H new ATOM 619 N LEU A 43 -1.121 -3.239 -2.383 1.00 0.30 N ATOM 620 CA LEU A 43 0.339 -3.512 -2.208 1.00 0.31 C ATOM 621 C LEU A 43 0.734 -3.306 -0.739 1.00 0.31 C ATOM 622 O LEU A 43 1.551 -4.033 -0.208 1.00 0.36 O ATOM 623 CB LEU A 43 1.146 -2.552 -3.092 1.00 0.35 C ATOM 624 CG LEU A 43 2.560 -3.105 -3.304 1.00 0.41 C ATOM 625 CD1 LEU A 43 2.918 -3.038 -4.790 1.00 0.50 C ATOM 626 CD2 LEU A 43 3.564 -2.270 -2.502 1.00 0.60 C ATOM 0 H LEU A 43 -1.336 -2.417 -2.948 1.00 0.30 H new ATOM 0 HA LEU A 43 0.550 -4.542 -2.496 1.00 0.31 H new ATOM 0 HB2 LEU A 43 0.648 -2.423 -4.053 1.00 0.35 H new ATOM 0 HB3 LEU A 43 1.197 -1.569 -2.625 1.00 0.35 H new ATOM 0 HG LEU A 43 2.596 -4.141 -2.966 1.00 0.41 H new ATOM 0 HD11 LEU A 43 3.923 -3.431 -4.940 1.00 0.50 H new ATOM 0 HD12 LEU A 43 2.206 -3.633 -5.363 1.00 0.50 H new ATOM 0 HD13 LEU A 43 2.880 -2.002 -5.127 1.00 0.50 H new ATOM 0 HD21 LEU A 43 4.569 -2.664 -2.654 1.00 0.60 H new ATOM 0 HD22 LEU A 43 3.526 -1.234 -2.838 1.00 0.60 H new ATOM 0 HD23 LEU A 43 3.312 -2.317 -1.443 1.00 0.60 H new ATOM 638 N LYS A 44 0.159 -2.321 -0.085 1.00 0.33 N ATOM 639 CA LYS A 44 0.495 -2.058 1.351 1.00 0.37 C ATOM 640 C LYS A 44 0.077 -3.255 2.213 1.00 0.32 C ATOM 641 O LYS A 44 0.827 -3.705 3.060 1.00 0.36 O ATOM 642 CB LYS A 44 -0.241 -0.804 1.828 1.00 0.43 C ATOM 643 CG LYS A 44 0.765 0.332 2.023 1.00 0.77 C ATOM 644 CD LYS A 44 0.065 1.540 2.650 1.00 1.34 C ATOM 645 CE LYS A 44 0.541 2.824 1.960 1.00 1.82 C ATOM 646 NZ LYS A 44 -0.421 3.214 0.887 1.00 2.53 N ATOM 0 H LYS A 44 -0.531 -1.687 -0.487 1.00 0.33 H new ATOM 0 HA LYS A 44 1.571 -1.907 1.444 1.00 0.37 H new ATOM 0 HB2 LYS A 44 -0.998 -0.514 1.099 1.00 0.43 H new ATOM 0 HB3 LYS A 44 -0.762 -1.008 2.764 1.00 0.43 H new ATOM 0 HG2 LYS A 44 1.582 0.001 2.663 1.00 0.77 H new ATOM 0 HG3 LYS A 44 1.203 0.611 1.065 1.00 0.77 H new ATOM 0 HD2 LYS A 44 -1.016 1.440 2.549 1.00 1.34 H new ATOM 0 HD3 LYS A 44 0.283 1.586 3.717 1.00 1.34 H new ATOM 0 HE2 LYS A 44 0.629 3.628 2.691 1.00 1.82 H new ATOM 0 HE3 LYS A 44 1.532 2.671 1.533 1.00 1.82 H new ATOM 0 HZ1 LYS A 44 -0.091 4.085 0.425 1.00 2.53 H new ATOM 0 HZ2 LYS A 44 -0.484 2.451 0.183 1.00 2.53 H new ATOM 0 HZ3 LYS A 44 -1.359 3.378 1.305 1.00 2.53 H new ATOM 660 N PHE A 45 -1.112 -3.774 2.000 1.00 0.34 N ATOM 661 CA PHE A 45 -1.583 -4.946 2.802 1.00 0.35 C ATOM 662 C PHE A 45 -0.719 -6.171 2.476 1.00 0.32 C ATOM 663 O PHE A 45 -0.300 -6.891 3.363 1.00 0.35 O ATOM 664 CB PHE A 45 -3.049 -5.242 2.464 1.00 0.44 C ATOM 665 CG PHE A 45 -3.784 -5.669 3.714 1.00 0.52 C ATOM 666 CD1 PHE A 45 -3.959 -4.764 4.770 1.00 1.03 C ATOM 667 CD2 PHE A 45 -4.295 -6.970 3.817 1.00 0.78 C ATOM 668 CE1 PHE A 45 -4.642 -5.160 5.926 1.00 1.38 C ATOM 669 CE2 PHE A 45 -4.976 -7.365 4.973 1.00 1.11 C ATOM 670 CZ PHE A 45 -5.151 -6.461 6.027 1.00 1.33 C ATOM 0 H PHE A 45 -1.775 -3.434 1.304 1.00 0.34 H new ATOM 0 HA PHE A 45 -1.497 -4.718 3.864 1.00 0.35 H new ATOM 0 HB2 PHE A 45 -3.520 -4.356 2.038 1.00 0.44 H new ATOM 0 HB3 PHE A 45 -3.107 -6.027 1.710 1.00 0.44 H new ATOM 0 HD1 PHE A 45 -3.567 -3.761 4.692 1.00 1.03 H new ATOM 0 HD2 PHE A 45 -4.163 -7.668 3.003 1.00 0.78 H new ATOM 0 HE1 PHE A 45 -4.776 -4.463 6.740 1.00 1.38 H new ATOM 0 HE2 PHE A 45 -5.367 -8.369 5.052 1.00 1.11 H new ATOM 0 HZ PHE A 45 -5.679 -6.767 6.918 1.00 1.33 H new ATOM 680 N ALA A 46 -0.443 -6.403 1.210 1.00 0.35 N ATOM 681 CA ALA A 46 0.402 -7.574 0.817 1.00 0.39 C ATOM 682 C ALA A 46 1.802 -7.425 1.429 1.00 0.36 C ATOM 683 O ALA A 46 2.339 -8.359 1.994 1.00 0.41 O ATOM 684 CB ALA A 46 0.512 -7.638 -0.709 1.00 0.46 C ATOM 0 H ALA A 46 -0.769 -5.828 0.433 1.00 0.35 H new ATOM 0 HA ALA A 46 -0.057 -8.492 1.184 1.00 0.39 H new ATOM 0 HB1 ALA A 46 1.128 -8.491 -0.994 1.00 0.46 H new ATOM 0 HB2 ALA A 46 -0.483 -7.748 -1.141 1.00 0.46 H new ATOM 0 HB3 ALA A 46 0.969 -6.721 -1.080 1.00 0.46 H new ATOM 690 N ALA A 47 2.386 -6.249 1.326 1.00 0.34 N ATOM 691 CA ALA A 47 3.747 -6.017 1.905 1.00 0.35 C ATOM 692 C ALA A 47 3.688 -6.156 3.432 1.00 0.34 C ATOM 693 O ALA A 47 4.612 -6.654 4.050 1.00 0.38 O ATOM 694 CB ALA A 47 4.230 -4.609 1.538 1.00 0.39 C ATOM 0 H ALA A 47 1.974 -5.439 0.863 1.00 0.34 H new ATOM 0 HA ALA A 47 4.440 -6.754 1.501 1.00 0.35 H new ATOM 0 HB1 ALA A 47 5.221 -4.443 1.961 1.00 0.39 H new ATOM 0 HB2 ALA A 47 4.277 -4.512 0.453 1.00 0.39 H new ATOM 0 HB3 ALA A 47 3.536 -3.870 1.939 1.00 0.39 H new ATOM 700 N GLU A 48 2.603 -5.725 4.041 1.00 0.34 N ATOM 701 CA GLU A 48 2.464 -5.833 5.528 1.00 0.37 C ATOM 702 C GLU A 48 2.554 -7.307 5.943 1.00 0.39 C ATOM 703 O GLU A 48 3.256 -7.652 6.877 1.00 0.45 O ATOM 704 CB GLU A 48 1.106 -5.258 5.953 1.00 0.41 C ATOM 705 CG GLU A 48 0.988 -5.277 7.482 1.00 0.49 C ATOM 706 CD GLU A 48 -0.049 -6.325 7.906 1.00 0.61 C ATOM 707 OE1 GLU A 48 -1.221 -5.988 7.950 1.00 0.72 O ATOM 708 OE2 GLU A 48 0.349 -7.447 8.179 1.00 0.74 O ATOM 0 H GLU A 48 1.806 -5.301 3.566 1.00 0.34 H new ATOM 0 HA GLU A 48 3.263 -5.273 6.014 1.00 0.37 H new ATOM 0 HB2 GLU A 48 1.001 -4.238 5.584 1.00 0.41 H new ATOM 0 HB3 GLU A 48 0.299 -5.842 5.510 1.00 0.41 H new ATOM 0 HG2 GLU A 48 1.955 -5.507 7.928 1.00 0.49 H new ATOM 0 HG3 GLU A 48 0.695 -4.292 7.846 1.00 0.49 H new ATOM 715 N GLU A 49 1.856 -8.175 5.246 1.00 0.40 N ATOM 716 CA GLU A 49 1.899 -9.632 5.579 1.00 0.47 C ATOM 717 C GLU A 49 3.269 -10.213 5.193 1.00 0.47 C ATOM 718 O GLU A 49 3.738 -11.160 5.799 1.00 0.56 O ATOM 719 CB GLU A 49 0.798 -10.367 4.805 1.00 0.54 C ATOM 720 CG GLU A 49 -0.518 -10.303 5.590 1.00 0.58 C ATOM 721 CD GLU A 49 -1.381 -9.148 5.065 1.00 0.55 C ATOM 722 OE1 GLU A 49 -1.982 -9.312 4.014 1.00 0.63 O ATOM 723 OE2 GLU A 49 -1.430 -8.122 5.723 1.00 0.61 O ATOM 0 H GLU A 49 1.256 -7.933 4.457 1.00 0.40 H new ATOM 0 HA GLU A 49 1.741 -9.760 6.650 1.00 0.47 H new ATOM 0 HB2 GLU A 49 0.668 -9.915 3.822 1.00 0.54 H new ATOM 0 HB3 GLU A 49 1.086 -11.406 4.643 1.00 0.54 H new ATOM 0 HG2 GLU A 49 -1.057 -11.245 5.492 1.00 0.58 H new ATOM 0 HG3 GLU A 49 -0.313 -10.162 6.651 1.00 0.58 H new ATOM 730 N PHE A 50 3.909 -9.651 4.190 1.00 0.41 N ATOM 731 CA PHE A 50 5.249 -10.161 3.753 1.00 0.44 C ATOM 732 C PHE A 50 6.369 -9.587 4.642 1.00 0.44 C ATOM 733 O PHE A 50 7.526 -9.929 4.473 1.00 0.51 O ATOM 734 CB PHE A 50 5.498 -9.742 2.300 1.00 0.45 C ATOM 735 CG PHE A 50 4.896 -10.765 1.364 1.00 0.43 C ATOM 736 CD1 PHE A 50 5.259 -12.113 1.470 1.00 0.50 C ATOM 737 CD2 PHE A 50 3.975 -10.363 0.389 1.00 0.48 C ATOM 738 CE1 PHE A 50 4.701 -13.057 0.603 1.00 0.56 C ATOM 739 CE2 PHE A 50 3.418 -11.309 -0.478 1.00 0.51 C ATOM 740 CZ PHE A 50 3.781 -12.656 -0.370 1.00 0.53 C ATOM 0 H PHE A 50 3.557 -8.857 3.654 1.00 0.41 H new ATOM 0 HA PHE A 50 5.254 -11.247 3.841 1.00 0.44 H new ATOM 0 HB2 PHE A 50 5.059 -8.762 2.114 1.00 0.45 H new ATOM 0 HB3 PHE A 50 6.569 -9.652 2.116 1.00 0.45 H new ATOM 0 HD1 PHE A 50 5.970 -12.423 2.221 1.00 0.50 H new ATOM 0 HD2 PHE A 50 3.695 -9.323 0.306 1.00 0.48 H new ATOM 0 HE1 PHE A 50 4.981 -14.097 0.685 1.00 0.56 H new ATOM 0 HE2 PHE A 50 2.708 -11.000 -1.231 1.00 0.51 H new ATOM 0 HZ PHE A 50 3.350 -13.386 -1.039 1.00 0.53 H new ATOM 750 N LYS A 51 6.039 -8.716 5.577 1.00 0.41 N ATOM 751 CA LYS A 51 7.078 -8.110 6.476 1.00 0.45 C ATOM 752 C LYS A 51 8.032 -7.227 5.649 1.00 0.45 C ATOM 753 O LYS A 51 9.221 -7.163 5.909 1.00 0.55 O ATOM 754 CB LYS A 51 7.863 -9.225 7.188 1.00 0.54 C ATOM 755 CG LYS A 51 7.398 -9.332 8.644 1.00 0.94 C ATOM 756 CD LYS A 51 6.579 -10.616 8.831 1.00 1.30 C ATOM 757 CE LYS A 51 5.319 -10.312 9.649 1.00 1.44 C ATOM 758 NZ LYS A 51 4.112 -10.787 8.910 1.00 1.65 N ATOM 0 H LYS A 51 5.086 -8.399 5.754 1.00 0.41 H new ATOM 0 HA LYS A 51 6.589 -7.490 7.227 1.00 0.45 H new ATOM 0 HB2 LYS A 51 7.710 -10.175 6.676 1.00 0.54 H new ATOM 0 HB3 LYS A 51 8.931 -9.012 7.152 1.00 0.54 H new ATOM 0 HG2 LYS A 51 8.260 -9.338 9.312 1.00 0.94 H new ATOM 0 HG3 LYS A 51 6.796 -8.463 8.909 1.00 0.94 H new ATOM 0 HD2 LYS A 51 6.303 -11.027 7.860 1.00 1.30 H new ATOM 0 HD3 LYS A 51 7.180 -11.371 9.338 1.00 1.30 H new ATOM 0 HE2 LYS A 51 5.378 -10.802 10.621 1.00 1.44 H new ATOM 0 HE3 LYS A 51 5.245 -9.241 9.836 1.00 1.44 H new ATOM 0 HZ1 LYS A 51 3.281 -10.240 9.214 1.00 1.65 H new ATOM 0 HZ2 LYS A 51 4.257 -10.658 7.888 1.00 1.65 H new ATOM 0 HZ3 LYS A 51 3.955 -11.795 9.112 1.00 1.65 H new ATOM 772 N VAL A 52 7.507 -6.539 4.659 1.00 0.40 N ATOM 773 CA VAL A 52 8.358 -5.646 3.807 1.00 0.42 C ATOM 774 C VAL A 52 7.688 -4.268 3.678 1.00 0.39 C ATOM 775 O VAL A 52 6.485 -4.150 3.837 1.00 0.39 O ATOM 776 CB VAL A 52 8.535 -6.264 2.410 1.00 0.45 C ATOM 777 CG1 VAL A 52 9.394 -7.527 2.510 1.00 0.63 C ATOM 778 CG2 VAL A 52 7.168 -6.626 1.816 1.00 0.47 C ATOM 0 H VAL A 52 6.520 -6.559 4.404 1.00 0.40 H new ATOM 0 HA VAL A 52 9.336 -5.534 4.274 1.00 0.42 H new ATOM 0 HB VAL A 52 9.026 -5.537 1.763 1.00 0.45 H new ATOM 0 HG11 VAL A 52 9.517 -7.962 1.518 1.00 0.63 H new ATOM 0 HG12 VAL A 52 10.372 -7.271 2.918 1.00 0.63 H new ATOM 0 HG13 VAL A 52 8.905 -8.248 3.165 1.00 0.63 H new ATOM 0 HG21 VAL A 52 7.305 -7.063 0.827 1.00 0.47 H new ATOM 0 HG22 VAL A 52 6.669 -7.346 2.464 1.00 0.47 H new ATOM 0 HG23 VAL A 52 6.557 -5.727 1.734 1.00 0.47 H new ATOM 788 N PRO A 53 8.489 -3.264 3.392 1.00 0.44 N ATOM 789 CA PRO A 53 8.004 -1.879 3.231 1.00 0.47 C ATOM 790 C PRO A 53 7.316 -1.702 1.874 1.00 0.44 C ATOM 791 O PRO A 53 7.886 -1.988 0.838 1.00 0.49 O ATOM 792 CB PRO A 53 9.277 -1.035 3.320 1.00 0.57 C ATOM 793 CG PRO A 53 10.451 -1.978 2.965 1.00 0.59 C ATOM 794 CD PRO A 53 9.948 -3.416 3.198 1.00 0.52 C ATOM 0 HA PRO A 53 7.263 -1.597 3.979 1.00 0.47 H new ATOM 0 HB2 PRO A 53 9.233 -0.192 2.630 1.00 0.57 H new ATOM 0 HB3 PRO A 53 9.400 -0.622 4.321 1.00 0.57 H new ATOM 0 HG2 PRO A 53 10.760 -1.839 1.929 1.00 0.59 H new ATOM 0 HG3 PRO A 53 11.320 -1.766 3.588 1.00 0.59 H new ATOM 0 HD2 PRO A 53 10.172 -4.059 2.347 1.00 0.52 H new ATOM 0 HD3 PRO A 53 10.421 -3.867 4.071 1.00 0.52 H new ATOM 802 N ALA A 54 6.092 -1.233 1.886 1.00 0.44 N ATOM 803 CA ALA A 54 5.333 -1.028 0.609 1.00 0.47 C ATOM 804 C ALA A 54 6.013 0.053 -0.243 1.00 0.48 C ATOM 805 O ALA A 54 6.056 -0.045 -1.456 1.00 0.54 O ATOM 806 CB ALA A 54 3.899 -0.594 0.931 1.00 0.57 C ATOM 0 H ALA A 54 5.581 -0.981 2.732 1.00 0.44 H new ATOM 0 HA ALA A 54 5.318 -1.964 0.051 1.00 0.47 H new ATOM 0 HB1 ALA A 54 3.347 -0.445 0.003 1.00 0.57 H new ATOM 0 HB2 ALA A 54 3.410 -1.366 1.524 1.00 0.57 H new ATOM 0 HB3 ALA A 54 3.919 0.338 1.495 1.00 0.57 H new ATOM 812 N ALA A 55 6.540 1.081 0.386 1.00 0.53 N ATOM 813 CA ALA A 55 7.218 2.178 -0.374 1.00 0.59 C ATOM 814 C ALA A 55 8.445 1.630 -1.118 1.00 0.53 C ATOM 815 O ALA A 55 8.749 2.057 -2.217 1.00 0.62 O ATOM 816 CB ALA A 55 7.663 3.274 0.601 1.00 0.70 C ATOM 0 H ALA A 55 6.528 1.205 1.398 1.00 0.53 H new ATOM 0 HA ALA A 55 6.517 2.591 -1.100 1.00 0.59 H new ATOM 0 HB1 ALA A 55 8.157 4.074 0.049 1.00 0.70 H new ATOM 0 HB2 ALA A 55 6.792 3.675 1.119 1.00 0.70 H new ATOM 0 HB3 ALA A 55 8.357 2.854 1.329 1.00 0.70 H new ATOM 822 N THR A 56 9.150 0.690 -0.527 1.00 0.47 N ATOM 823 CA THR A 56 10.360 0.114 -1.197 1.00 0.48 C ATOM 824 C THR A 56 10.040 -1.302 -1.710 1.00 0.43 C ATOM 825 O THR A 56 10.841 -2.214 -1.585 1.00 0.49 O ATOM 826 CB THR A 56 11.529 0.058 -0.195 1.00 0.58 C ATOM 827 OG1 THR A 56 11.526 1.226 0.618 1.00 0.69 O ATOM 828 CG2 THR A 56 12.855 -0.028 -0.958 1.00 0.69 C ATOM 0 H THR A 56 8.938 0.298 0.391 1.00 0.47 H new ATOM 0 HA THR A 56 10.643 0.744 -2.040 1.00 0.48 H new ATOM 0 HB THR A 56 11.414 -0.821 0.439 1.00 0.58 H new ATOM 0 HG1 THR A 56 12.270 1.184 1.254 1.00 0.69 H new ATOM 0 HG21 THR A 56 13.681 -0.068 -0.248 1.00 0.69 H new ATOM 0 HG22 THR A 56 12.863 -0.927 -1.574 1.00 0.69 H new ATOM 0 HG23 THR A 56 12.966 0.849 -1.595 1.00 0.69 H new ATOM 836 N SER A 57 8.877 -1.488 -2.293 1.00 0.38 N ATOM 837 CA SER A 57 8.503 -2.839 -2.820 1.00 0.38 C ATOM 838 C SER A 57 7.586 -2.700 -4.039 1.00 0.35 C ATOM 839 O SER A 57 6.962 -1.676 -4.254 1.00 0.50 O ATOM 840 CB SER A 57 7.774 -3.637 -1.738 1.00 0.47 C ATOM 841 OG SER A 57 8.645 -4.634 -1.216 1.00 1.04 O ATOM 0 H SER A 57 8.172 -0.762 -2.426 1.00 0.38 H new ATOM 0 HA SER A 57 9.415 -3.360 -3.111 1.00 0.38 H new ATOM 0 HB2 SER A 57 7.446 -2.972 -0.940 1.00 0.47 H new ATOM 0 HB3 SER A 57 6.880 -4.102 -2.154 1.00 0.47 H new ATOM 0 HG SER A 57 8.179 -5.144 -0.521 1.00 1.04 H new ATOM 847 N ALA A 58 7.502 -3.742 -4.827 1.00 0.37 N ATOM 848 CA ALA A 58 6.630 -3.726 -6.039 1.00 0.38 C ATOM 849 C ALA A 58 5.989 -5.108 -6.212 1.00 0.35 C ATOM 850 O ALA A 58 6.379 -6.066 -5.567 1.00 0.37 O ATOM 851 CB ALA A 58 7.474 -3.389 -7.271 1.00 0.45 C ATOM 0 H ALA A 58 8.008 -4.615 -4.679 1.00 0.37 H new ATOM 0 HA ALA A 58 5.850 -2.973 -5.924 1.00 0.38 H new ATOM 0 HB1 ALA A 58 6.838 -3.377 -8.156 1.00 0.45 H new ATOM 0 HB2 ALA A 58 7.933 -2.409 -7.141 1.00 0.45 H new ATOM 0 HB3 ALA A 58 8.254 -4.141 -7.395 1.00 0.45 H new ATOM 857 N ILE A 59 5.010 -5.221 -7.076 1.00 0.35 N ATOM 858 CA ILE A 59 4.347 -6.541 -7.289 1.00 0.34 C ATOM 859 C ILE A 59 4.375 -6.886 -8.781 1.00 0.33 C ATOM 860 O ILE A 59 3.811 -6.184 -9.596 1.00 0.35 O ATOM 861 CB ILE A 59 2.897 -6.471 -6.780 1.00 0.35 C ATOM 862 CG1 ILE A 59 2.891 -6.669 -5.259 1.00 0.40 C ATOM 863 CG2 ILE A 59 2.051 -7.566 -7.441 1.00 0.37 C ATOM 864 CD1 ILE A 59 1.509 -6.328 -4.696 1.00 0.45 C ATOM 0 H ILE A 59 4.643 -4.456 -7.642 1.00 0.35 H new ATOM 0 HA ILE A 59 4.876 -7.318 -6.737 1.00 0.34 H new ATOM 0 HB ILE A 59 2.474 -5.499 -7.031 1.00 0.35 H new ATOM 0 HG12 ILE A 59 3.148 -7.700 -5.017 1.00 0.40 H new ATOM 0 HG13 ILE A 59 3.648 -6.035 -4.798 1.00 0.40 H new ATOM 0 HG21 ILE A 59 1.027 -7.506 -7.073 1.00 0.37 H new ATOM 0 HG22 ILE A 59 2.057 -7.427 -8.522 1.00 0.37 H new ATOM 0 HG23 ILE A 59 2.467 -8.544 -7.198 1.00 0.37 H new ATOM 0 HD11 ILE A 59 1.511 -6.471 -3.615 1.00 0.45 H new ATOM 0 HD12 ILE A 59 1.269 -5.290 -4.925 1.00 0.45 H new ATOM 0 HD13 ILE A 59 0.761 -6.981 -5.147 1.00 0.45 H new ATOM 876 N ILE A 60 5.024 -7.969 -9.138 1.00 0.33 N ATOM 877 CA ILE A 60 5.090 -8.371 -10.578 1.00 0.34 C ATOM 878 C ILE A 60 4.031 -9.447 -10.858 1.00 0.34 C ATOM 879 O ILE A 60 3.423 -9.982 -9.951 1.00 0.40 O ATOM 880 CB ILE A 60 6.485 -8.922 -10.911 1.00 0.36 C ATOM 881 CG1 ILE A 60 6.803 -10.129 -10.016 1.00 0.42 C ATOM 882 CG2 ILE A 60 7.538 -7.831 -10.690 1.00 0.38 C ATOM 883 CD1 ILE A 60 7.362 -11.269 -10.871 1.00 0.58 C ATOM 0 H ILE A 60 5.511 -8.592 -8.493 1.00 0.33 H new ATOM 0 HA ILE A 60 4.898 -7.497 -11.200 1.00 0.34 H new ATOM 0 HB ILE A 60 6.500 -9.237 -11.954 1.00 0.36 H new ATOM 0 HG12 ILE A 60 7.526 -9.847 -9.251 1.00 0.42 H new ATOM 0 HG13 ILE A 60 5.902 -10.458 -9.498 1.00 0.42 H new ATOM 0 HG21 ILE A 60 8.526 -8.226 -10.927 1.00 0.38 H new ATOM 0 HG22 ILE A 60 7.322 -6.981 -11.337 1.00 0.38 H new ATOM 0 HG23 ILE A 60 7.516 -7.510 -9.649 1.00 0.38 H new ATOM 0 HD11 ILE A 60 7.587 -12.125 -10.234 1.00 0.58 H new ATOM 0 HD12 ILE A 60 6.624 -11.558 -11.620 1.00 0.58 H new ATOM 0 HD13 ILE A 60 8.273 -10.937 -11.369 1.00 0.58 H new ATOM 895 N THR A 61 3.808 -9.760 -12.111 1.00 0.36 N ATOM 896 CA THR A 61 2.789 -10.801 -12.461 1.00 0.39 C ATOM 897 C THR A 61 3.478 -12.153 -12.679 1.00 0.43 C ATOM 898 O THR A 61 4.694 -12.241 -12.739 1.00 0.53 O ATOM 899 CB THR A 61 2.047 -10.392 -13.743 1.00 0.46 C ATOM 900 OG1 THR A 61 2.978 -10.239 -14.809 1.00 0.52 O ATOM 901 CG2 THR A 61 1.310 -9.072 -13.512 1.00 0.56 C ATOM 0 H THR A 61 4.287 -9.340 -12.907 1.00 0.36 H new ATOM 0 HA THR A 61 2.076 -10.888 -11.642 1.00 0.39 H new ATOM 0 HB THR A 61 1.326 -11.167 -14.003 1.00 0.46 H new ATOM 0 HG1 THR A 61 2.501 -9.980 -15.625 1.00 0.52 H new ATOM 0 HG21 THR A 61 0.785 -8.784 -14.423 1.00 0.56 H new ATOM 0 HG22 THR A 61 0.591 -9.194 -12.702 1.00 0.56 H new ATOM 0 HG23 THR A 61 2.028 -8.296 -13.247 1.00 0.56 H new ATOM 909 N ASN A 62 2.705 -13.206 -12.805 1.00 0.47 N ATOM 910 CA ASN A 62 3.297 -14.562 -13.030 1.00 0.53 C ATOM 911 C ASN A 62 3.960 -14.618 -14.417 1.00 0.59 C ATOM 912 O ASN A 62 4.859 -15.408 -14.645 1.00 0.70 O ATOM 913 CB ASN A 62 2.193 -15.622 -12.943 1.00 0.57 C ATOM 914 CG ASN A 62 2.285 -16.347 -11.596 1.00 0.66 C ATOM 915 OD1 ASN A 62 1.961 -15.713 -10.500 1.00 0.89 O flip ATOM 916 ND2 ASN A 62 2.656 -17.503 -11.540 1.00 0.71 N flip ATOM 0 H ASN A 62 1.686 -13.184 -12.761 1.00 0.47 H new ATOM 0 HA ASN A 62 4.050 -14.758 -12.266 1.00 0.53 H new ATOM 0 HB2 ASN A 62 1.215 -15.153 -13.049 1.00 0.57 H new ATOM 0 HB3 ASN A 62 2.295 -16.336 -13.760 1.00 0.57 H new ATOM 0 HD21 ASN A 62 2.909 -17.999 -12.394 1.00 0.71 H new ATOM 0 HD22 ASN A 62 2.714 -17.977 -10.639 1.00 0.71 H new ATOM 923 N ASP A 63 3.528 -13.781 -15.338 1.00 0.62 N ATOM 924 CA ASP A 63 4.133 -13.775 -16.707 1.00 0.75 C ATOM 925 C ASP A 63 5.446 -12.985 -16.680 1.00 0.76 C ATOM 926 O ASP A 63 6.484 -13.487 -17.074 1.00 0.99 O ATOM 927 CB ASP A 63 3.162 -13.118 -17.697 1.00 0.84 C ATOM 928 CG ASP A 63 1.886 -13.962 -17.811 1.00 1.07 C ATOM 929 OD1 ASP A 63 1.870 -14.870 -18.626 1.00 1.36 O ATOM 930 OD2 ASP A 63 0.946 -13.682 -17.084 1.00 1.22 O ATOM 0 H ASP A 63 2.780 -13.102 -15.196 1.00 0.62 H new ATOM 0 HA ASP A 63 4.330 -14.800 -17.020 1.00 0.75 H new ATOM 0 HB2 ASP A 63 2.914 -12.111 -17.363 1.00 0.84 H new ATOM 0 HB3 ASP A 63 3.634 -13.022 -18.675 1.00 0.84 H new ATOM 935 N GLY A 64 5.408 -11.757 -16.215 1.00 0.61 N ATOM 936 CA GLY A 64 6.652 -10.926 -16.155 1.00 0.63 C ATOM 937 C GLY A 64 6.301 -9.444 -16.331 1.00 0.62 C ATOM 938 O GLY A 64 6.814 -8.781 -17.214 1.00 0.72 O ATOM 0 H GLY A 64 4.565 -11.294 -15.874 1.00 0.61 H new ATOM 0 HA2 GLY A 64 7.155 -11.078 -15.200 1.00 0.63 H new ATOM 0 HA3 GLY A 64 7.346 -11.239 -16.935 1.00 0.63 H new ATOM 942 N VAL A 65 5.435 -8.923 -15.492 1.00 0.55 N ATOM 943 CA VAL A 65 5.042 -7.482 -15.592 1.00 0.56 C ATOM 944 C VAL A 65 5.163 -6.833 -14.208 1.00 0.50 C ATOM 945 O VAL A 65 4.508 -7.239 -13.267 1.00 0.53 O ATOM 946 CB VAL A 65 3.595 -7.372 -16.093 1.00 0.61 C ATOM 947 CG1 VAL A 65 3.216 -5.897 -16.258 1.00 0.71 C ATOM 948 CG2 VAL A 65 3.462 -8.084 -17.443 1.00 0.73 C ATOM 0 H VAL A 65 4.982 -9.439 -14.738 1.00 0.55 H new ATOM 0 HA VAL A 65 5.699 -6.971 -16.295 1.00 0.56 H new ATOM 0 HB VAL A 65 2.929 -7.839 -15.368 1.00 0.61 H new ATOM 0 HG11 VAL A 65 2.188 -5.823 -16.614 1.00 0.71 H new ATOM 0 HG12 VAL A 65 3.305 -5.389 -15.298 1.00 0.71 H new ATOM 0 HG13 VAL A 65 3.885 -5.428 -16.980 1.00 0.71 H new ATOM 0 HG21 VAL A 65 2.434 -8.005 -17.797 1.00 0.73 H new ATOM 0 HG22 VAL A 65 4.132 -7.619 -18.167 1.00 0.73 H new ATOM 0 HG23 VAL A 65 3.726 -9.135 -17.327 1.00 0.73 H new ATOM 958 N GLY A 66 6.005 -5.833 -14.083 1.00 0.50 N ATOM 959 CA GLY A 66 6.195 -5.149 -12.768 1.00 0.47 C ATOM 960 C GLY A 66 5.004 -4.233 -12.477 1.00 0.45 C ATOM 961 O GLY A 66 5.023 -3.057 -12.791 1.00 0.51 O ATOM 0 H GLY A 66 6.572 -5.460 -14.844 1.00 0.50 H new ATOM 0 HA2 GLY A 66 6.297 -5.890 -11.975 1.00 0.47 H new ATOM 0 HA3 GLY A 66 7.117 -4.567 -12.781 1.00 0.47 H new ATOM 965 N VAL A 67 3.975 -4.773 -11.872 1.00 0.40 N ATOM 966 CA VAL A 67 2.766 -3.955 -11.539 1.00 0.42 C ATOM 967 C VAL A 67 3.104 -2.986 -10.397 1.00 0.40 C ATOM 968 O VAL A 67 3.688 -3.369 -9.395 1.00 0.44 O ATOM 969 CB VAL A 67 1.617 -4.874 -11.101 1.00 0.44 C ATOM 970 CG1 VAL A 67 0.327 -4.060 -10.968 1.00 0.53 C ATOM 971 CG2 VAL A 67 1.416 -5.980 -12.142 1.00 0.51 C ATOM 0 H VAL A 67 3.920 -5.752 -11.592 1.00 0.40 H new ATOM 0 HA VAL A 67 2.461 -3.393 -12.422 1.00 0.42 H new ATOM 0 HB VAL A 67 1.864 -5.322 -10.138 1.00 0.44 H new ATOM 0 HG11 VAL A 67 -0.486 -4.716 -10.657 1.00 0.53 H new ATOM 0 HG12 VAL A 67 0.466 -3.276 -10.223 1.00 0.53 H new ATOM 0 HG13 VAL A 67 0.081 -3.608 -11.929 1.00 0.53 H new ATOM 0 HG21 VAL A 67 0.600 -6.631 -11.828 1.00 0.51 H new ATOM 0 HG22 VAL A 67 1.174 -5.533 -13.106 1.00 0.51 H new ATOM 0 HG23 VAL A 67 2.331 -6.565 -12.233 1.00 0.51 H new ATOM 981 N ASN A 68 2.740 -1.735 -10.547 1.00 0.42 N ATOM 982 CA ASN A 68 3.030 -0.724 -9.484 1.00 0.43 C ATOM 983 C ASN A 68 1.719 -0.292 -8.803 1.00 0.40 C ATOM 984 O ASN A 68 0.646 -0.488 -9.345 1.00 0.41 O ATOM 985 CB ASN A 68 3.703 0.497 -10.121 1.00 0.51 C ATOM 986 CG ASN A 68 5.152 0.155 -10.478 1.00 0.83 C ATOM 987 OD1 ASN A 68 6.009 0.105 -9.616 1.00 1.09 O ATOM 988 ND2 ASN A 68 5.468 -0.085 -11.723 1.00 1.12 N ATOM 0 H ASN A 68 2.252 -1.370 -11.365 1.00 0.42 H new ATOM 0 HA ASN A 68 3.692 -1.162 -8.737 1.00 0.43 H new ATOM 0 HB2 ASN A 68 3.159 0.800 -11.016 1.00 0.51 H new ATOM 0 HB3 ASN A 68 3.677 1.341 -9.431 1.00 0.51 H new ATOM 0 HD21 ASN A 68 6.431 -0.314 -11.970 1.00 1.12 H new ATOM 0 HD22 ASN A 68 4.752 -0.044 -12.448 1.00 1.12 H new ATOM 995 N PRO A 69 1.855 0.291 -7.629 1.00 0.42 N ATOM 996 CA PRO A 69 0.708 0.774 -6.835 1.00 0.46 C ATOM 997 C PRO A 69 0.199 2.110 -7.404 1.00 0.47 C ATOM 998 O PRO A 69 0.300 3.149 -6.777 1.00 0.55 O ATOM 999 CB PRO A 69 1.291 0.942 -5.426 1.00 0.56 C ATOM 1000 CG PRO A 69 2.820 1.099 -5.603 1.00 0.56 C ATOM 1001 CD PRO A 69 3.166 0.520 -6.987 1.00 0.48 C ATOM 0 HA PRO A 69 -0.148 0.100 -6.846 1.00 0.46 H new ATOM 0 HB2 PRO A 69 0.865 1.815 -4.931 1.00 0.56 H new ATOM 0 HB3 PRO A 69 1.059 0.078 -4.804 1.00 0.56 H new ATOM 0 HG2 PRO A 69 3.112 2.147 -5.538 1.00 0.56 H new ATOM 0 HG3 PRO A 69 3.357 0.569 -4.816 1.00 0.56 H new ATOM 0 HD2 PRO A 69 3.776 1.213 -7.566 1.00 0.48 H new ATOM 0 HD3 PRO A 69 3.733 -0.407 -6.899 1.00 0.48 H new ATOM 1009 N ALA A 70 -0.332 2.078 -8.602 1.00 0.48 N ATOM 1010 CA ALA A 70 -0.847 3.328 -9.245 1.00 0.56 C ATOM 1011 C ALA A 70 -2.258 3.094 -9.808 1.00 0.58 C ATOM 1012 O ALA A 70 -3.120 3.948 -9.703 1.00 0.87 O ATOM 1013 CB ALA A 70 0.096 3.738 -10.381 1.00 0.61 C ATOM 0 H ALA A 70 -0.431 1.234 -9.166 1.00 0.48 H new ATOM 0 HA ALA A 70 -0.893 4.121 -8.498 1.00 0.56 H new ATOM 0 HB1 ALA A 70 -0.276 4.648 -10.852 1.00 0.61 H new ATOM 0 HB2 ALA A 70 1.093 3.919 -9.979 1.00 0.61 H new ATOM 0 HB3 ALA A 70 0.143 2.939 -11.121 1.00 0.61 H new ATOM 1019 N GLN A 71 -2.496 1.949 -10.409 1.00 0.48 N ATOM 1020 CA GLN A 71 -3.847 1.655 -10.990 1.00 0.51 C ATOM 1021 C GLN A 71 -4.791 1.131 -9.895 1.00 0.45 C ATOM 1022 O GLN A 71 -4.344 0.707 -8.845 1.00 0.44 O ATOM 1023 CB GLN A 71 -3.704 0.594 -12.087 1.00 0.56 C ATOM 1024 CG GLN A 71 -2.955 1.186 -13.286 1.00 0.80 C ATOM 1025 CD GLN A 71 -1.483 0.765 -13.230 1.00 1.13 C ATOM 1026 OE1 GLN A 71 -0.637 1.528 -12.807 1.00 1.61 O ATOM 1027 NE2 GLN A 71 -1.139 -0.426 -13.640 1.00 1.21 N ATOM 0 H GLN A 71 -1.809 1.203 -10.522 1.00 0.48 H new ATOM 0 HA GLN A 71 -4.263 2.571 -11.410 1.00 0.51 H new ATOM 0 HB2 GLN A 71 -3.165 -0.271 -11.701 1.00 0.56 H new ATOM 0 HB3 GLN A 71 -4.688 0.244 -12.398 1.00 0.56 H new ATOM 0 HG2 GLN A 71 -3.407 0.842 -14.216 1.00 0.80 H new ATOM 0 HG3 GLN A 71 -3.034 2.273 -13.276 1.00 0.80 H new ATOM 0 HE21 GLN A 71 -1.848 -1.068 -13.995 1.00 1.21 H new ATOM 0 HE22 GLN A 71 -0.161 -0.715 -13.605 1.00 1.21 H new ATOM 1036 N PRO A 72 -6.077 1.172 -10.180 1.00 0.44 N ATOM 1037 CA PRO A 72 -7.120 0.702 -9.244 1.00 0.42 C ATOM 1038 C PRO A 72 -7.196 -0.832 -9.242 1.00 0.39 C ATOM 1039 O PRO A 72 -6.795 -1.484 -10.190 1.00 0.42 O ATOM 1040 CB PRO A 72 -8.408 1.317 -9.801 1.00 0.47 C ATOM 1041 CG PRO A 72 -8.138 1.618 -11.293 1.00 0.52 C ATOM 1042 CD PRO A 72 -6.609 1.690 -11.460 1.00 0.50 C ATOM 0 HA PRO A 72 -6.929 0.992 -8.211 1.00 0.42 H new ATOM 0 HB2 PRO A 72 -9.247 0.630 -9.689 1.00 0.47 H new ATOM 0 HB3 PRO A 72 -8.668 2.228 -9.262 1.00 0.47 H new ATOM 0 HG2 PRO A 72 -8.560 0.839 -11.928 1.00 0.52 H new ATOM 0 HG3 PRO A 72 -8.604 2.558 -11.589 1.00 0.52 H new ATOM 0 HD2 PRO A 72 -6.272 1.088 -12.304 1.00 0.50 H new ATOM 0 HD3 PRO A 72 -6.277 2.712 -11.645 1.00 0.50 H new ATOM 1050 N ALA A 73 -7.708 -1.409 -8.177 1.00 0.39 N ATOM 1051 CA ALA A 73 -7.818 -2.902 -8.087 1.00 0.39 C ATOM 1052 C ALA A 73 -8.598 -3.453 -9.290 1.00 0.39 C ATOM 1053 O ALA A 73 -8.247 -4.481 -9.839 1.00 0.43 O ATOM 1054 CB ALA A 73 -8.543 -3.281 -6.793 1.00 0.44 C ATOM 0 H ALA A 73 -8.056 -0.905 -7.361 1.00 0.39 H new ATOM 0 HA ALA A 73 -6.816 -3.331 -8.089 1.00 0.39 H new ATOM 0 HB1 ALA A 73 -8.624 -4.366 -6.726 1.00 0.44 H new ATOM 0 HB2 ALA A 73 -7.981 -2.905 -5.938 1.00 0.44 H new ATOM 0 HB3 ALA A 73 -9.541 -2.842 -6.793 1.00 0.44 H new ATOM 1060 N GLY A 74 -9.648 -2.777 -9.704 1.00 0.41 N ATOM 1061 CA GLY A 74 -10.452 -3.257 -10.873 1.00 0.45 C ATOM 1062 C GLY A 74 -9.561 -3.362 -12.117 1.00 0.46 C ATOM 1063 O GLY A 74 -9.583 -4.358 -12.817 1.00 0.52 O ATOM 0 H GLY A 74 -9.982 -1.911 -9.280 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -10.892 -4.229 -10.648 1.00 0.45 H new ATOM 0 HA3 GLY A 74 -11.277 -2.570 -11.064 1.00 0.45 H new ATOM 1067 N ASN A 75 -8.777 -2.342 -12.393 1.00 0.49 N ATOM 1068 CA ASN A 75 -7.877 -2.372 -13.591 1.00 0.55 C ATOM 1069 C ASN A 75 -6.772 -3.419 -13.392 1.00 0.52 C ATOM 1070 O ASN A 75 -6.403 -4.118 -14.319 1.00 0.58 O ATOM 1071 CB ASN A 75 -7.243 -0.990 -13.791 1.00 0.63 C ATOM 1072 CG ASN A 75 -7.420 -0.551 -15.248 1.00 1.12 C ATOM 1073 OD1 ASN A 75 -6.491 -0.613 -16.028 1.00 1.55 O ATOM 1074 ND2 ASN A 75 -8.581 -0.107 -15.650 1.00 1.60 N ATOM 0 H ASN A 75 -8.723 -1.488 -11.837 1.00 0.49 H new ATOM 0 HA ASN A 75 -8.464 -2.636 -14.471 1.00 0.55 H new ATOM 0 HB2 ASN A 75 -7.708 -0.265 -13.123 1.00 0.63 H new ATOM 0 HB3 ASN A 75 -6.184 -1.024 -13.537 1.00 0.63 H new ATOM 0 HD21 ASN A 75 -8.707 0.187 -16.618 1.00 1.60 H new ATOM 0 HD22 ASN A 75 -9.362 -0.055 -14.995 1.00 1.60 H new ATOM 1081 N ILE A 76 -6.246 -3.532 -12.191 1.00 0.48 N ATOM 1082 CA ILE A 76 -5.166 -4.535 -11.920 1.00 0.49 C ATOM 1083 C ILE A 76 -5.703 -5.949 -12.188 1.00 0.49 C ATOM 1084 O ILE A 76 -5.016 -6.783 -12.749 1.00 0.57 O ATOM 1085 CB ILE A 76 -4.714 -4.422 -10.453 1.00 0.49 C ATOM 1086 CG1 ILE A 76 -4.096 -3.035 -10.210 1.00 0.52 C ATOM 1087 CG2 ILE A 76 -3.682 -5.512 -10.134 1.00 0.56 C ATOM 1088 CD1 ILE A 76 -2.758 -2.914 -10.945 1.00 0.57 C ATOM 0 H ILE A 76 -6.521 -2.970 -11.386 1.00 0.48 H new ATOM 0 HA ILE A 76 -4.316 -4.340 -12.574 1.00 0.49 H new ATOM 0 HB ILE A 76 -5.579 -4.553 -9.803 1.00 0.49 H new ATOM 0 HG12 ILE A 76 -4.780 -2.259 -10.555 1.00 0.52 H new ATOM 0 HG13 ILE A 76 -3.948 -2.877 -9.142 1.00 0.52 H new ATOM 0 HG21 ILE A 76 -3.369 -5.423 -9.094 1.00 0.56 H new ATOM 0 HG22 ILE A 76 -4.127 -6.493 -10.296 1.00 0.56 H new ATOM 0 HG23 ILE A 76 -2.816 -5.395 -10.785 1.00 0.56 H new ATOM 0 HD11 ILE A 76 -2.332 -1.927 -10.764 1.00 0.57 H new ATOM 0 HD12 ILE A 76 -2.072 -3.678 -10.580 1.00 0.57 H new ATOM 0 HD13 ILE A 76 -2.917 -3.050 -12.015 1.00 0.57 H new ATOM 1100 N PHE A 77 -6.927 -6.216 -11.795 1.00 0.46 N ATOM 1101 CA PHE A 77 -7.526 -7.567 -12.024 1.00 0.50 C ATOM 1102 C PHE A 77 -7.867 -7.742 -13.513 1.00 0.56 C ATOM 1103 O PHE A 77 -7.722 -8.816 -14.065 1.00 0.70 O ATOM 1104 CB PHE A 77 -8.803 -7.700 -11.185 1.00 0.51 C ATOM 1105 CG PHE A 77 -9.148 -9.161 -11.007 1.00 0.54 C ATOM 1106 CD1 PHE A 77 -8.498 -9.921 -10.026 1.00 0.55 C ATOM 1107 CD2 PHE A 77 -10.120 -9.755 -11.822 1.00 0.89 C ATOM 1108 CE1 PHE A 77 -8.820 -11.274 -9.862 1.00 0.59 C ATOM 1109 CE2 PHE A 77 -10.441 -11.106 -11.656 1.00 0.97 C ATOM 1110 CZ PHE A 77 -9.790 -11.866 -10.676 1.00 0.69 C ATOM 0 H PHE A 77 -7.539 -5.550 -11.323 1.00 0.46 H new ATOM 0 HA PHE A 77 -6.811 -8.336 -11.731 1.00 0.50 H new ATOM 0 HB2 PHE A 77 -8.661 -7.229 -10.212 1.00 0.51 H new ATOM 0 HB3 PHE A 77 -9.626 -7.179 -11.674 1.00 0.51 H new ATOM 0 HD1 PHE A 77 -7.749 -9.464 -9.397 1.00 0.55 H new ATOM 0 HD2 PHE A 77 -10.622 -9.170 -12.579 1.00 0.89 H new ATOM 0 HE1 PHE A 77 -8.319 -11.860 -9.106 1.00 0.59 H new ATOM 0 HE2 PHE A 77 -11.191 -11.564 -12.284 1.00 0.97 H new ATOM 0 HZ PHE A 77 -10.038 -12.910 -10.549 1.00 0.69 H new ATOM 1120 N LEU A 78 -8.322 -6.693 -14.163 1.00 0.52 N ATOM 1121 CA LEU A 78 -8.684 -6.787 -15.615 1.00 0.61 C ATOM 1122 C LEU A 78 -7.428 -7.006 -16.473 1.00 0.67 C ATOM 1123 O LEU A 78 -7.458 -7.743 -17.442 1.00 0.78 O ATOM 1124 CB LEU A 78 -9.364 -5.485 -16.055 1.00 0.64 C ATOM 1125 CG LEU A 78 -10.811 -5.456 -15.555 1.00 0.67 C ATOM 1126 CD1 LEU A 78 -11.343 -4.022 -15.618 1.00 0.78 C ATOM 1127 CD2 LEU A 78 -11.681 -6.359 -16.436 1.00 0.84 C ATOM 0 H LEU A 78 -8.458 -5.772 -13.747 1.00 0.52 H new ATOM 0 HA LEU A 78 -9.360 -7.632 -15.750 1.00 0.61 H new ATOM 0 HB2 LEU A 78 -8.817 -4.628 -15.661 1.00 0.64 H new ATOM 0 HB3 LEU A 78 -9.344 -5.404 -17.142 1.00 0.64 H new ATOM 0 HG LEU A 78 -10.843 -5.815 -14.526 1.00 0.67 H new ATOM 0 HD11 LEU A 78 -12.373 -4.000 -15.262 1.00 0.78 H new ATOM 0 HD12 LEU A 78 -10.728 -3.378 -14.989 1.00 0.78 H new ATOM 0 HD13 LEU A 78 -11.307 -3.665 -16.647 1.00 0.78 H new ATOM 0 HD21 LEU A 78 -12.710 -6.336 -16.077 1.00 0.84 H new ATOM 0 HD22 LEU A 78 -11.648 -6.004 -17.466 1.00 0.84 H new ATOM 0 HD23 LEU A 78 -11.305 -7.381 -16.393 1.00 0.84 H new ATOM 1139 N LYS A 79 -6.338 -6.353 -16.140 1.00 0.66 N ATOM 1140 CA LYS A 79 -5.087 -6.497 -16.949 1.00 0.75 C ATOM 1141 C LYS A 79 -4.254 -7.689 -16.461 1.00 0.71 C ATOM 1142 O LYS A 79 -3.891 -8.556 -17.236 1.00 0.87 O ATOM 1143 CB LYS A 79 -4.252 -5.216 -16.824 1.00 0.79 C ATOM 1144 CG LYS A 79 -4.177 -4.515 -18.184 1.00 1.11 C ATOM 1145 CD LYS A 79 -4.946 -3.190 -18.128 1.00 1.34 C ATOM 1146 CE LYS A 79 -6.187 -3.275 -19.022 1.00 1.88 C ATOM 1147 NZ LYS A 79 -7.058 -2.086 -18.786 1.00 2.59 N ATOM 0 H LYS A 79 -6.262 -5.725 -15.340 1.00 0.66 H new ATOM 0 HA LYS A 79 -5.365 -6.667 -17.989 1.00 0.75 H new ATOM 0 HB2 LYS A 79 -4.698 -4.550 -16.085 1.00 0.79 H new ATOM 0 HB3 LYS A 79 -3.249 -5.457 -16.472 1.00 0.79 H new ATOM 0 HG2 LYS A 79 -3.137 -4.331 -18.452 1.00 1.11 H new ATOM 0 HG3 LYS A 79 -4.597 -5.157 -18.958 1.00 1.11 H new ATOM 0 HD2 LYS A 79 -5.240 -2.972 -17.101 1.00 1.34 H new ATOM 0 HD3 LYS A 79 -4.305 -2.372 -18.456 1.00 1.34 H new ATOM 0 HE2 LYS A 79 -5.890 -3.318 -20.070 1.00 1.88 H new ATOM 0 HE3 LYS A 79 -6.739 -4.190 -18.809 1.00 1.88 H new ATOM 0 HZ1 LYS A 79 -8.056 -2.375 -18.819 1.00 2.59 H new ATOM 0 HZ2 LYS A 79 -6.846 -1.680 -17.852 1.00 2.59 H new ATOM 0 HZ3 LYS A 79 -6.879 -1.373 -19.522 1.00 2.59 H new ATOM 1161 N HIS A 80 -3.930 -7.725 -15.190 1.00 0.59 N ATOM 1162 CA HIS A 80 -3.094 -8.845 -14.652 1.00 0.60 C ATOM 1163 C HIS A 80 -3.993 -9.987 -14.164 1.00 0.62 C ATOM 1164 O HIS A 80 -3.855 -11.116 -14.600 1.00 0.86 O ATOM 1165 CB HIS A 80 -2.234 -8.331 -13.490 1.00 0.59 C ATOM 1166 CG HIS A 80 -1.625 -7.003 -13.860 1.00 0.60 C ATOM 1167 ND1 HIS A 80 -0.685 -6.874 -14.871 1.00 0.70 N ATOM 1168 CD2 HIS A 80 -1.830 -5.736 -13.375 1.00 0.69 C ATOM 1169 CE1 HIS A 80 -0.366 -5.570 -14.963 1.00 0.75 C ATOM 1170 NE2 HIS A 80 -1.033 -4.832 -14.074 1.00 0.74 N ATOM 0 H HIS A 80 -4.209 -7.026 -14.501 1.00 0.59 H new ATOM 0 HA HIS A 80 -2.447 -9.219 -15.445 1.00 0.60 H new ATOM 0 HB2 HIS A 80 -2.843 -8.225 -12.592 1.00 0.59 H new ATOM 0 HB3 HIS A 80 -1.449 -9.051 -13.259 1.00 0.59 H new ATOM 0 HD2 HIS A 80 -2.506 -5.479 -12.573 1.00 0.69 H new ATOM 0 HE1 HIS A 80 0.344 -5.169 -15.671 1.00 0.75 H new ATOM 0 HE2 HIS A 80 -0.972 -3.823 -13.936 1.00 0.74 H new ATOM 1178 N GLY A 81 -4.906 -9.703 -13.266 1.00 0.56 N ATOM 1179 CA GLY A 81 -5.815 -10.771 -12.744 1.00 0.59 C ATOM 1180 C GLY A 81 -5.514 -11.032 -11.265 1.00 0.56 C ATOM 1181 O GLY A 81 -5.457 -10.115 -10.465 1.00 0.67 O ATOM 0 H GLY A 81 -5.061 -8.775 -12.872 1.00 0.56 H new ATOM 0 HA2 GLY A 81 -6.855 -10.467 -12.865 1.00 0.59 H new ATOM 0 HA3 GLY A 81 -5.682 -11.687 -13.319 1.00 0.59 H new ATOM 1185 N SER A 82 -5.329 -12.281 -10.899 1.00 0.58 N ATOM 1186 CA SER A 82 -5.039 -12.621 -9.469 1.00 0.55 C ATOM 1187 C SER A 82 -3.613 -13.173 -9.332 1.00 0.48 C ATOM 1188 O SER A 82 -2.914 -12.855 -8.388 1.00 0.50 O ATOM 1189 CB SER A 82 -6.043 -13.670 -8.982 1.00 0.62 C ATOM 1190 OG SER A 82 -6.342 -13.436 -7.610 1.00 0.77 O ATOM 0 H SER A 82 -5.367 -13.080 -11.532 1.00 0.58 H new ATOM 0 HA SER A 82 -5.127 -11.718 -8.865 1.00 0.55 H new ATOM 0 HB2 SER A 82 -6.954 -13.621 -9.578 1.00 0.62 H new ATOM 0 HB3 SER A 82 -5.631 -14.671 -9.110 1.00 0.62 H new ATOM 0 HG SER A 82 -6.733 -12.543 -7.508 1.00 0.77 H new ATOM 1196 N GLU A 83 -3.180 -14.004 -10.258 1.00 0.47 N ATOM 1197 CA GLU A 83 -1.801 -14.588 -10.178 1.00 0.45 C ATOM 1198 C GLU A 83 -0.751 -13.468 -10.206 1.00 0.43 C ATOM 1199 O GLU A 83 -0.463 -12.895 -11.243 1.00 0.50 O ATOM 1200 CB GLU A 83 -1.579 -15.540 -11.360 1.00 0.51 C ATOM 1201 CG GLU A 83 -2.031 -16.952 -10.971 1.00 0.61 C ATOM 1202 CD GLU A 83 -0.897 -17.671 -10.229 1.00 0.76 C ATOM 1203 OE1 GLU A 83 -0.777 -17.472 -9.030 1.00 0.90 O ATOM 1204 OE2 GLU A 83 -0.169 -18.410 -10.873 1.00 1.02 O ATOM 0 H GLU A 83 -3.726 -14.302 -11.067 1.00 0.47 H new ATOM 0 HA GLU A 83 -1.700 -15.141 -9.244 1.00 0.45 H new ATOM 0 HB2 GLU A 83 -2.138 -15.194 -12.229 1.00 0.51 H new ATOM 0 HB3 GLU A 83 -0.526 -15.548 -11.641 1.00 0.51 H new ATOM 0 HG2 GLU A 83 -2.917 -16.899 -10.338 1.00 0.61 H new ATOM 0 HG3 GLU A 83 -2.309 -17.514 -11.863 1.00 0.61 H new ATOM 1211 N LEU A 84 -0.186 -13.153 -9.061 1.00 0.41 N ATOM 1212 CA LEU A 84 0.846 -12.069 -8.980 1.00 0.42 C ATOM 1213 C LEU A 84 1.980 -12.492 -8.029 1.00 0.37 C ATOM 1214 O LEU A 84 1.916 -13.527 -7.387 1.00 0.39 O ATOM 1215 CB LEU A 84 0.190 -10.786 -8.455 1.00 0.48 C ATOM 1216 CG LEU A 84 -0.656 -10.145 -9.563 1.00 0.62 C ATOM 1217 CD1 LEU A 84 -1.996 -9.678 -8.987 1.00 0.86 C ATOM 1218 CD2 LEU A 84 0.095 -8.945 -10.150 1.00 0.67 C ATOM 0 H LEU A 84 -0.399 -13.606 -8.172 1.00 0.41 H new ATOM 0 HA LEU A 84 1.262 -11.892 -9.972 1.00 0.42 H new ATOM 0 HB2 LEU A 84 -0.436 -11.013 -7.592 1.00 0.48 H new ATOM 0 HB3 LEU A 84 0.955 -10.087 -8.118 1.00 0.48 H new ATOM 0 HG LEU A 84 -0.838 -10.880 -10.347 1.00 0.62 H new ATOM 0 HD11 LEU A 84 -2.593 -9.224 -9.777 1.00 0.86 H new ATOM 0 HD12 LEU A 84 -2.532 -10.532 -8.573 1.00 0.86 H new ATOM 0 HD13 LEU A 84 -1.818 -8.945 -8.200 1.00 0.86 H new ATOM 0 HD21 LEU A 84 -0.506 -8.489 -10.937 1.00 0.67 H new ATOM 0 HD22 LEU A 84 0.280 -8.212 -9.365 1.00 0.67 H new ATOM 0 HD23 LEU A 84 1.046 -9.279 -10.566 1.00 0.67 H new ATOM 1230 N ARG A 85 3.018 -11.694 -7.945 1.00 0.39 N ATOM 1231 CA ARG A 85 4.174 -12.023 -7.050 1.00 0.39 C ATOM 1232 C ARG A 85 4.703 -10.740 -6.388 1.00 0.37 C ATOM 1233 O ARG A 85 4.563 -9.655 -6.922 1.00 0.40 O ATOM 1234 CB ARG A 85 5.291 -12.661 -7.883 1.00 0.44 C ATOM 1235 CG ARG A 85 5.068 -14.175 -7.978 1.00 0.66 C ATOM 1236 CD ARG A 85 5.142 -14.617 -9.443 1.00 0.80 C ATOM 1237 NE ARG A 85 6.295 -15.545 -9.630 1.00 1.22 N ATOM 1238 CZ ARG A 85 6.100 -16.736 -10.131 1.00 1.29 C ATOM 1239 NH1 ARG A 85 5.718 -17.719 -9.354 1.00 1.90 N ATOM 1240 NH2 ARG A 85 6.294 -16.946 -11.409 1.00 1.49 N ATOM 0 H ARG A 85 3.115 -10.821 -8.463 1.00 0.39 H new ATOM 0 HA ARG A 85 3.846 -12.717 -6.277 1.00 0.39 H new ATOM 0 HB2 ARG A 85 5.308 -12.223 -8.881 1.00 0.44 H new ATOM 0 HB3 ARG A 85 6.260 -12.455 -7.428 1.00 0.44 H new ATOM 0 HG2 ARG A 85 5.821 -14.701 -7.391 1.00 0.66 H new ATOM 0 HG3 ARG A 85 4.097 -14.436 -7.558 1.00 0.66 H new ATOM 0 HD2 ARG A 85 4.214 -15.111 -9.731 1.00 0.80 H new ATOM 0 HD3 ARG A 85 5.254 -13.747 -10.090 1.00 0.80 H new ATOM 0 HE ARG A 85 7.235 -15.250 -9.367 1.00 1.22 H new ATOM 0 HH11 ARG A 85 5.573 -17.555 -8.358 1.00 1.90 H new ATOM 0 HH12 ARG A 85 5.566 -18.649 -9.745 1.00 1.90 H new ATOM 0 HH21 ARG A 85 6.597 -16.181 -12.011 1.00 1.49 H new ATOM 0 HH22 ARG A 85 6.142 -17.875 -11.802 1.00 1.49 H new ATOM 1254 N LEU A 86 5.313 -10.860 -5.228 1.00 0.43 N ATOM 1255 CA LEU A 86 5.854 -9.653 -4.525 1.00 0.43 C ATOM 1256 C LEU A 86 7.380 -9.606 -4.664 1.00 0.44 C ATOM 1257 O LEU A 86 8.075 -10.548 -4.321 1.00 0.63 O ATOM 1258 CB LEU A 86 5.484 -9.705 -3.038 1.00 0.56 C ATOM 1259 CG LEU A 86 5.552 -8.291 -2.443 1.00 0.65 C ATOM 1260 CD1 LEU A 86 4.152 -7.843 -2.011 1.00 0.73 C ATOM 1261 CD2 LEU A 86 6.487 -8.288 -1.231 1.00 0.77 C ATOM 0 H LEU A 86 5.458 -11.744 -4.740 1.00 0.43 H new ATOM 0 HA LEU A 86 5.421 -8.761 -4.977 1.00 0.43 H new ATOM 0 HB2 LEU A 86 4.481 -10.114 -2.916 1.00 0.56 H new ATOM 0 HB3 LEU A 86 6.166 -10.368 -2.506 1.00 0.56 H new ATOM 0 HG LEU A 86 5.934 -7.603 -3.197 1.00 0.65 H new ATOM 0 HD11 LEU A 86 4.205 -6.839 -1.589 1.00 0.73 H new ATOM 0 HD12 LEU A 86 3.488 -7.839 -2.876 1.00 0.73 H new ATOM 0 HD13 LEU A 86 3.765 -8.532 -1.260 1.00 0.73 H new ATOM 0 HD21 LEU A 86 6.534 -7.284 -0.810 1.00 0.77 H new ATOM 0 HD22 LEU A 86 6.109 -8.980 -0.478 1.00 0.77 H new ATOM 0 HD23 LEU A 86 7.485 -8.599 -1.541 1.00 0.77 H new ATOM 1273 N ILE A 87 7.902 -8.508 -5.157 1.00 0.42 N ATOM 1274 CA ILE A 87 9.383 -8.367 -5.318 1.00 0.48 C ATOM 1275 C ILE A 87 9.861 -7.122 -4.545 1.00 0.46 C ATOM 1276 O ILE A 87 9.290 -6.055 -4.681 1.00 0.42 O ATOM 1277 CB ILE A 87 9.730 -8.237 -6.812 1.00 0.55 C ATOM 1278 CG1 ILE A 87 11.245 -8.053 -6.978 1.00 0.70 C ATOM 1279 CG2 ILE A 87 9.002 -7.033 -7.425 1.00 0.54 C ATOM 1280 CD1 ILE A 87 11.654 -8.402 -8.412 1.00 0.71 C ATOM 0 H ILE A 87 7.360 -7.697 -5.457 1.00 0.42 H new ATOM 0 HA ILE A 87 9.885 -9.248 -4.919 1.00 0.48 H new ATOM 0 HB ILE A 87 9.412 -9.145 -7.325 1.00 0.55 H new ATOM 0 HG12 ILE A 87 11.523 -7.024 -6.751 1.00 0.70 H new ATOM 0 HG13 ILE A 87 11.778 -8.690 -6.272 1.00 0.70 H new ATOM 0 HG21 ILE A 87 9.257 -6.953 -8.482 1.00 0.54 H new ATOM 0 HG22 ILE A 87 7.925 -7.167 -7.320 1.00 0.54 H new ATOM 0 HG23 ILE A 87 9.306 -6.122 -6.909 1.00 0.54 H new ATOM 0 HD11 ILE A 87 12.730 -8.270 -8.526 1.00 0.71 H new ATOM 0 HD12 ILE A 87 11.391 -9.439 -8.623 1.00 0.71 H new ATOM 0 HD13 ILE A 87 11.132 -7.746 -9.109 1.00 0.71 H new ATOM 1292 N PRO A 88 10.897 -7.299 -3.751 1.00 0.56 N ATOM 1293 CA PRO A 88 11.475 -6.207 -2.938 1.00 0.58 C ATOM 1294 C PRO A 88 12.288 -5.245 -3.818 1.00 0.55 C ATOM 1295 O PRO A 88 13.202 -5.646 -4.518 1.00 0.74 O ATOM 1296 CB PRO A 88 12.369 -6.940 -1.930 1.00 0.77 C ATOM 1297 CG PRO A 88 12.693 -8.317 -2.555 1.00 0.86 C ATOM 1298 CD PRO A 88 11.588 -8.599 -3.591 1.00 0.72 C ATOM 0 HA PRO A 88 10.720 -5.589 -2.451 1.00 0.58 H new ATOM 0 HB2 PRO A 88 13.282 -6.376 -1.738 1.00 0.77 H new ATOM 0 HB3 PRO A 88 11.860 -7.058 -0.973 1.00 0.77 H new ATOM 0 HG2 PRO A 88 13.675 -8.307 -3.028 1.00 0.86 H new ATOM 0 HG3 PRO A 88 12.716 -9.094 -1.791 1.00 0.86 H new ATOM 0 HD2 PRO A 88 12.007 -8.946 -4.536 1.00 0.72 H new ATOM 0 HD3 PRO A 88 10.904 -9.373 -3.243 1.00 0.72 H new