USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 613 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 926 THR OG1 : rot -90:sc= -0.926 USER MOD Single : A 929 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 931 GLN :FLIP amide:sc= -0.0756 F(o=-0.72,f=-0.076) USER MOD Single : A 932 ASN : amide:sc= 0.096 X(o=0.096,f=-0.092) USER MOD Single : A 933 MET CE :methyl 149:sc= -2.54! (180deg=-2.75!) USER MOD Single : A 936 THR OG1 : rot 180:sc= 0 USER MOD Single : A 938 SER OG : rot 12:sc= 0.49 USER MOD Single : A 947 TYR OH : rot 180:sc= 0 USER MOD Single : A 949 TYR OH : rot 130:sc= -0.248 USER MOD Single : A 950 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.9!) USER MOD Single : A 955 SER OG : rot -89:sc= 0.946 USER MOD Single : A 957 CYS SG : rot 180:sc= 0 USER MOD Single : A 959 LYS NZ :NH3+ 138:sc= 0.323 (180deg=0) USER MOD Single : A 960 TYR OH : rot 180:sc= 0 USER MOD Single : A 961 ASN :FLIP amide:sc= -3.98! C(o=-5!,f=-4!) USER MOD Single : A 963 LYS NZ :NH3+ -156:sc= -0.345 (180deg=-1.53) USER MOD Single : A 965 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 967 THR OG1 : rot 180:sc= -0.813 USER MOD Single : A 971 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 976 SER OG : rot 180:sc= 0 USER MOD Single : A 981 THR OG1 : rot 180:sc= 0 USER MOD Single : A 988 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 994 SER OG : rot -40:sc= 0.269 USER MOD Single : A 996 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 998 LYS NZ :NH3+ 161:sc= -0.0364 (180deg=-0.268) USER MOD ----------------------------------------------------------------- ATOM 148 N PRO A 925 -3.915 12.753 7.633 1.00 0.00 N ATOM 149 CA PRO A 925 -3.462 12.827 6.241 1.00 0.00 C ATOM 150 C PRO A 925 -3.363 11.451 5.589 1.00 0.00 C ATOM 151 O PRO A 925 -3.460 10.425 6.263 1.00 0.00 O ATOM 152 CB PRO A 925 -2.075 13.466 6.352 1.00 0.00 C ATOM 153 CG PRO A 925 -1.611 13.126 7.726 1.00 0.00 C ATOM 154 CD PRO A 925 -2.845 13.096 8.585 1.00 0.00 C ATOM 0 HA PRO A 925 -4.157 13.389 5.616 1.00 0.00 H new ATOM 0 HB2 PRO A 925 -1.396 13.072 5.596 1.00 0.00 H new ATOM 0 HB3 PRO A 925 -2.123 14.545 6.206 1.00 0.00 H new ATOM 0 HG2 PRO A 925 -1.103 12.162 7.739 1.00 0.00 H new ATOM 0 HG3 PRO A 925 -0.899 13.866 8.092 1.00 0.00 H new ATOM 0 HD2 PRO A 925 -2.763 12.356 9.381 1.00 0.00 H new ATOM 0 HD3 PRO A 925 -3.026 14.059 9.063 1.00 0.00 H new ATOM 162 N THR A 926 -3.169 11.437 4.274 1.00 0.00 N ATOM 163 CA THR A 926 -3.058 10.187 3.532 1.00 0.00 C ATOM 164 C THR A 926 -1.600 9.772 3.369 1.00 0.00 C ATOM 165 O THR A 926 -0.812 10.477 2.738 1.00 0.00 O ATOM 166 CB THR A 926 -3.706 10.302 2.139 1.00 0.00 C ATOM 167 OG1 THR A 926 -5.058 10.755 2.264 1.00 0.00 O ATOM 168 CG2 THR A 926 -3.679 8.963 1.418 1.00 0.00 C ATOM 0 H THR A 926 -3.086 12.277 3.701 1.00 0.00 H new ATOM 0 HA THR A 926 -3.586 9.428 4.109 1.00 0.00 H new ATOM 0 HB THR A 926 -3.134 11.023 1.555 1.00 0.00 H new ATOM 0 HG1 THR A 926 -5.655 9.983 2.352 1.00 0.00 H new ATOM 0 HG21 THR A 926 -4.142 9.069 0.437 1.00 0.00 H new ATOM 0 HG22 THR A 926 -2.646 8.635 1.299 1.00 0.00 H new ATOM 0 HG23 THR A 926 -4.229 8.225 2.001 1.00 0.00 H new ATOM 176 N ILE A 927 -1.249 8.626 3.941 1.00 0.00 N ATOM 177 CA ILE A 927 0.114 8.117 3.857 1.00 0.00 C ATOM 178 C ILE A 927 0.286 7.200 2.650 1.00 0.00 C ATOM 179 O ILE A 927 -0.453 6.228 2.487 1.00 0.00 O ATOM 180 CB ILE A 927 0.507 7.347 5.132 1.00 0.00 C ATOM 181 CG1 ILE A 927 0.433 8.267 6.352 1.00 0.00 C ATOM 182 CG2 ILE A 927 1.904 6.761 4.987 1.00 0.00 C ATOM 183 CD1 ILE A 927 1.158 9.581 6.163 1.00 0.00 C ATOM 0 H ILE A 927 -1.890 8.032 4.468 1.00 0.00 H new ATOM 0 HA ILE A 927 0.767 8.983 3.749 1.00 0.00 H new ATOM 0 HB ILE A 927 -0.197 6.527 5.276 1.00 0.00 H new ATOM 0 HG12 ILE A 927 -0.613 8.468 6.582 1.00 0.00 H new ATOM 0 HG13 ILE A 927 0.855 7.749 7.213 1.00 0.00 H new ATOM 0 HG21 ILE A 927 2.168 6.220 5.896 1.00 0.00 H new ATOM 0 HG22 ILE A 927 1.925 6.077 4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 927 2.621 7.566 4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 927 1.063 10.182 7.067 1.00 0.00 H new ATOM 0 HD12 ILE A 927 2.212 9.389 5.963 1.00 0.00 H new ATOM 0 HD13 ILE A 927 0.721 10.120 5.322 1.00 0.00 H new ATOM 195 N ILE A 928 1.265 7.516 1.809 1.00 0.00 N ATOM 196 CA ILE A 928 1.535 6.719 0.619 1.00 0.00 C ATOM 197 C ILE A 928 2.787 5.867 0.800 1.00 0.00 C ATOM 198 O ILE A 928 3.726 6.263 1.492 1.00 0.00 O ATOM 199 CB ILE A 928 1.708 7.608 -0.626 1.00 0.00 C ATOM 200 CG1 ILE A 928 0.427 8.400 -0.897 1.00 0.00 C ATOM 201 CG2 ILE A 928 2.079 6.761 -1.835 1.00 0.00 C ATOM 202 CD1 ILE A 928 0.576 9.434 -1.991 1.00 0.00 C ATOM 0 H ILE A 928 1.884 8.318 1.930 1.00 0.00 H new ATOM 0 HA ILE A 928 0.673 6.067 0.473 1.00 0.00 H new ATOM 0 HB ILE A 928 2.517 8.314 -0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 928 -0.369 7.706 -1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 928 0.116 8.897 0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 928 2.198 7.404 -2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 928 3.015 6.238 -1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 928 1.290 6.033 -2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 928 -0.370 9.957 -2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 928 1.349 10.150 -1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 928 0.857 8.941 -2.922 1.00 0.00 H new ATOM 214 N LYS A 929 2.795 4.696 0.173 1.00 0.00 N ATOM 215 CA LYS A 929 3.932 3.788 0.261 1.00 0.00 C ATOM 216 C LYS A 929 4.653 3.687 -1.080 1.00 0.00 C ATOM 217 O LYS A 929 4.025 3.485 -2.120 1.00 0.00 O ATOM 218 CB LYS A 929 3.469 2.400 0.709 1.00 0.00 C ATOM 219 CG LYS A 929 3.456 2.221 2.218 1.00 0.00 C ATOM 220 CD LYS A 929 3.154 0.784 2.606 1.00 0.00 C ATOM 221 CE LYS A 929 1.673 0.468 2.466 1.00 0.00 C ATOM 222 NZ LYS A 929 1.304 -0.788 3.176 1.00 0.00 N ATOM 0 H LYS A 929 2.026 4.353 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 929 4.628 4.188 0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 929 2.467 2.218 0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 929 4.123 1.648 0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 929 4.422 2.514 2.628 1.00 0.00 H new ATOM 0 HG3 LYS A 929 2.709 2.882 2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 929 3.732 0.107 1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 929 3.468 0.610 3.635 1.00 0.00 H new ATOM 0 HE2 LYS A 929 1.086 1.296 2.864 1.00 0.00 H new ATOM 0 HE3 LYS A 929 1.420 0.376 1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 0.287 -0.968 3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 1.845 -1.583 2.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 1.522 -0.691 4.188 1.00 0.00 H new ATOM 236 N VAL A 930 5.974 3.826 -1.048 1.00 0.00 N ATOM 237 CA VAL A 930 6.780 3.748 -2.261 1.00 0.00 C ATOM 238 C VAL A 930 7.649 2.494 -2.263 1.00 0.00 C ATOM 239 O VAL A 930 8.416 2.258 -1.330 1.00 0.00 O ATOM 240 CB VAL A 930 7.684 4.985 -2.415 1.00 0.00 C ATOM 241 CG1 VAL A 930 8.431 4.939 -3.739 1.00 0.00 C ATOM 242 CG2 VAL A 930 6.863 6.261 -2.301 1.00 0.00 C ATOM 0 H VAL A 930 6.509 3.993 -0.196 1.00 0.00 H new ATOM 0 HA VAL A 930 6.086 3.708 -3.100 1.00 0.00 H new ATOM 0 HB VAL A 930 8.419 4.979 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 930 9.065 5.821 -3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 930 9.050 4.042 -3.777 1.00 0.00 H new ATOM 0 HG13 VAL A 930 7.715 4.920 -4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 930 7.517 7.126 -2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 930 6.105 6.277 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 930 6.378 6.296 -1.325 1.00 0.00 H new ATOM 252 N GLN A 931 7.522 1.695 -3.318 1.00 0.00 N ATOM 253 CA GLN A 931 8.296 0.466 -3.441 1.00 0.00 C ATOM 254 C GLN A 931 8.954 0.372 -4.814 1.00 0.00 C ATOM 255 O GLN A 931 8.674 1.175 -5.703 1.00 0.00 O ATOM 256 CB GLN A 931 7.400 -0.751 -3.207 1.00 0.00 C ATOM 257 CG GLN A 931 8.057 -1.840 -2.374 1.00 0.00 C ATOM 258 CD GLN A 931 7.293 -2.140 -1.099 1.00 0.00 C ATOM 259 OE1 GLN A 931 7.161 -1.138 -0.238 1.00 0.00 O flip ATOM 260 NE2 GLN A 931 6.828 -3.261 -0.890 1.00 0.00 N flip ATOM 0 H GLN A 931 6.891 1.877 -4.099 1.00 0.00 H new ATOM 0 HA GLN A 931 9.080 0.482 -2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 931 6.485 -0.428 -2.711 1.00 0.00 H new ATOM 0 HB3 GLN A 931 7.109 -1.168 -4.171 1.00 0.00 H new ATOM 0 HG2 GLN A 931 8.135 -2.750 -2.969 1.00 0.00 H new ATOM 0 HG3 GLN A 931 9.073 -1.536 -2.121 1.00 0.00 H new ATOM 0 HE21 GLN A 931 6.953 -4.002 -1.580 1.00 0.00 H new ATOM 0 HE22 GLN A 931 6.317 -3.449 -0.027 1.00 0.00 H new ATOM 269 N ASN A 932 9.829 -0.615 -4.979 1.00 0.00 N ATOM 270 CA ASN A 932 10.527 -0.814 -6.244 1.00 0.00 C ATOM 271 C ASN A 932 11.407 0.388 -6.574 1.00 0.00 C ATOM 272 O ASN A 932 11.383 0.899 -7.693 1.00 0.00 O ATOM 273 CB ASN A 932 9.522 -1.049 -7.373 1.00 0.00 C ATOM 274 CG ASN A 932 10.084 -1.929 -8.473 1.00 0.00 C ATOM 275 OD1 ASN A 932 9.500 -2.955 -8.822 1.00 0.00 O ATOM 276 ND2 ASN A 932 11.224 -1.530 -9.025 1.00 0.00 N ATOM 0 H ASN A 932 10.071 -1.289 -4.253 1.00 0.00 H new ATOM 0 HA ASN A 932 11.164 -1.693 -6.145 1.00 0.00 H new ATOM 0 HB2 ASN A 932 8.623 -1.511 -6.965 1.00 0.00 H new ATOM 0 HB3 ASN A 932 9.223 -0.090 -7.796 1.00 0.00 H new ATOM 0 HD21 ASN A 932 11.650 -2.081 -9.770 1.00 0.00 H new ATOM 0 HD22 ASN A 932 11.673 -0.672 -8.704 1.00 0.00 H new ATOM 283 N MET A 933 12.184 0.832 -5.591 1.00 0.00 N ATOM 284 CA MET A 933 13.074 1.972 -5.778 1.00 0.00 C ATOM 285 C MET A 933 14.535 1.533 -5.748 1.00 0.00 C ATOM 286 O MET A 933 14.995 0.889 -4.805 1.00 0.00 O ATOM 287 CB MET A 933 12.824 3.024 -4.695 1.00 0.00 C ATOM 288 CG MET A 933 11.773 4.053 -5.079 1.00 0.00 C ATOM 289 SD MET A 933 11.841 5.533 -4.052 1.00 0.00 S ATOM 290 CE MET A 933 11.852 4.808 -2.414 1.00 0.00 C ATOM 0 H MET A 933 12.215 0.420 -4.658 1.00 0.00 H new ATOM 0 HA MET A 933 12.864 2.408 -6.755 1.00 0.00 H new ATOM 0 HB2 MET A 933 12.513 2.523 -3.778 1.00 0.00 H new ATOM 0 HB3 MET A 933 13.760 3.537 -4.475 1.00 0.00 H new ATOM 0 HG2 MET A 933 11.910 4.334 -6.123 1.00 0.00 H new ATOM 0 HG3 MET A 933 10.783 3.604 -4.997 1.00 0.00 H new ATOM 0 HE1 MET A 933 12.416 5.449 -1.736 1.00 0.00 H new ATOM 0 HE2 MET A 933 10.828 4.709 -2.053 1.00 0.00 H new ATOM 0 HE3 MET A 933 12.319 3.824 -2.455 1.00 0.00 H new ATOM 300 N PRO A 934 15.282 1.887 -6.804 1.00 0.00 N ATOM 301 CA PRO A 934 16.701 1.540 -6.921 1.00 0.00 C ATOM 302 C PRO A 934 17.569 2.303 -5.927 1.00 0.00 C ATOM 303 O PRO A 934 17.170 3.348 -5.413 1.00 0.00 O ATOM 304 CB PRO A 934 17.048 1.946 -8.356 1.00 0.00 C ATOM 305 CG PRO A 934 16.063 3.011 -8.697 1.00 0.00 C ATOM 306 CD PRO A 934 14.799 2.655 -7.964 1.00 0.00 C ATOM 0 HA PRO A 934 16.882 0.487 -6.705 1.00 0.00 H new ATOM 0 HB2 PRO A 934 18.071 2.316 -8.426 1.00 0.00 H new ATOM 0 HB3 PRO A 934 16.967 1.099 -9.038 1.00 0.00 H new ATOM 0 HG2 PRO A 934 16.428 3.992 -8.393 1.00 0.00 H new ATOM 0 HG3 PRO A 934 15.892 3.054 -9.773 1.00 0.00 H new ATOM 0 HD2 PRO A 934 14.249 3.544 -7.656 1.00 0.00 H new ATOM 0 HD3 PRO A 934 14.127 2.064 -8.586 1.00 0.00 H new ATOM 314 N PHE A 935 18.759 1.773 -5.659 1.00 0.00 N ATOM 315 CA PHE A 935 19.684 2.405 -4.725 1.00 0.00 C ATOM 316 C PHE A 935 19.995 3.836 -5.152 1.00 0.00 C ATOM 317 O PHE A 935 20.215 4.713 -4.315 1.00 0.00 O ATOM 318 CB PHE A 935 20.978 1.595 -4.630 1.00 0.00 C ATOM 319 CG PHE A 935 20.756 0.110 -4.604 1.00 0.00 C ATOM 320 CD1 PHE A 935 19.974 -0.469 -3.617 1.00 0.00 C ATOM 321 CD2 PHE A 935 21.329 -0.707 -5.565 1.00 0.00 C ATOM 322 CE1 PHE A 935 19.768 -1.835 -3.590 1.00 0.00 C ATOM 323 CE2 PHE A 935 21.127 -2.074 -5.543 1.00 0.00 C ATOM 324 CZ PHE A 935 20.344 -2.639 -4.555 1.00 0.00 C ATOM 0 H PHE A 935 19.105 0.908 -6.075 1.00 0.00 H new ATOM 0 HA PHE A 935 19.209 2.433 -3.744 1.00 0.00 H new ATOM 0 HB2 PHE A 935 21.616 1.844 -5.478 1.00 0.00 H new ATOM 0 HB3 PHE A 935 21.516 1.890 -3.729 1.00 0.00 H new ATOM 0 HD1 PHE A 935 19.521 0.154 -2.861 1.00 0.00 H new ATOM 0 HD2 PHE A 935 21.941 -0.270 -6.341 1.00 0.00 H new ATOM 0 HE1 PHE A 935 19.157 -2.274 -2.815 1.00 0.00 H new ATOM 0 HE2 PHE A 935 21.581 -2.700 -6.297 1.00 0.00 H new ATOM 0 HZ PHE A 935 20.182 -3.707 -4.537 1.00 0.00 H new ATOM 334 N THR A 936 20.014 4.066 -6.461 1.00 0.00 N ATOM 335 CA THR A 936 20.300 5.389 -7.001 1.00 0.00 C ATOM 336 C THR A 936 19.357 6.436 -6.420 1.00 0.00 C ATOM 337 O THR A 936 19.724 7.601 -6.267 1.00 0.00 O ATOM 338 CB THR A 936 20.185 5.406 -8.537 1.00 0.00 C ATOM 339 OG1 THR A 936 18.876 4.983 -8.935 1.00 0.00 O ATOM 340 CG2 THR A 936 21.230 4.500 -9.169 1.00 0.00 C ATOM 0 H THR A 936 19.835 3.352 -7.167 1.00 0.00 H new ATOM 0 HA THR A 936 21.325 5.631 -6.718 1.00 0.00 H new ATOM 0 HB THR A 936 20.357 6.426 -8.880 1.00 0.00 H new ATOM 0 HG1 THR A 936 18.810 4.998 -9.913 1.00 0.00 H new ATOM 0 HG21 THR A 936 21.128 4.529 -10.254 1.00 0.00 H new ATOM 0 HG22 THR A 936 22.226 4.843 -8.888 1.00 0.00 H new ATOM 0 HG23 THR A 936 21.086 3.478 -8.818 1.00 0.00 H new ATOM 348 N VAL A 937 18.139 6.014 -6.097 1.00 0.00 N ATOM 349 CA VAL A 937 17.142 6.915 -5.531 1.00 0.00 C ATOM 350 C VAL A 937 17.728 7.731 -4.384 1.00 0.00 C ATOM 351 O VAL A 937 18.569 7.245 -3.628 1.00 0.00 O ATOM 352 CB VAL A 937 15.912 6.142 -5.020 1.00 0.00 C ATOM 353 CG1 VAL A 937 14.951 7.080 -4.304 1.00 0.00 C ATOM 354 CG2 VAL A 937 15.217 5.428 -6.169 1.00 0.00 C ATOM 0 H VAL A 937 17.819 5.053 -6.218 1.00 0.00 H new ATOM 0 HA VAL A 937 16.832 7.587 -6.331 1.00 0.00 H new ATOM 0 HB VAL A 937 16.248 5.390 -4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 937 14.088 6.516 -3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 937 15.457 7.540 -3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 937 14.619 7.856 -4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 937 14.350 4.887 -5.790 1.00 0.00 H new ATOM 0 HG22 VAL A 937 14.893 6.160 -6.909 1.00 0.00 H new ATOM 0 HG23 VAL A 937 15.909 4.725 -6.633 1.00 0.00 H new ATOM 364 N SER A 938 17.278 8.976 -4.261 1.00 0.00 N ATOM 365 CA SER A 938 17.760 9.862 -3.208 1.00 0.00 C ATOM 366 C SER A 938 16.712 10.915 -2.861 1.00 0.00 C ATOM 367 O SER A 938 15.679 11.019 -3.524 1.00 0.00 O ATOM 368 CB SER A 938 19.060 10.544 -3.641 1.00 0.00 C ATOM 369 OG SER A 938 20.144 9.632 -3.627 1.00 0.00 O ATOM 0 H SER A 938 16.581 9.394 -4.877 1.00 0.00 H new ATOM 0 HA SER A 938 17.952 9.259 -2.320 1.00 0.00 H new ATOM 0 HB2 SER A 938 18.941 10.957 -4.643 1.00 0.00 H new ATOM 0 HB3 SER A 938 19.275 11.380 -2.975 1.00 0.00 H new ATOM 0 HG SER A 938 19.802 8.719 -3.527 1.00 0.00 H new ATOM 375 N ILE A 939 16.984 11.691 -1.818 1.00 0.00 N ATOM 376 CA ILE A 939 16.066 12.736 -1.383 1.00 0.00 C ATOM 377 C ILE A 939 15.776 13.718 -2.513 1.00 0.00 C ATOM 378 O ILE A 939 14.634 14.133 -2.711 1.00 0.00 O ATOM 379 CB ILE A 939 16.625 13.511 -0.175 1.00 0.00 C ATOM 380 CG1 ILE A 939 16.877 12.560 0.996 1.00 0.00 C ATOM 381 CG2 ILE A 939 15.668 14.620 0.232 1.00 0.00 C ATOM 382 CD1 ILE A 939 17.766 13.146 2.071 1.00 0.00 C ATOM 0 H ILE A 939 17.833 11.616 -1.258 1.00 0.00 H new ATOM 0 HA ILE A 939 15.141 12.240 -1.089 1.00 0.00 H new ATOM 0 HB ILE A 939 17.574 13.965 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 939 15.921 12.281 1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 939 17.333 11.645 0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 939 16.077 15.158 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 939 15.535 15.310 -0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 939 14.705 14.188 0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 939 17.901 12.416 2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 939 18.736 13.399 1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 939 17.302 14.045 2.476 1.00 0.00 H new ATOM 394 N ASP A 940 16.817 14.085 -3.252 1.00 0.00 N ATOM 395 CA ASP A 940 16.674 15.016 -4.366 1.00 0.00 C ATOM 396 C ASP A 940 15.772 14.434 -5.449 1.00 0.00 C ATOM 397 O ASP A 940 14.882 15.113 -5.960 1.00 0.00 O ATOM 398 CB ASP A 940 18.045 15.355 -4.953 1.00 0.00 C ATOM 399 CG ASP A 940 18.926 16.104 -3.973 1.00 0.00 C ATOM 400 OD1 ASP A 940 18.954 15.717 -2.786 1.00 0.00 O ATOM 401 OD2 ASP A 940 19.586 17.078 -4.392 1.00 0.00 O ATOM 0 H ASP A 940 17.769 13.752 -3.100 1.00 0.00 H new ATOM 0 HA ASP A 940 16.213 15.929 -3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 940 18.545 14.435 -5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 940 17.913 15.957 -5.852 1.00 0.00 H new ATOM 406 N GLU A 941 16.010 13.172 -5.795 1.00 0.00 N ATOM 407 CA GLU A 941 15.219 12.500 -6.820 1.00 0.00 C ATOM 408 C GLU A 941 13.772 12.332 -6.367 1.00 0.00 C ATOM 409 O GLU A 941 12.839 12.607 -7.123 1.00 0.00 O ATOM 410 CB GLU A 941 15.825 11.134 -7.148 1.00 0.00 C ATOM 411 CG GLU A 941 17.186 11.216 -7.818 1.00 0.00 C ATOM 412 CD GLU A 941 17.145 11.971 -9.132 1.00 0.00 C ATOM 413 OE1 GLU A 941 16.455 11.504 -10.063 1.00 0.00 O ATOM 414 OE2 GLU A 941 17.801 13.029 -9.230 1.00 0.00 O ATOM 0 H GLU A 941 16.743 12.596 -5.381 1.00 0.00 H new ATOM 0 HA GLU A 941 15.231 13.119 -7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 941 15.917 10.556 -6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 941 15.141 10.590 -7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 941 17.890 11.705 -7.144 1.00 0.00 H new ATOM 0 HG3 GLU A 941 17.561 10.208 -7.994 1.00 0.00 H new ATOM 421 N ILE A 942 13.594 11.879 -5.131 1.00 0.00 N ATOM 422 CA ILE A 942 12.261 11.675 -4.578 1.00 0.00 C ATOM 423 C ILE A 942 11.478 12.982 -4.533 1.00 0.00 C ATOM 424 O ILE A 942 10.312 13.035 -4.929 1.00 0.00 O ATOM 425 CB ILE A 942 12.325 11.079 -3.159 1.00 0.00 C ATOM 426 CG1 ILE A 942 12.936 9.677 -3.198 1.00 0.00 C ATOM 427 CG2 ILE A 942 10.937 11.041 -2.537 1.00 0.00 C ATOM 428 CD1 ILE A 942 13.611 9.276 -1.905 1.00 0.00 C ATOM 0 H ILE A 942 14.356 11.646 -4.494 1.00 0.00 H new ATOM 0 HA ILE A 942 11.751 10.972 -5.236 1.00 0.00 H new ATOM 0 HB ILE A 942 12.961 11.715 -2.542 1.00 0.00 H new ATOM 0 HG12 ILE A 942 12.153 8.955 -3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 942 13.663 9.629 -4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 942 10.999 10.617 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 942 10.536 12.053 -2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 942 10.280 10.425 -3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 942 14.021 8.271 -2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 942 14.416 9.976 -1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 942 12.883 9.291 -1.094 1.00 0.00 H new ATOM 440 N LEU A 943 12.125 14.037 -4.051 1.00 0.00 N ATOM 441 CA LEU A 943 11.491 15.347 -3.956 1.00 0.00 C ATOM 442 C LEU A 943 11.008 15.819 -5.324 1.00 0.00 C ATOM 443 O LEU A 943 9.912 16.365 -5.452 1.00 0.00 O ATOM 444 CB LEU A 943 12.467 16.367 -3.368 1.00 0.00 C ATOM 445 CG LEU A 943 12.453 16.509 -1.845 1.00 0.00 C ATOM 446 CD1 LEU A 943 13.555 17.452 -1.387 1.00 0.00 C ATOM 447 CD2 LEU A 943 11.095 17.001 -1.368 1.00 0.00 C ATOM 0 H LEU A 943 13.089 14.011 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 943 10.627 15.258 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 943 13.476 16.095 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 943 12.250 17.341 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 943 12.636 15.528 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 943 13.530 17.541 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 943 14.523 17.058 -1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 943 13.403 18.434 -1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 943 11.103 17.096 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 943 10.882 17.972 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 943 10.325 16.288 -1.664 1.00 0.00 H new ATOM 459 N ASP A 944 11.832 15.602 -6.343 1.00 0.00 N ATOM 460 CA ASP A 944 11.487 16.001 -7.703 1.00 0.00 C ATOM 461 C ASP A 944 10.396 15.101 -8.274 1.00 0.00 C ATOM 462 O ASP A 944 9.547 15.549 -9.045 1.00 0.00 O ATOM 463 CB ASP A 944 12.725 15.955 -8.600 1.00 0.00 C ATOM 464 CG ASP A 944 12.653 16.953 -9.738 1.00 0.00 C ATOM 465 OD1 ASP A 944 12.986 18.136 -9.513 1.00 0.00 O ATOM 466 OD2 ASP A 944 12.264 16.552 -10.855 1.00 0.00 O ATOM 0 H ASP A 944 12.743 15.152 -6.254 1.00 0.00 H new ATOM 0 HA ASP A 944 11.109 17.023 -7.670 1.00 0.00 H new ATOM 0 HB2 ASP A 944 13.612 16.156 -8.000 1.00 0.00 H new ATOM 0 HB3 ASP A 944 12.837 14.951 -9.008 1.00 0.00 H new ATOM 471 N PHE A 945 10.425 13.829 -7.891 1.00 0.00 N ATOM 472 CA PHE A 945 9.440 12.865 -8.367 1.00 0.00 C ATOM 473 C PHE A 945 8.033 13.266 -7.932 1.00 0.00 C ATOM 474 O PHE A 945 7.067 13.088 -8.675 1.00 0.00 O ATOM 475 CB PHE A 945 9.769 11.466 -7.841 1.00 0.00 C ATOM 476 CG PHE A 945 8.649 10.481 -8.018 1.00 0.00 C ATOM 477 CD1 PHE A 945 7.536 10.522 -7.194 1.00 0.00 C ATOM 478 CD2 PHE A 945 8.709 9.513 -9.008 1.00 0.00 C ATOM 479 CE1 PHE A 945 6.505 9.616 -7.354 1.00 0.00 C ATOM 480 CE2 PHE A 945 7.681 8.605 -9.173 1.00 0.00 C ATOM 481 CZ PHE A 945 6.577 8.657 -8.345 1.00 0.00 C ATOM 0 H PHE A 945 11.120 13.442 -7.252 1.00 0.00 H new ATOM 0 HA PHE A 945 9.476 12.854 -9.456 1.00 0.00 H new ATOM 0 HB2 PHE A 945 10.655 11.093 -8.354 1.00 0.00 H new ATOM 0 HB3 PHE A 945 10.019 11.534 -6.782 1.00 0.00 H new ATOM 0 HD1 PHE A 945 7.473 11.270 -6.418 1.00 0.00 H new ATOM 0 HD2 PHE A 945 9.570 9.468 -9.658 1.00 0.00 H new ATOM 0 HE1 PHE A 945 5.643 9.658 -6.704 1.00 0.00 H new ATOM 0 HE2 PHE A 945 7.741 7.856 -9.948 1.00 0.00 H new ATOM 0 HZ PHE A 945 5.771 7.949 -8.472 1.00 0.00 H new ATOM 491 N PHE A 946 7.925 13.807 -6.724 1.00 0.00 N ATOM 492 CA PHE A 946 6.637 14.232 -6.188 1.00 0.00 C ATOM 493 C PHE A 946 6.418 15.725 -6.419 1.00 0.00 C ATOM 494 O PHE A 946 5.648 16.368 -5.705 1.00 0.00 O ATOM 495 CB PHE A 946 6.553 13.918 -4.693 1.00 0.00 C ATOM 496 CG PHE A 946 6.301 12.467 -4.399 1.00 0.00 C ATOM 497 CD1 PHE A 946 5.031 11.929 -4.536 1.00 0.00 C ATOM 498 CD2 PHE A 946 7.333 11.640 -3.985 1.00 0.00 C ATOM 499 CE1 PHE A 946 4.795 10.595 -4.266 1.00 0.00 C ATOM 500 CE2 PHE A 946 7.103 10.305 -3.714 1.00 0.00 C ATOM 501 CZ PHE A 946 5.832 9.781 -3.854 1.00 0.00 C ATOM 0 H PHE A 946 8.714 13.962 -6.097 1.00 0.00 H new ATOM 0 HA PHE A 946 5.855 13.682 -6.711 1.00 0.00 H new ATOM 0 HB2 PHE A 946 7.483 14.221 -4.213 1.00 0.00 H new ATOM 0 HB3 PHE A 946 5.756 14.514 -4.249 1.00 0.00 H new ATOM 0 HD1 PHE A 946 4.216 12.560 -4.858 1.00 0.00 H new ATOM 0 HD2 PHE A 946 8.328 12.044 -3.873 1.00 0.00 H new ATOM 0 HE1 PHE A 946 3.800 10.189 -4.377 1.00 0.00 H new ATOM 0 HE2 PHE A 946 7.916 9.671 -3.393 1.00 0.00 H new ATOM 0 HZ PHE A 946 5.650 8.738 -3.642 1.00 0.00 H new ATOM 511 N TYR A 947 7.101 16.269 -7.420 1.00 0.00 N ATOM 512 CA TYR A 947 6.984 17.686 -7.744 1.00 0.00 C ATOM 513 C TYR A 947 5.549 18.042 -8.118 1.00 0.00 C ATOM 514 O TYR A 947 4.748 17.171 -8.455 1.00 0.00 O ATOM 515 CB TYR A 947 7.928 18.047 -8.892 1.00 0.00 C ATOM 516 CG TYR A 947 8.089 19.537 -9.096 1.00 0.00 C ATOM 517 CD1 TYR A 947 8.735 20.322 -8.149 1.00 0.00 C ATOM 518 CD2 TYR A 947 7.596 20.159 -10.236 1.00 0.00 C ATOM 519 CE1 TYR A 947 8.884 21.683 -8.331 1.00 0.00 C ATOM 520 CE2 TYR A 947 7.742 21.519 -10.428 1.00 0.00 C ATOM 521 CZ TYR A 947 8.387 22.277 -9.472 1.00 0.00 C ATOM 522 OH TYR A 947 8.533 23.633 -9.658 1.00 0.00 O ATOM 0 H TYR A 947 7.741 15.750 -8.021 1.00 0.00 H new ATOM 0 HA TYR A 947 7.262 18.260 -6.860 1.00 0.00 H new ATOM 0 HB2 TYR A 947 8.906 17.607 -8.699 1.00 0.00 H new ATOM 0 HB3 TYR A 947 7.554 17.601 -9.813 1.00 0.00 H new ATOM 0 HD1 TYR A 947 9.127 19.860 -7.255 1.00 0.00 H new ATOM 0 HD2 TYR A 947 7.090 19.569 -10.985 1.00 0.00 H new ATOM 0 HE1 TYR A 947 9.387 22.279 -7.584 1.00 0.00 H new ATOM 0 HE2 TYR A 947 7.354 21.986 -11.321 1.00 0.00 H new ATOM 0 HH TYR A 947 8.128 23.891 -10.512 1.00 0.00 H new ATOM 532 N GLY A 948 5.231 19.332 -8.056 1.00 0.00 N ATOM 533 CA GLY A 948 3.893 19.783 -8.392 1.00 0.00 C ATOM 534 C GLY A 948 2.913 19.591 -7.251 1.00 0.00 C ATOM 535 O GLY A 948 2.087 20.462 -6.980 1.00 0.00 O ATOM 0 H GLY A 948 5.876 20.072 -7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 948 3.926 20.838 -8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 948 3.538 19.238 -9.267 1.00 0.00 H new ATOM 539 N TYR A 949 3.004 18.446 -6.583 1.00 0.00 N ATOM 540 CA TYR A 949 2.115 18.140 -5.468 1.00 0.00 C ATOM 541 C TYR A 949 2.652 18.728 -4.167 1.00 0.00 C ATOM 542 O TYR A 949 3.842 18.624 -3.871 1.00 0.00 O ATOM 543 CB TYR A 949 1.945 16.626 -5.325 1.00 0.00 C ATOM 544 CG TYR A 949 1.242 15.983 -6.499 1.00 0.00 C ATOM 545 CD1 TYR A 949 -0.121 16.160 -6.700 1.00 0.00 C ATOM 546 CD2 TYR A 949 1.942 15.197 -7.407 1.00 0.00 C ATOM 547 CE1 TYR A 949 -0.767 15.573 -7.771 1.00 0.00 C ATOM 548 CE2 TYR A 949 1.304 14.608 -8.482 1.00 0.00 C ATOM 549 CZ TYR A 949 -0.051 14.799 -8.659 1.00 0.00 C ATOM 550 OH TYR A 949 -0.690 14.212 -9.727 1.00 0.00 O ATOM 0 H TYR A 949 3.684 17.715 -6.794 1.00 0.00 H new ATOM 0 HA TYR A 949 1.144 18.590 -5.676 1.00 0.00 H new ATOM 0 HB2 TYR A 949 2.927 16.168 -5.205 1.00 0.00 H new ATOM 0 HB3 TYR A 949 1.382 16.416 -4.416 1.00 0.00 H new ATOM 0 HD1 TYR A 949 -0.685 16.767 -6.007 1.00 0.00 H new ATOM 0 HD2 TYR A 949 3.002 15.044 -7.270 1.00 0.00 H new ATOM 0 HE1 TYR A 949 -1.828 15.720 -7.912 1.00 0.00 H new ATOM 0 HE2 TYR A 949 1.863 14.002 -9.180 1.00 0.00 H new ATOM 0 HH TYR A 949 -0.197 14.407 -10.551 1.00 0.00 H new ATOM 560 N GLN A 950 1.764 19.343 -3.393 1.00 0.00 N ATOM 561 CA GLN A 950 2.148 19.948 -2.122 1.00 0.00 C ATOM 562 C GLN A 950 2.602 18.884 -1.128 1.00 0.00 C ATOM 563 O GLN A 950 1.822 18.427 -0.293 1.00 0.00 O ATOM 564 CB GLN A 950 0.979 20.743 -1.538 1.00 0.00 C ATOM 565 CG GLN A 950 0.444 21.815 -2.474 1.00 0.00 C ATOM 566 CD GLN A 950 -0.328 22.895 -1.743 1.00 0.00 C ATOM 567 OE1 GLN A 950 -0.283 22.984 -0.516 1.00 0.00 O ATOM 568 NE2 GLN A 950 -1.042 23.724 -2.495 1.00 0.00 N ATOM 0 H GLN A 950 0.775 19.436 -3.623 1.00 0.00 H new ATOM 0 HA GLN A 950 2.982 20.625 -2.308 1.00 0.00 H new ATOM 0 HB2 GLN A 950 0.171 20.055 -1.288 1.00 0.00 H new ATOM 0 HB3 GLN A 950 1.298 21.212 -0.607 1.00 0.00 H new ATOM 0 HG2 GLN A 950 1.275 22.269 -3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 950 -0.203 21.352 -3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 950 -1.051 23.614 -3.509 1.00 0.00 H new ATOM 0 HE22 GLN A 950 -1.582 24.471 -2.059 1.00 0.00 H new ATOM 577 N VAL A 951 3.869 18.493 -1.225 1.00 0.00 N ATOM 578 CA VAL A 951 4.427 17.483 -0.333 1.00 0.00 C ATOM 579 C VAL A 951 4.744 18.073 1.036 1.00 0.00 C ATOM 580 O VAL A 951 5.548 19.000 1.152 1.00 0.00 O ATOM 581 CB VAL A 951 5.708 16.862 -0.922 1.00 0.00 C ATOM 582 CG1 VAL A 951 6.300 15.845 0.042 1.00 0.00 C ATOM 583 CG2 VAL A 951 5.417 16.222 -2.271 1.00 0.00 C ATOM 0 H VAL A 951 4.528 18.860 -1.912 1.00 0.00 H new ATOM 0 HA VAL A 951 3.672 16.705 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 951 6.440 17.655 -1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 951 7.204 15.417 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 951 6.546 16.336 0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 951 5.575 15.052 0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 951 6.333 15.788 -2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 951 4.668 15.440 -2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 951 5.042 16.979 -2.959 1.00 0.00 H new ATOM 593 N ILE A 952 4.110 17.531 2.069 1.00 0.00 N ATOM 594 CA ILE A 952 4.326 18.003 3.431 1.00 0.00 C ATOM 595 C ILE A 952 5.814 18.115 3.745 1.00 0.00 C ATOM 596 O ILE A 952 6.599 17.204 3.483 1.00 0.00 O ATOM 597 CB ILE A 952 3.665 17.070 4.462 1.00 0.00 C ATOM 598 CG1 ILE A 952 2.143 17.096 4.304 1.00 0.00 C ATOM 599 CG2 ILE A 952 4.062 17.474 5.874 1.00 0.00 C ATOM 600 CD1 ILE A 952 1.438 15.992 5.061 1.00 0.00 C ATOM 0 H ILE A 952 3.442 16.764 1.989 1.00 0.00 H new ATOM 0 HA ILE A 952 3.867 18.989 3.499 1.00 0.00 H new ATOM 0 HB ILE A 952 4.013 16.053 4.284 1.00 0.00 H new ATOM 0 HG12 ILE A 952 1.766 18.059 4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 952 1.894 17.016 3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 952 3.587 16.805 6.591 1.00 0.00 H new ATOM 0 HG22 ILE A 952 5.145 17.409 5.980 1.00 0.00 H new ATOM 0 HG23 ILE A 952 3.739 18.498 6.064 1.00 0.00 H new ATOM 0 HD11 ILE A 952 0.362 16.072 4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 952 1.786 15.024 4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 952 1.657 16.083 6.125 1.00 0.00 H new ATOM 612 N PRO A 953 6.213 19.260 4.320 1.00 0.00 N ATOM 613 CA PRO A 953 7.610 19.517 4.684 1.00 0.00 C ATOM 614 C PRO A 953 8.073 18.654 5.852 1.00 0.00 C ATOM 615 O PRO A 953 7.621 18.828 6.983 1.00 0.00 O ATOM 616 CB PRO A 953 7.606 20.996 5.080 1.00 0.00 C ATOM 617 CG PRO A 953 6.206 21.269 5.510 1.00 0.00 C ATOM 618 CD PRO A 953 5.332 20.389 4.660 1.00 0.00 C ATOM 0 HA PRO A 953 8.294 19.281 3.869 1.00 0.00 H new ATOM 0 HB2 PRO A 953 8.313 21.192 5.886 1.00 0.00 H new ATOM 0 HB3 PRO A 953 7.894 21.631 4.242 1.00 0.00 H new ATOM 0 HG2 PRO A 953 6.072 21.046 6.569 1.00 0.00 H new ATOM 0 HG3 PRO A 953 5.953 22.320 5.372 1.00 0.00 H new ATOM 0 HD2 PRO A 953 4.446 20.058 5.202 1.00 0.00 H new ATOM 0 HD3 PRO A 953 4.984 20.910 3.768 1.00 0.00 H new ATOM 626 N GLY A 954 8.979 17.722 5.571 1.00 0.00 N ATOM 627 CA GLY A 954 9.489 16.846 6.609 1.00 0.00 C ATOM 628 C GLY A 954 8.693 15.560 6.725 1.00 0.00 C ATOM 629 O GLY A 954 8.564 14.999 7.812 1.00 0.00 O ATOM 0 H GLY A 954 9.369 17.558 4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 954 10.531 16.607 6.399 1.00 0.00 H new ATOM 0 HA3 GLY A 954 9.469 17.370 7.565 1.00 0.00 H new ATOM 633 N SER A 955 8.158 15.094 5.601 1.00 0.00 N ATOM 634 CA SER A 955 7.366 13.870 5.582 1.00 0.00 C ATOM 635 C SER A 955 8.173 12.710 5.005 1.00 0.00 C ATOM 636 O SER A 955 8.300 11.656 5.628 1.00 0.00 O ATOM 637 CB SER A 955 6.090 14.075 4.764 1.00 0.00 C ATOM 638 OG SER A 955 6.394 14.417 3.423 1.00 0.00 O ATOM 0 H SER A 955 8.259 15.546 4.692 1.00 0.00 H new ATOM 0 HA SER A 955 7.095 13.626 6.609 1.00 0.00 H new ATOM 0 HB2 SER A 955 5.491 13.164 4.784 1.00 0.00 H new ATOM 0 HB3 SER A 955 5.487 14.863 5.216 1.00 0.00 H new ATOM 0 HG SER A 955 6.469 15.391 3.343 1.00 0.00 H new ATOM 644 N VAL A 956 8.716 12.913 3.809 1.00 0.00 N ATOM 645 CA VAL A 956 9.511 11.886 3.146 1.00 0.00 C ATOM 646 C VAL A 956 10.309 11.071 4.158 1.00 0.00 C ATOM 647 O VAL A 956 11.199 11.595 4.828 1.00 0.00 O ATOM 648 CB VAL A 956 10.481 12.502 2.120 1.00 0.00 C ATOM 649 CG1 VAL A 956 11.346 11.422 1.488 1.00 0.00 C ATOM 650 CG2 VAL A 956 9.712 13.271 1.056 1.00 0.00 C ATOM 0 H VAL A 956 8.620 13.779 3.279 1.00 0.00 H new ATOM 0 HA VAL A 956 8.812 11.231 2.626 1.00 0.00 H new ATOM 0 HB VAL A 956 11.136 13.201 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 956 12.025 11.876 0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 956 11.924 10.919 2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 956 10.710 10.696 0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 956 10.412 13.700 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 956 9.032 12.595 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 956 9.140 14.070 1.527 1.00 0.00 H new ATOM 660 N CYS A 957 9.985 9.787 4.262 1.00 0.00 N ATOM 661 CA CYS A 957 10.672 8.899 5.193 1.00 0.00 C ATOM 662 C CYS A 957 11.344 7.748 4.451 1.00 0.00 C ATOM 663 O CYS A 957 10.673 6.888 3.878 1.00 0.00 O ATOM 664 CB CYS A 957 9.688 8.349 6.227 1.00 0.00 C ATOM 665 SG CYS A 957 10.474 7.656 7.700 1.00 0.00 S ATOM 0 H CYS A 957 9.252 9.338 3.714 1.00 0.00 H new ATOM 0 HA CYS A 957 11.442 9.476 5.706 1.00 0.00 H new ATOM 0 HB2 CYS A 957 9.013 9.149 6.531 1.00 0.00 H new ATOM 0 HB3 CYS A 957 9.078 7.578 5.757 1.00 0.00 H new ATOM 0 HG CYS A 957 9.560 7.219 8.515 1.00 0.00 H new ATOM 671 N LEU A 958 12.672 7.739 4.463 1.00 0.00 N ATOM 672 CA LEU A 958 13.436 6.694 3.789 1.00 0.00 C ATOM 673 C LEU A 958 13.533 5.444 4.658 1.00 0.00 C ATOM 674 O LEU A 958 13.864 5.521 5.842 1.00 0.00 O ATOM 675 CB LEU A 958 14.838 7.201 3.447 1.00 0.00 C ATOM 676 CG LEU A 958 14.938 8.133 2.239 1.00 0.00 C ATOM 677 CD1 LEU A 958 16.316 8.772 2.171 1.00 0.00 C ATOM 678 CD2 LEU A 958 14.635 7.376 0.954 1.00 0.00 C ATOM 0 H LEU A 958 13.242 8.443 4.932 1.00 0.00 H new ATOM 0 HA LEU A 958 12.915 6.434 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 958 15.236 7.723 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 958 15.481 6.339 3.270 1.00 0.00 H new ATOM 0 HG LEU A 958 14.198 8.925 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 958 16.369 9.432 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 958 16.495 9.349 3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 958 17.074 7.994 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 958 14.711 8.055 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 958 15.351 6.563 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 958 13.626 6.967 1.002 1.00 0.00 H new ATOM 690 N LYS A 959 13.244 4.292 4.063 1.00 0.00 N ATOM 691 CA LYS A 959 13.302 3.024 4.780 1.00 0.00 C ATOM 692 C LYS A 959 14.646 2.336 4.562 1.00 0.00 C ATOM 693 O LYS A 959 15.175 2.326 3.450 1.00 0.00 O ATOM 694 CB LYS A 959 12.166 2.105 4.324 1.00 0.00 C ATOM 695 CG LYS A 959 11.764 1.074 5.364 1.00 0.00 C ATOM 696 CD LYS A 959 10.813 0.039 4.785 1.00 0.00 C ATOM 697 CE LYS A 959 10.842 -1.254 5.585 1.00 0.00 C ATOM 698 NZ LYS A 959 10.122 -2.355 4.886 1.00 0.00 N ATOM 0 H LYS A 959 12.967 4.210 3.085 1.00 0.00 H new ATOM 0 HA LYS A 959 13.189 3.231 5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 959 11.297 2.713 4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 959 12.470 1.590 3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 959 12.655 0.577 5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 959 11.289 1.574 6.208 1.00 0.00 H new ATOM 0 HD2 LYS A 959 9.799 0.440 4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 959 11.084 -0.167 3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 959 11.876 -1.550 5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 959 10.389 -1.087 6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 10.667 -3.236 4.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 9.184 -2.484 5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 10.011 -2.114 3.880 1.00 0.00 H new ATOM 712 N TYR A 960 15.191 1.762 5.628 1.00 0.00 N ATOM 713 CA TYR A 960 16.474 1.073 5.553 1.00 0.00 C ATOM 714 C TYR A 960 16.375 -0.328 6.150 1.00 0.00 C ATOM 715 O TYR A 960 15.362 -0.691 6.745 1.00 0.00 O ATOM 716 CB TYR A 960 17.551 1.876 6.283 1.00 0.00 C ATOM 717 CG TYR A 960 17.751 3.267 5.726 1.00 0.00 C ATOM 718 CD1 TYR A 960 18.486 3.473 4.565 1.00 0.00 C ATOM 719 CD2 TYR A 960 17.206 4.376 6.361 1.00 0.00 C ATOM 720 CE1 TYR A 960 18.672 4.742 4.052 1.00 0.00 C ATOM 721 CE2 TYR A 960 17.386 5.649 5.855 1.00 0.00 C ATOM 722 CZ TYR A 960 18.120 5.827 4.701 1.00 0.00 C ATOM 723 OH TYR A 960 18.302 7.093 4.194 1.00 0.00 O ATOM 0 H TYR A 960 14.765 1.760 6.555 1.00 0.00 H new ATOM 0 HA TYR A 960 16.748 0.982 4.502 1.00 0.00 H new ATOM 0 HB2 TYR A 960 17.285 1.951 7.337 1.00 0.00 H new ATOM 0 HB3 TYR A 960 18.495 1.334 6.231 1.00 0.00 H new ATOM 0 HD1 TYR A 960 18.920 2.626 4.055 1.00 0.00 H new ATOM 0 HD2 TYR A 960 16.632 4.241 7.266 1.00 0.00 H new ATOM 0 HE1 TYR A 960 19.246 4.884 3.148 1.00 0.00 H new ATOM 0 HE2 TYR A 960 16.954 6.500 6.360 1.00 0.00 H new ATOM 0 HH TYR A 960 17.848 7.744 4.769 1.00 0.00 H new ATOM 733 N ASN A 961 17.437 -1.110 5.986 1.00 0.00 N ATOM 734 CA ASN A 961 17.472 -2.471 6.509 1.00 0.00 C ATOM 735 C ASN A 961 18.255 -2.532 7.817 1.00 0.00 C ATOM 736 O ASN A 961 18.744 -1.514 8.306 1.00 0.00 O ATOM 737 CB ASN A 961 18.098 -3.417 5.483 1.00 0.00 C ATOM 738 CG ASN A 961 19.251 -2.777 4.734 1.00 0.00 C ATOM 739 OD1 ASN A 961 20.435 -2.805 5.335 1.00 0.00 O flip ATOM 740 ND2 ASN A 961 19.079 -2.265 3.628 1.00 0.00 N flip ATOM 0 H ASN A 961 18.284 -0.825 5.495 1.00 0.00 H new ATOM 0 HA ASN A 961 16.447 -2.784 6.705 1.00 0.00 H new ATOM 0 HB2 ASN A 961 18.451 -4.315 5.989 1.00 0.00 H new ATOM 0 HB3 ASN A 961 17.336 -3.732 4.770 1.00 0.00 H new ATOM 0 HD21 ASN A 961 18.151 -2.266 3.204 1.00 0.00 H new ATOM 0 HD22 ASN A 961 19.864 -1.839 3.135 1.00 0.00 H new ATOM 747 N GLU A 962 18.369 -3.732 8.377 1.00 0.00 N ATOM 748 CA GLU A 962 19.092 -3.925 9.628 1.00 0.00 C ATOM 749 C GLU A 962 20.479 -3.291 9.559 1.00 0.00 C ATOM 750 O GLU A 962 20.895 -2.579 10.473 1.00 0.00 O ATOM 751 CB GLU A 962 19.217 -5.416 9.946 1.00 0.00 C ATOM 752 CG GLU A 962 20.065 -6.183 8.945 1.00 0.00 C ATOM 753 CD GLU A 962 20.084 -7.675 9.219 1.00 0.00 C ATOM 754 OE1 GLU A 962 20.372 -8.062 10.370 1.00 0.00 O ATOM 755 OE2 GLU A 962 19.811 -8.454 8.282 1.00 0.00 O ATOM 0 H GLU A 962 17.970 -4.585 7.984 1.00 0.00 H new ATOM 0 HA GLU A 962 18.527 -3.437 10.423 1.00 0.00 H new ATOM 0 HB2 GLU A 962 19.649 -5.532 10.940 1.00 0.00 H new ATOM 0 HB3 GLU A 962 18.221 -5.857 9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 962 19.682 -6.007 7.940 1.00 0.00 H new ATOM 0 HG3 GLU A 962 21.085 -5.800 8.969 1.00 0.00 H new ATOM 762 N LYS A 963 21.189 -3.554 8.468 1.00 0.00 N ATOM 763 CA LYS A 963 22.529 -3.010 8.276 1.00 0.00 C ATOM 764 C LYS A 963 22.491 -1.487 8.195 1.00 0.00 C ATOM 765 O LYS A 963 23.321 -0.803 8.790 1.00 0.00 O ATOM 766 CB LYS A 963 23.158 -3.584 7.005 1.00 0.00 C ATOM 767 CG LYS A 963 23.114 -5.101 6.936 1.00 0.00 C ATOM 768 CD LYS A 963 24.219 -5.729 7.768 1.00 0.00 C ATOM 769 CE LYS A 963 23.759 -6.003 9.191 1.00 0.00 C ATOM 770 NZ LYS A 963 23.159 -7.359 9.328 1.00 0.00 N ATOM 0 H LYS A 963 20.859 -4.141 7.702 1.00 0.00 H new ATOM 0 HA LYS A 963 23.137 -3.296 9.135 1.00 0.00 H new ATOM 0 HB2 LYS A 963 22.642 -3.174 6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 963 24.196 -3.256 6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 963 22.145 -5.454 7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 963 23.211 -5.422 5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 963 24.541 -6.661 7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 963 25.084 -5.066 7.786 1.00 0.00 H new ATOM 0 HE2 LYS A 963 24.606 -5.910 9.871 1.00 0.00 H new ATOM 0 HE3 LYS A 963 23.028 -5.251 9.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 963 22.513 -7.372 10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 963 22.631 -7.594 8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 963 23.914 -8.059 9.474 1.00 0.00 H new ATOM 784 N GLY A 964 21.519 -0.963 7.453 1.00 0.00 N ATOM 785 CA GLY A 964 21.391 0.475 7.309 1.00 0.00 C ATOM 786 C GLY A 964 21.144 0.894 5.873 1.00 0.00 C ATOM 787 O GLY A 964 20.538 1.934 5.618 1.00 0.00 O ATOM 0 H GLY A 964 20.819 -1.509 6.950 1.00 0.00 H new ATOM 0 HA2 GLY A 964 20.570 0.828 7.934 1.00 0.00 H new ATOM 0 HA3 GLY A 964 22.299 0.956 7.674 1.00 0.00 H new ATOM 791 N MET A 965 21.617 0.083 4.932 1.00 0.00 N ATOM 792 CA MET A 965 21.445 0.376 3.514 1.00 0.00 C ATOM 793 C MET A 965 19.980 0.650 3.190 1.00 0.00 C ATOM 794 O MET A 965 19.072 0.249 3.918 1.00 0.00 O ATOM 795 CB MET A 965 21.959 -0.788 2.665 1.00 0.00 C ATOM 796 CG MET A 965 23.459 -0.750 2.425 1.00 0.00 C ATOM 797 SD MET A 965 24.411 -1.048 3.927 1.00 0.00 S ATOM 798 CE MET A 965 25.170 0.556 4.171 1.00 0.00 C ATOM 0 H MET A 965 22.122 -0.782 5.126 1.00 0.00 H new ATOM 0 HA MET A 965 22.024 1.270 3.280 1.00 0.00 H new ATOM 0 HB2 MET A 965 21.702 -1.726 3.156 1.00 0.00 H new ATOM 0 HB3 MET A 965 21.445 -0.780 1.704 1.00 0.00 H new ATOM 0 HG2 MET A 965 23.722 -1.499 1.678 1.00 0.00 H new ATOM 0 HG3 MET A 965 23.733 0.221 2.013 1.00 0.00 H new ATOM 0 HE1 MET A 965 25.793 0.532 5.065 1.00 0.00 H new ATOM 0 HE2 MET A 965 25.786 0.802 3.306 1.00 0.00 H new ATOM 0 HE3 MET A 965 24.394 1.312 4.290 1.00 0.00 H new ATOM 808 N PRO A 966 19.742 1.351 2.071 1.00 0.00 N ATOM 809 CA PRO A 966 18.388 1.694 1.625 1.00 0.00 C ATOM 810 C PRO A 966 17.610 0.474 1.144 1.00 0.00 C ATOM 811 O PRO A 966 18.147 -0.380 0.438 1.00 0.00 O ATOM 812 CB PRO A 966 18.632 2.663 0.466 1.00 0.00 C ATOM 813 CG PRO A 966 19.987 2.313 -0.043 1.00 0.00 C ATOM 814 CD PRO A 966 20.775 1.861 1.155 1.00 0.00 C ATOM 0 HA PRO A 966 17.787 2.115 2.431 1.00 0.00 H new ATOM 0 HB2 PRO A 966 17.876 2.549 -0.311 1.00 0.00 H new ATOM 0 HB3 PRO A 966 18.591 3.699 0.801 1.00 0.00 H new ATOM 0 HG2 PRO A 966 19.930 1.524 -0.793 1.00 0.00 H new ATOM 0 HG3 PRO A 966 20.459 3.172 -0.519 1.00 0.00 H new ATOM 0 HD2 PRO A 966 21.497 1.087 0.893 1.00 0.00 H new ATOM 0 HD3 PRO A 966 21.336 2.683 1.600 1.00 0.00 H new ATOM 822 N THR A 967 16.340 0.397 1.530 1.00 0.00 N ATOM 823 CA THR A 967 15.488 -0.718 1.139 1.00 0.00 C ATOM 824 C THR A 967 14.574 -0.333 -0.018 1.00 0.00 C ATOM 825 O THR A 967 13.417 -0.749 -0.073 1.00 0.00 O ATOM 826 CB THR A 967 14.626 -1.207 2.318 1.00 0.00 C ATOM 827 OG1 THR A 967 13.776 -0.150 2.776 1.00 0.00 O ATOM 828 CG2 THR A 967 15.501 -1.692 3.464 1.00 0.00 C ATOM 0 H THR A 967 15.879 1.095 2.114 1.00 0.00 H new ATOM 0 HA THR A 967 16.149 -1.525 0.823 1.00 0.00 H new ATOM 0 HB THR A 967 14.015 -2.040 1.970 1.00 0.00 H new ATOM 0 HG1 THR A 967 13.230 -0.470 3.525 1.00 0.00 H new ATOM 0 HG21 THR A 967 14.870 -2.032 4.285 1.00 0.00 H new ATOM 0 HG22 THR A 967 16.126 -2.517 3.121 1.00 0.00 H new ATOM 0 HG23 THR A 967 16.135 -0.875 3.808 1.00 0.00 H new ATOM 836 N GLY A 968 15.101 0.465 -0.942 1.00 0.00 N ATOM 837 CA GLY A 968 14.318 0.893 -2.087 1.00 0.00 C ATOM 838 C GLY A 968 12.867 1.155 -1.732 1.00 0.00 C ATOM 839 O GLY A 968 11.965 0.828 -2.502 1.00 0.00 O ATOM 0 H GLY A 968 16.056 0.823 -0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 968 14.756 1.800 -2.504 1.00 0.00 H new ATOM 0 HA3 GLY A 968 14.367 0.129 -2.863 1.00 0.00 H new ATOM 843 N GLU A 969 12.643 1.745 -0.562 1.00 0.00 N ATOM 844 CA GLU A 969 11.292 2.048 -0.106 1.00 0.00 C ATOM 845 C GLU A 969 11.250 3.392 0.617 1.00 0.00 C ATOM 846 O GLU A 969 12.201 3.771 1.299 1.00 0.00 O ATOM 847 CB GLU A 969 10.782 0.942 0.820 1.00 0.00 C ATOM 848 CG GLU A 969 10.493 -0.366 0.104 1.00 0.00 C ATOM 849 CD GLU A 969 10.572 -1.567 1.027 1.00 0.00 C ATOM 850 OE1 GLU A 969 9.654 -1.738 1.856 1.00 0.00 O ATOM 851 OE2 GLU A 969 11.551 -2.334 0.920 1.00 0.00 O ATOM 0 H GLU A 969 13.380 2.022 0.087 1.00 0.00 H new ATOM 0 HA GLU A 969 10.645 2.106 -0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 969 11.522 0.763 1.600 1.00 0.00 H new ATOM 0 HB3 GLU A 969 9.873 1.284 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 969 9.499 -0.320 -0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 969 11.203 -0.493 -0.713 1.00 0.00 H new ATOM 858 N ALA A 970 10.140 4.106 0.461 1.00 0.00 N ATOM 859 CA ALA A 970 9.972 5.406 1.099 1.00 0.00 C ATOM 860 C ALA A 970 8.502 5.690 1.387 1.00 0.00 C ATOM 861 O ALA A 970 7.619 5.246 0.654 1.00 0.00 O ATOM 862 CB ALA A 970 10.562 6.503 0.225 1.00 0.00 C ATOM 0 H ALA A 970 9.344 3.806 -0.102 1.00 0.00 H new ATOM 0 HA ALA A 970 10.505 5.388 2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 970 10.429 7.468 0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 970 11.625 6.316 0.074 1.00 0.00 H new ATOM 0 HB3 ALA A 970 10.055 6.512 -0.740 1.00 0.00 H new ATOM 868 N MET A 971 8.247 6.432 2.460 1.00 0.00 N ATOM 869 CA MET A 971 6.883 6.775 2.845 1.00 0.00 C ATOM 870 C MET A 971 6.679 8.287 2.833 1.00 0.00 C ATOM 871 O MET A 971 7.577 9.047 3.193 1.00 0.00 O ATOM 872 CB MET A 971 6.566 6.217 4.233 1.00 0.00 C ATOM 873 CG MET A 971 6.114 4.766 4.216 1.00 0.00 C ATOM 874 SD MET A 971 6.190 3.995 5.845 1.00 0.00 S ATOM 875 CE MET A 971 4.510 3.400 6.017 1.00 0.00 C ATOM 0 H MET A 971 8.967 6.807 3.078 1.00 0.00 H new ATOM 0 HA MET A 971 6.204 6.328 2.119 1.00 0.00 H new ATOM 0 HB2 MET A 971 7.452 6.306 4.862 1.00 0.00 H new ATOM 0 HB3 MET A 971 5.787 6.826 4.691 1.00 0.00 H new ATOM 0 HG2 MET A 971 5.092 4.712 3.840 1.00 0.00 H new ATOM 0 HG3 MET A 971 6.739 4.203 3.522 1.00 0.00 H new ATOM 0 HE1 MET A 971 4.399 2.898 6.978 1.00 0.00 H new ATOM 0 HE2 MET A 971 3.819 4.241 5.965 1.00 0.00 H new ATOM 0 HE3 MET A 971 4.288 2.698 5.213 1.00 0.00 H new ATOM 885 N VAL A 972 5.492 8.716 2.416 1.00 0.00 N ATOM 886 CA VAL A 972 5.170 10.137 2.358 1.00 0.00 C ATOM 887 C VAL A 972 3.781 10.409 2.925 1.00 0.00 C ATOM 888 O VAL A 972 2.952 9.506 3.023 1.00 0.00 O ATOM 889 CB VAL A 972 5.236 10.669 0.914 1.00 0.00 C ATOM 890 CG1 VAL A 972 6.666 10.632 0.397 1.00 0.00 C ATOM 891 CG2 VAL A 972 4.313 9.868 0.008 1.00 0.00 C ATOM 0 H VAL A 972 4.738 8.100 2.113 1.00 0.00 H new ATOM 0 HA VAL A 972 5.914 10.655 2.963 1.00 0.00 H new ATOM 0 HB VAL A 972 4.900 11.706 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 972 6.694 11.011 -0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 972 7.299 11.253 1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 972 7.032 9.605 0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 972 4.373 10.258 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 972 4.616 8.821 0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 972 3.288 9.950 0.369 1.00 0.00 H new ATOM 901 N ALA A 973 3.534 11.661 3.295 1.00 0.00 N ATOM 902 CA ALA A 973 2.245 12.054 3.850 1.00 0.00 C ATOM 903 C ALA A 973 1.619 13.184 3.038 1.00 0.00 C ATOM 904 O ALA A 973 2.323 14.033 2.492 1.00 0.00 O ATOM 905 CB ALA A 973 2.401 12.471 5.305 1.00 0.00 C ATOM 0 H ALA A 973 4.210 12.421 3.220 1.00 0.00 H new ATOM 0 HA ALA A 973 1.578 11.193 3.800 1.00 0.00 H new ATOM 0 HB1 ALA A 973 1.430 12.762 5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 973 2.797 11.636 5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 973 3.088 13.315 5.370 1.00 0.00 H new ATOM 911 N PHE A 974 0.292 13.187 2.963 1.00 0.00 N ATOM 912 CA PHE A 974 -0.428 14.212 2.216 1.00 0.00 C ATOM 913 C PHE A 974 -1.528 14.835 3.071 1.00 0.00 C ATOM 914 O PHE A 974 -2.243 14.135 3.787 1.00 0.00 O ATOM 915 CB PHE A 974 -1.032 13.615 0.943 1.00 0.00 C ATOM 916 CG PHE A 974 -0.059 13.527 -0.198 1.00 0.00 C ATOM 917 CD1 PHE A 974 0.951 12.579 -0.192 1.00 0.00 C ATOM 918 CD2 PHE A 974 -0.155 14.392 -1.276 1.00 0.00 C ATOM 919 CE1 PHE A 974 1.849 12.496 -1.240 1.00 0.00 C ATOM 920 CE2 PHE A 974 0.739 14.314 -2.327 1.00 0.00 C ATOM 921 CZ PHE A 974 1.742 13.364 -2.309 1.00 0.00 C ATOM 0 H PHE A 974 -0.306 12.492 3.410 1.00 0.00 H new ATOM 0 HA PHE A 974 0.281 14.993 1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 974 -1.412 12.617 1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 974 -1.885 14.220 0.637 1.00 0.00 H new ATOM 0 HD1 PHE A 974 1.038 11.897 0.641 1.00 0.00 H new ATOM 0 HD2 PHE A 974 -0.938 15.136 -1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 974 2.633 11.753 -1.223 1.00 0.00 H new ATOM 0 HE2 PHE A 974 0.654 14.995 -3.161 1.00 0.00 H new ATOM 0 HZ PHE A 974 2.441 13.300 -3.130 1.00 0.00 H new ATOM 931 N GLU A 975 -1.656 16.155 2.989 1.00 0.00 N ATOM 932 CA GLU A 975 -2.668 16.873 3.756 1.00 0.00 C ATOM 933 C GLU A 975 -4.058 16.644 3.170 1.00 0.00 C ATOM 934 O GLU A 975 -5.049 16.591 3.898 1.00 0.00 O ATOM 935 CB GLU A 975 -2.353 18.370 3.781 1.00 0.00 C ATOM 936 CG GLU A 975 -0.968 18.692 4.316 1.00 0.00 C ATOM 937 CD GLU A 975 -0.938 18.809 5.828 1.00 0.00 C ATOM 938 OE1 GLU A 975 -1.591 17.982 6.499 1.00 0.00 O ATOM 939 OE2 GLU A 975 -0.264 19.727 6.339 1.00 0.00 O ATOM 0 H GLU A 975 -1.072 16.749 2.400 1.00 0.00 H new ATOM 0 HA GLU A 975 -2.655 16.489 4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 975 -2.445 18.769 2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 975 -3.097 18.879 4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 975 -0.272 17.915 4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 975 -0.621 19.627 3.876 1.00 0.00 H new ATOM 946 N SER A 976 -4.123 16.511 1.849 1.00 0.00 N ATOM 947 CA SER A 976 -5.392 16.293 1.164 1.00 0.00 C ATOM 948 C SER A 976 -5.483 14.866 0.632 1.00 0.00 C ATOM 949 O SER A 976 -4.561 14.374 -0.020 1.00 0.00 O ATOM 950 CB SER A 976 -5.553 17.289 0.014 1.00 0.00 C ATOM 951 OG SER A 976 -6.196 18.473 0.453 1.00 0.00 O ATOM 0 H SER A 976 -3.312 16.550 1.232 1.00 0.00 H new ATOM 0 HA SER A 976 -6.196 16.447 1.883 1.00 0.00 H new ATOM 0 HB2 SER A 976 -4.575 17.534 -0.399 1.00 0.00 H new ATOM 0 HB3 SER A 976 -6.132 16.833 -0.789 1.00 0.00 H new ATOM 0 HG SER A 976 -6.286 19.095 -0.299 1.00 0.00 H new ATOM 957 N ARG A 977 -6.602 14.206 0.914 1.00 0.00 N ATOM 958 CA ARG A 977 -6.814 12.835 0.466 1.00 0.00 C ATOM 959 C ARG A 977 -6.806 12.754 -1.058 1.00 0.00 C ATOM 960 O ARG A 977 -6.126 11.910 -1.641 1.00 0.00 O ATOM 961 CB ARG A 977 -8.140 12.298 1.009 1.00 0.00 C ATOM 962 CG ARG A 977 -8.270 10.787 0.912 1.00 0.00 C ATOM 963 CD ARG A 977 -9.141 10.230 2.028 1.00 0.00 C ATOM 964 NE ARG A 977 -10.551 10.183 1.650 1.00 0.00 N ATOM 965 CZ ARG A 977 -11.547 10.157 2.528 1.00 0.00 C ATOM 966 NH1 ARG A 977 -11.289 10.173 3.829 1.00 0.00 N ATOM 967 NH2 ARG A 977 -12.804 10.114 2.106 1.00 0.00 N ATOM 0 H ARG A 977 -7.375 14.599 1.451 1.00 0.00 H new ATOM 0 HA ARG A 977 -5.998 12.223 0.850 1.00 0.00 H new ATOM 0 HB2 ARG A 977 -8.244 12.597 2.052 1.00 0.00 H new ATOM 0 HB3 ARG A 977 -8.961 12.761 0.462 1.00 0.00 H new ATOM 0 HG2 ARG A 977 -8.698 10.519 -0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 977 -7.281 10.332 0.959 1.00 0.00 H new ATOM 0 HD2 ARG A 977 -8.801 9.227 2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 977 -9.025 10.846 2.920 1.00 0.00 H new ATOM 0 HE ARG A 977 -10.784 10.169 0.657 1.00 0.00 H new ATOM 0 HH11 ARG A 977 -10.324 10.205 4.157 1.00 0.00 H new ATOM 0 HH12 ARG A 977 -12.056 10.153 4.501 1.00 0.00 H new ATOM 0 HH21 ARG A 977 -13.006 10.101 1.106 1.00 0.00 H new ATOM 0 HH22 ARG A 977 -13.568 10.094 2.781 1.00 0.00 H new ATOM 981 N ASP A 978 -7.567 13.637 -1.696 1.00 0.00 N ATOM 982 CA ASP A 978 -7.647 13.666 -3.152 1.00 0.00 C ATOM 983 C ASP A 978 -6.263 13.844 -3.769 1.00 0.00 C ATOM 984 O ASP A 978 -5.947 13.237 -4.791 1.00 0.00 O ATOM 985 CB ASP A 978 -8.573 14.794 -3.610 1.00 0.00 C ATOM 986 CG ASP A 978 -7.873 16.138 -3.647 1.00 0.00 C ATOM 987 OD1 ASP A 978 -7.540 16.664 -2.564 1.00 0.00 O ATOM 988 OD2 ASP A 978 -7.658 16.664 -4.759 1.00 0.00 O ATOM 0 H ASP A 978 -8.137 14.342 -1.228 1.00 0.00 H new ATOM 0 HA ASP A 978 -8.054 12.713 -3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -8.961 14.562 -4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -9.430 14.852 -2.939 1.00 0.00 H new ATOM 993 N GLU A 979 -5.444 14.682 -3.141 1.00 0.00 N ATOM 994 CA GLU A 979 -4.095 14.941 -3.630 1.00 0.00 C ATOM 995 C GLU A 979 -3.249 13.672 -3.591 1.00 0.00 C ATOM 996 O GLU A 979 -2.528 13.364 -4.540 1.00 0.00 O ATOM 997 CB GLU A 979 -3.428 16.038 -2.798 1.00 0.00 C ATOM 998 CG GLU A 979 -3.761 17.445 -3.266 1.00 0.00 C ATOM 999 CD GLU A 979 -3.425 18.499 -2.230 1.00 0.00 C ATOM 1000 OE1 GLU A 979 -2.279 18.500 -1.733 1.00 0.00 O ATOM 1001 OE2 GLU A 979 -4.308 19.325 -1.916 1.00 0.00 O ATOM 0 H GLU A 979 -5.691 15.193 -2.293 1.00 0.00 H new ATOM 0 HA GLU A 979 -4.170 15.275 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 979 -3.733 15.929 -1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 979 -2.347 15.900 -2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 979 -3.215 17.657 -4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 979 -4.823 17.502 -3.506 1.00 0.00 H new ATOM 1008 N ALA A 980 -3.342 12.940 -2.486 1.00 0.00 N ATOM 1009 CA ALA A 980 -2.587 11.704 -2.322 1.00 0.00 C ATOM 1010 C ALA A 980 -2.891 10.722 -3.448 1.00 0.00 C ATOM 1011 O ALA A 980 -1.981 10.178 -4.075 1.00 0.00 O ATOM 1012 CB ALA A 980 -2.894 11.073 -0.972 1.00 0.00 C ATOM 0 H ALA A 980 -3.933 13.182 -1.691 1.00 0.00 H new ATOM 0 HA ALA A 980 -1.525 11.948 -2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 980 -2.323 10.151 -0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 980 -2.620 11.765 -0.176 1.00 0.00 H new ATOM 0 HB3 ALA A 980 -3.959 10.850 -0.908 1.00 0.00 H new ATOM 1018 N THR A 981 -4.177 10.497 -3.700 1.00 0.00 N ATOM 1019 CA THR A 981 -4.601 9.579 -4.750 1.00 0.00 C ATOM 1020 C THR A 981 -4.180 10.083 -6.125 1.00 0.00 C ATOM 1021 O THR A 981 -3.699 9.316 -6.958 1.00 0.00 O ATOM 1022 CB THR A 981 -6.128 9.375 -4.735 1.00 0.00 C ATOM 1023 OG1 THR A 981 -6.565 9.037 -3.414 1.00 0.00 O ATOM 1024 CG2 THR A 981 -6.537 8.279 -5.707 1.00 0.00 C ATOM 0 H THR A 981 -4.943 10.938 -3.191 1.00 0.00 H new ATOM 0 HA THR A 981 -4.113 8.625 -4.551 1.00 0.00 H new ATOM 0 HB THR A 981 -6.600 10.308 -5.045 1.00 0.00 H new ATOM 0 HG1 THR A 981 -7.537 8.911 -3.413 1.00 0.00 H new ATOM 0 HG21 THR A 981 -7.619 8.153 -5.679 1.00 0.00 H new ATOM 0 HG22 THR A 981 -6.230 8.554 -6.716 1.00 0.00 H new ATOM 0 HG23 THR A 981 -6.055 7.343 -5.424 1.00 0.00 H new ATOM 1032 N ALA A 982 -4.364 11.379 -6.356 1.00 0.00 N ATOM 1033 CA ALA A 982 -4.000 11.987 -7.630 1.00 0.00 C ATOM 1034 C ALA A 982 -2.511 11.822 -7.912 1.00 0.00 C ATOM 1035 O ALA A 982 -2.111 11.524 -9.037 1.00 0.00 O ATOM 1036 CB ALA A 982 -4.382 13.459 -7.641 1.00 0.00 C ATOM 0 H ALA A 982 -4.763 12.028 -5.678 1.00 0.00 H new ATOM 0 HA ALA A 982 -4.551 11.475 -8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -4.104 13.900 -8.598 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -5.458 13.557 -7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -3.858 13.977 -6.838 1.00 0.00 H new ATOM 1042 N ALA A 983 -1.694 12.019 -6.882 1.00 0.00 N ATOM 1043 CA ALA A 983 -0.248 11.891 -7.019 1.00 0.00 C ATOM 1044 C ALA A 983 0.145 10.462 -7.380 1.00 0.00 C ATOM 1045 O ALA A 983 1.014 10.241 -8.223 1.00 0.00 O ATOM 1046 CB ALA A 983 0.444 12.322 -5.734 1.00 0.00 C ATOM 0 H ALA A 983 -2.009 12.268 -5.944 1.00 0.00 H new ATOM 0 HA ALA A 983 0.075 12.545 -7.829 1.00 0.00 H new ATOM 0 HB1 ALA A 983 1.523 12.221 -5.850 1.00 0.00 H new ATOM 0 HB2 ALA A 983 0.198 13.362 -5.519 1.00 0.00 H new ATOM 0 HB3 ALA A 983 0.108 11.692 -4.911 1.00 0.00 H new ATOM 1052 N VAL A 984 -0.501 9.495 -6.737 1.00 0.00 N ATOM 1053 CA VAL A 984 -0.219 8.087 -6.990 1.00 0.00 C ATOM 1054 C VAL A 984 -0.626 7.692 -8.405 1.00 0.00 C ATOM 1055 O VAL A 984 0.153 7.085 -9.140 1.00 0.00 O ATOM 1056 CB VAL A 984 -0.949 7.178 -5.984 1.00 0.00 C ATOM 1057 CG1 VAL A 984 -0.745 5.714 -6.341 1.00 0.00 C ATOM 1058 CG2 VAL A 984 -0.473 7.461 -4.568 1.00 0.00 C ATOM 0 H VAL A 984 -1.224 9.661 -6.037 1.00 0.00 H new ATOM 0 HA VAL A 984 0.856 7.953 -6.873 1.00 0.00 H new ATOM 0 HB VAL A 984 -2.016 7.394 -6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 984 -1.268 5.087 -5.619 1.00 0.00 H new ATOM 0 HG12 VAL A 984 -1.140 5.525 -7.339 1.00 0.00 H new ATOM 0 HG13 VAL A 984 0.319 5.480 -6.321 1.00 0.00 H new ATOM 0 HG21 VAL A 984 -0.999 6.810 -3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 984 0.599 7.275 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 984 -0.677 8.502 -4.317 1.00 0.00 H new ATOM 1068 N ILE A 985 -1.852 8.040 -8.781 1.00 0.00 N ATOM 1069 CA ILE A 985 -2.363 7.722 -10.109 1.00 0.00 C ATOM 1070 C ILE A 985 -1.485 8.333 -11.196 1.00 0.00 C ATOM 1071 O ILE A 985 -1.123 7.664 -12.164 1.00 0.00 O ATOM 1072 CB ILE A 985 -3.808 8.223 -10.291 1.00 0.00 C ATOM 1073 CG1 ILE A 985 -4.723 7.601 -9.233 1.00 0.00 C ATOM 1074 CG2 ILE A 985 -4.309 7.897 -11.690 1.00 0.00 C ATOM 1075 CD1 ILE A 985 -5.994 8.387 -8.997 1.00 0.00 C ATOM 0 H ILE A 985 -2.510 8.542 -8.185 1.00 0.00 H new ATOM 0 HA ILE A 985 -2.349 6.636 -10.201 1.00 0.00 H new ATOM 0 HB ILE A 985 -3.821 9.306 -10.165 1.00 0.00 H new ATOM 0 HG12 ILE A 985 -4.983 6.588 -9.539 1.00 0.00 H new ATOM 0 HG13 ILE A 985 -4.176 7.519 -8.294 1.00 0.00 H new ATOM 0 HG21 ILE A 985 -5.331 8.257 -11.803 1.00 0.00 H new ATOM 0 HG22 ILE A 985 -3.670 8.382 -12.428 1.00 0.00 H new ATOM 0 HG23 ILE A 985 -4.285 6.818 -11.843 1.00 0.00 H new ATOM 0 HD11 ILE A 985 -6.594 7.889 -8.236 1.00 0.00 H new ATOM 0 HD12 ILE A 985 -5.743 9.393 -8.660 1.00 0.00 H new ATOM 0 HD13 ILE A 985 -6.562 8.447 -9.925 1.00 0.00 H new ATOM 1087 N ASP A 986 -1.145 9.606 -11.028 1.00 0.00 N ATOM 1088 CA ASP A 986 -0.306 10.307 -11.994 1.00 0.00 C ATOM 1089 C ASP A 986 1.149 9.864 -11.872 1.00 0.00 C ATOM 1090 O ASP A 986 1.893 9.865 -12.854 1.00 0.00 O ATOM 1091 CB ASP A 986 -0.411 11.819 -11.789 1.00 0.00 C ATOM 1092 CG ASP A 986 -1.535 12.436 -12.598 1.00 0.00 C ATOM 1093 OD1 ASP A 986 -2.508 11.718 -12.905 1.00 0.00 O ATOM 1094 OD2 ASP A 986 -1.440 13.638 -12.924 1.00 0.00 O ATOM 0 H ASP A 986 -1.437 10.174 -10.233 1.00 0.00 H new ATOM 0 HA ASP A 986 -0.660 10.058 -12.995 1.00 0.00 H new ATOM 0 HB2 ASP A 986 -0.571 12.029 -10.731 1.00 0.00 H new ATOM 0 HB3 ASP A 986 0.533 12.287 -12.068 1.00 0.00 H new ATOM 1099 N LEU A 987 1.548 9.487 -10.663 1.00 0.00 N ATOM 1100 CA LEU A 987 2.914 9.042 -10.412 1.00 0.00 C ATOM 1101 C LEU A 987 2.957 7.543 -10.135 1.00 0.00 C ATOM 1102 O LEU A 987 3.832 7.059 -9.419 1.00 0.00 O ATOM 1103 CB LEU A 987 3.512 9.808 -9.230 1.00 0.00 C ATOM 1104 CG LEU A 987 3.305 11.323 -9.238 1.00 0.00 C ATOM 1105 CD1 LEU A 987 3.576 11.905 -7.860 1.00 0.00 C ATOM 1106 CD2 LEU A 987 4.198 11.978 -10.281 1.00 0.00 C ATOM 0 H LEU A 987 0.945 9.480 -9.840 1.00 0.00 H new ATOM 0 HA LEU A 987 3.505 9.244 -11.305 1.00 0.00 H new ATOM 0 HB2 LEU A 987 3.085 9.408 -8.310 1.00 0.00 H new ATOM 0 HB3 LEU A 987 4.583 9.608 -9.198 1.00 0.00 H new ATOM 0 HG LEU A 987 2.267 11.528 -9.499 1.00 0.00 H new ATOM 0 HD11 LEU A 987 3.424 12.984 -7.884 1.00 0.00 H new ATOM 0 HD12 LEU A 987 2.894 11.459 -7.136 1.00 0.00 H new ATOM 0 HD13 LEU A 987 4.605 11.690 -7.570 1.00 0.00 H new ATOM 0 HD21 LEU A 987 4.037 13.056 -10.272 1.00 0.00 H new ATOM 0 HD22 LEU A 987 5.242 11.765 -10.052 1.00 0.00 H new ATOM 0 HD23 LEU A 987 3.955 11.583 -11.267 1.00 0.00 H new ATOM 1118 N ASN A 988 2.007 6.813 -10.711 1.00 0.00 N ATOM 1119 CA ASN A 988 1.937 5.368 -10.528 1.00 0.00 C ATOM 1120 C ASN A 988 2.755 4.644 -11.593 1.00 0.00 C ATOM 1121 O ASN A 988 2.664 4.958 -12.780 1.00 0.00 O ATOM 1122 CB ASN A 988 0.483 4.896 -10.578 1.00 0.00 C ATOM 1123 CG ASN A 988 0.352 3.479 -11.102 1.00 0.00 C ATOM 1124 OD1 ASN A 988 0.123 3.264 -12.293 1.00 0.00 O ATOM 1125 ND2 ASN A 988 0.497 2.504 -10.213 1.00 0.00 N ATOM 0 H ASN A 988 1.275 7.198 -11.308 1.00 0.00 H new ATOM 0 HA ASN A 988 2.356 5.131 -9.550 1.00 0.00 H new ATOM 0 HB2 ASN A 988 0.051 4.952 -9.579 1.00 0.00 H new ATOM 0 HB3 ASN A 988 -0.093 5.570 -11.212 1.00 0.00 H new ATOM 0 HD21 ASN A 988 0.420 1.530 -10.507 1.00 0.00 H new ATOM 0 HD22 ASN A 988 0.686 2.728 -9.236 1.00 0.00 H new ATOM 1132 N ASP A 989 3.554 3.674 -11.161 1.00 0.00 N ATOM 1133 CA ASP A 989 4.387 2.905 -12.077 1.00 0.00 C ATOM 1134 C ASP A 989 5.261 3.826 -12.921 1.00 0.00 C ATOM 1135 O ASP A 989 5.401 3.631 -14.129 1.00 0.00 O ATOM 1136 CB ASP A 989 3.516 2.035 -12.984 1.00 0.00 C ATOM 1137 CG ASP A 989 4.335 1.096 -13.847 1.00 0.00 C ATOM 1138 OD1 ASP A 989 4.711 0.012 -13.353 1.00 0.00 O ATOM 1139 OD2 ASP A 989 4.600 1.444 -15.016 1.00 0.00 O ATOM 0 H ASP A 989 3.642 3.402 -10.182 1.00 0.00 H new ATOM 0 HA ASP A 989 5.037 2.261 -11.484 1.00 0.00 H new ATOM 0 HB2 ASP A 989 2.827 1.453 -12.372 1.00 0.00 H new ATOM 0 HB3 ASP A 989 2.910 2.676 -13.624 1.00 0.00 H new ATOM 1144 N ARG A 990 5.847 4.831 -12.278 1.00 0.00 N ATOM 1145 CA ARG A 990 6.705 5.784 -12.970 1.00 0.00 C ATOM 1146 C ARG A 990 8.147 5.287 -13.012 1.00 0.00 C ATOM 1147 O ARG A 990 8.722 4.889 -11.999 1.00 0.00 O ATOM 1148 CB ARG A 990 6.646 7.150 -12.283 1.00 0.00 C ATOM 1149 CG ARG A 990 5.557 8.059 -12.828 1.00 0.00 C ATOM 1150 CD ARG A 990 5.941 9.525 -12.705 1.00 0.00 C ATOM 1151 NE ARG A 990 6.902 9.927 -13.728 1.00 0.00 N ATOM 1152 CZ ARG A 990 6.557 10.288 -14.959 1.00 0.00 C ATOM 1153 NH1 ARG A 990 5.280 10.297 -15.317 1.00 0.00 N ATOM 1154 NH2 ARG A 990 7.489 10.641 -15.835 1.00 0.00 N ATOM 0 H ARG A 990 5.743 5.006 -11.279 1.00 0.00 H new ATOM 0 HA ARG A 990 6.342 5.883 -13.993 1.00 0.00 H new ATOM 0 HB2 ARG A 990 6.484 7.003 -11.215 1.00 0.00 H new ATOM 0 HB3 ARG A 990 7.611 7.645 -12.394 1.00 0.00 H new ATOM 0 HG2 ARG A 990 5.370 7.817 -13.874 1.00 0.00 H new ATOM 0 HG3 ARG A 990 4.627 7.879 -12.288 1.00 0.00 H new ATOM 0 HD2 ARG A 990 5.046 10.142 -12.786 1.00 0.00 H new ATOM 0 HD3 ARG A 990 6.365 9.707 -11.718 1.00 0.00 H new ATOM 0 HE ARG A 990 7.892 9.931 -13.484 1.00 0.00 H new ATOM 0 HH11 ARG A 990 4.560 10.026 -14.647 1.00 0.00 H new ATOM 0 HH12 ARG A 990 5.017 10.575 -16.263 1.00 0.00 H new ATOM 0 HH21 ARG A 990 8.472 10.635 -15.564 1.00 0.00 H new ATOM 0 HH22 ARG A 990 7.222 10.918 -16.780 1.00 0.00 H new ATOM 1168 N PRO A 991 8.746 5.308 -14.212 1.00 0.00 N ATOM 1169 CA PRO A 991 10.128 4.862 -14.415 1.00 0.00 C ATOM 1170 C PRO A 991 11.142 5.810 -13.783 1.00 0.00 C ATOM 1171 O PRO A 991 11.542 6.802 -14.394 1.00 0.00 O ATOM 1172 CB PRO A 991 10.279 4.857 -15.939 1.00 0.00 C ATOM 1173 CG PRO A 991 9.277 5.847 -16.422 1.00 0.00 C ATOM 1174 CD PRO A 991 8.121 5.769 -15.463 1.00 0.00 C ATOM 0 HA PRO A 991 10.316 3.894 -13.951 1.00 0.00 H new ATOM 0 HB2 PRO A 991 11.289 5.138 -16.238 1.00 0.00 H new ATOM 0 HB3 PRO A 991 10.088 3.867 -16.352 1.00 0.00 H new ATOM 0 HG2 PRO A 991 9.700 6.852 -16.443 1.00 0.00 H new ATOM 0 HG3 PRO A 991 8.957 5.615 -17.438 1.00 0.00 H new ATOM 0 HD2 PRO A 991 7.637 6.738 -15.337 1.00 0.00 H new ATOM 0 HD3 PRO A 991 7.357 5.074 -15.810 1.00 0.00 H new ATOM 1182 N ILE A 992 11.552 5.499 -12.559 1.00 0.00 N ATOM 1183 CA ILE A 992 12.520 6.323 -11.846 1.00 0.00 C ATOM 1184 C ILE A 992 13.943 5.825 -12.077 1.00 0.00 C ATOM 1185 O ILE A 992 14.252 4.661 -11.826 1.00 0.00 O ATOM 1186 CB ILE A 992 12.236 6.344 -10.332 1.00 0.00 C ATOM 1187 CG1 ILE A 992 11.034 7.241 -10.029 1.00 0.00 C ATOM 1188 CG2 ILE A 992 13.463 6.819 -9.569 1.00 0.00 C ATOM 1189 CD1 ILE A 992 10.765 7.413 -8.551 1.00 0.00 C ATOM 0 H ILE A 992 11.229 4.682 -12.040 1.00 0.00 H new ATOM 0 HA ILE A 992 12.423 7.335 -12.240 1.00 0.00 H new ATOM 0 HB ILE A 992 12.001 5.330 -10.008 1.00 0.00 H new ATOM 0 HG12 ILE A 992 11.201 8.221 -10.476 1.00 0.00 H new ATOM 0 HG13 ILE A 992 10.148 6.820 -10.505 1.00 0.00 H new ATOM 0 HG21 ILE A 992 13.246 6.828 -8.501 1.00 0.00 H new ATOM 0 HG22 ILE A 992 14.297 6.144 -9.764 1.00 0.00 H new ATOM 0 HG23 ILE A 992 13.727 7.825 -9.894 1.00 0.00 H new ATOM 0 HD11 ILE A 992 9.899 8.061 -8.412 1.00 0.00 H new ATOM 0 HD12 ILE A 992 10.566 6.440 -8.102 1.00 0.00 H new ATOM 0 HD13 ILE A 992 11.635 7.863 -8.073 1.00 0.00 H new ATOM 1201 N GLY A 993 14.805 6.716 -12.557 1.00 0.00 N ATOM 1202 CA GLY A 993 16.186 6.349 -12.813 1.00 0.00 C ATOM 1203 C GLY A 993 16.309 5.229 -13.827 1.00 0.00 C ATOM 1204 O GLY A 993 16.397 5.479 -15.030 1.00 0.00 O ATOM 0 H GLY A 993 14.572 7.685 -12.773 1.00 0.00 H new ATOM 0 HA2 GLY A 993 16.730 7.222 -13.173 1.00 0.00 H new ATOM 0 HA3 GLY A 993 16.657 6.043 -11.879 1.00 0.00 H new ATOM 1208 N SER A 994 16.318 3.991 -13.343 1.00 0.00 N ATOM 1209 CA SER A 994 16.438 2.830 -14.216 1.00 0.00 C ATOM 1210 C SER A 994 15.376 1.787 -13.880 1.00 0.00 C ATOM 1211 O SER A 994 15.269 0.757 -14.547 1.00 0.00 O ATOM 1212 CB SER A 994 17.832 2.212 -14.090 1.00 0.00 C ATOM 1213 OG SER A 994 18.069 1.275 -15.126 1.00 0.00 O ATOM 0 H SER A 994 16.244 3.767 -12.351 1.00 0.00 H new ATOM 0 HA SER A 994 16.287 3.161 -15.243 1.00 0.00 H new ATOM 0 HB2 SER A 994 18.586 2.998 -14.126 1.00 0.00 H new ATOM 0 HB3 SER A 994 17.930 1.721 -13.122 1.00 0.00 H new ATOM 0 HG SER A 994 17.257 0.751 -15.285 1.00 0.00 H new ATOM 1219 N ARG A 995 14.592 2.062 -12.842 1.00 0.00 N ATOM 1220 CA ARG A 995 13.539 1.148 -12.417 1.00 0.00 C ATOM 1221 C ARG A 995 12.240 1.902 -12.151 1.00 0.00 C ATOM 1222 O ARG A 995 12.253 3.093 -11.838 1.00 0.00 O ATOM 1223 CB ARG A 995 13.969 0.391 -11.159 1.00 0.00 C ATOM 1224 CG ARG A 995 15.361 -0.212 -11.256 1.00 0.00 C ATOM 1225 CD ARG A 995 15.644 -1.150 -10.093 1.00 0.00 C ATOM 1226 NE ARG A 995 15.151 -2.501 -10.348 1.00 0.00 N ATOM 1227 CZ ARG A 995 15.633 -3.584 -9.749 1.00 0.00 C ATOM 1228 NH1 ARG A 995 16.616 -3.475 -8.865 1.00 0.00 N ATOM 1229 NH2 ARG A 995 15.133 -4.780 -10.033 1.00 0.00 N ATOM 0 H ARG A 995 14.666 2.910 -12.280 1.00 0.00 H new ATOM 0 HA ARG A 995 13.366 0.433 -13.221 1.00 0.00 H new ATOM 0 HB2 ARG A 995 13.935 1.070 -10.307 1.00 0.00 H new ATOM 0 HB3 ARG A 995 13.251 -0.405 -10.961 1.00 0.00 H new ATOM 0 HG2 ARG A 995 15.458 -0.756 -12.196 1.00 0.00 H new ATOM 0 HG3 ARG A 995 16.104 0.585 -11.271 1.00 0.00 H new ATOM 0 HD2 ARG A 995 16.718 -1.185 -9.908 1.00 0.00 H new ATOM 0 HD3 ARG A 995 15.177 -0.758 -9.189 1.00 0.00 H new ATOM 0 HE ARG A 995 14.395 -2.619 -11.023 1.00 0.00 H new ATOM 0 HH11 ARG A 995 17.004 -2.558 -8.644 1.00 0.00 H new ATOM 0 HH12 ARG A 995 16.984 -4.308 -8.406 1.00 0.00 H new ATOM 0 HH21 ARG A 995 14.377 -4.869 -10.712 1.00 0.00 H new ATOM 0 HH22 ARG A 995 15.504 -5.611 -9.572 1.00 0.00 H new ATOM 1243 N LYS A 996 11.118 1.201 -12.278 1.00 0.00 N ATOM 1244 CA LYS A 996 9.809 1.802 -12.051 1.00 0.00 C ATOM 1245 C LYS A 996 9.405 1.688 -10.584 1.00 0.00 C ATOM 1246 O LYS A 996 9.645 0.666 -9.942 1.00 0.00 O ATOM 1247 CB LYS A 996 8.756 1.130 -12.935 1.00 0.00 C ATOM 1248 CG LYS A 996 8.980 1.350 -14.421 1.00 0.00 C ATOM 1249 CD LYS A 996 8.275 0.292 -15.253 1.00 0.00 C ATOM 1250 CE LYS A 996 8.888 0.174 -16.640 1.00 0.00 C ATOM 1251 NZ LYS A 996 8.219 -0.878 -17.455 1.00 0.00 N ATOM 0 H LYS A 996 11.089 0.215 -12.537 1.00 0.00 H new ATOM 0 HA LYS A 996 9.872 2.859 -12.311 1.00 0.00 H new ATOM 0 HB2 LYS A 996 8.752 0.059 -12.731 1.00 0.00 H new ATOM 0 HB3 LYS A 996 7.771 1.509 -12.664 1.00 0.00 H new ATOM 0 HG2 LYS A 996 8.616 2.338 -14.703 1.00 0.00 H new ATOM 0 HG3 LYS A 996 10.048 1.331 -14.636 1.00 0.00 H new ATOM 0 HD2 LYS A 996 8.334 -0.671 -14.745 1.00 0.00 H new ATOM 0 HD3 LYS A 996 7.218 0.542 -15.341 1.00 0.00 H new ATOM 0 HE2 LYS A 996 8.813 1.133 -17.153 1.00 0.00 H new ATOM 0 HE3 LYS A 996 9.949 -0.057 -16.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 996 8.666 -0.927 -18.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 996 8.312 -1.798 -16.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 996 7.211 -0.645 -17.563 1.00 0.00 H new ATOM 1265 N VAL A 997 8.789 2.743 -10.061 1.00 0.00 N ATOM 1266 CA VAL A 997 8.349 2.761 -8.671 1.00 0.00 C ATOM 1267 C VAL A 997 6.857 2.467 -8.564 1.00 0.00 C ATOM 1268 O VAL A 997 6.085 2.778 -9.471 1.00 0.00 O ATOM 1269 CB VAL A 997 8.644 4.118 -8.006 1.00 0.00 C ATOM 1270 CG1 VAL A 997 10.126 4.247 -7.689 1.00 0.00 C ATOM 1271 CG2 VAL A 997 8.180 5.260 -8.897 1.00 0.00 C ATOM 0 H VAL A 997 8.583 3.597 -10.579 1.00 0.00 H new ATOM 0 HA VAL A 997 8.908 1.983 -8.152 1.00 0.00 H new ATOM 0 HB VAL A 997 8.091 4.171 -7.068 1.00 0.00 H new ATOM 0 HG11 VAL A 997 10.315 5.212 -7.220 1.00 0.00 H new ATOM 0 HG12 VAL A 997 10.424 3.449 -7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 997 10.703 4.173 -8.611 1.00 0.00 H new ATOM 0 HG21 VAL A 997 8.396 6.211 -8.411 1.00 0.00 H new ATOM 0 HG22 VAL A 997 8.704 5.213 -9.852 1.00 0.00 H new ATOM 0 HG23 VAL A 997 7.107 5.175 -9.067 1.00 0.00 H new ATOM 1281 N LYS A 998 6.457 1.867 -7.448 1.00 0.00 N ATOM 1282 CA LYS A 998 5.056 1.533 -7.219 1.00 0.00 C ATOM 1283 C LYS A 998 4.485 2.344 -6.060 1.00 0.00 C ATOM 1284 O LYS A 998 5.069 2.393 -4.976 1.00 0.00 O ATOM 1285 CB LYS A 998 4.908 0.037 -6.930 1.00 0.00 C ATOM 1286 CG LYS A 998 3.563 -0.533 -7.345 1.00 0.00 C ATOM 1287 CD LYS A 998 2.440 -0.010 -6.465 1.00 0.00 C ATOM 1288 CE LYS A 998 1.219 -0.915 -6.522 1.00 0.00 C ATOM 1289 NZ LYS A 998 1.462 -2.217 -5.840 1.00 0.00 N ATOM 0 H LYS A 998 7.083 1.602 -6.688 1.00 0.00 H new ATOM 0 HA LYS A 998 4.497 1.780 -8.122 1.00 0.00 H new ATOM 0 HB2 LYS A 998 5.698 -0.505 -7.449 1.00 0.00 H new ATOM 0 HB3 LYS A 998 5.052 -0.134 -5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 998 3.362 -0.274 -8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 998 3.595 -1.621 -7.288 1.00 0.00 H new ATOM 0 HD2 LYS A 998 2.789 0.067 -5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 998 2.164 0.995 -6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 998 0.372 -0.412 -6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 998 0.948 -1.095 -7.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 998 0.551 -2.666 -5.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 998 2.009 -2.841 -6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 998 1.995 -2.055 -4.962 1.00 0.00 H new ATOM 1303 N LEU A 999 3.342 2.978 -6.294 1.00 0.00 N ATOM 1304 CA LEU A 999 2.691 3.786 -5.268 1.00 0.00 C ATOM 1305 C LEU A 999 1.396 3.130 -4.799 1.00 0.00 C ATOM 1306 O LEU A 999 0.543 2.767 -5.608 1.00 0.00 O ATOM 1307 CB LEU A 999 2.401 5.189 -5.805 1.00 0.00 C ATOM 1308 CG LEU A 999 3.620 6.072 -6.068 1.00 0.00 C ATOM 1309 CD1 LEU A 999 3.226 7.298 -6.877 1.00 0.00 C ATOM 1310 CD2 LEU A 999 4.274 6.484 -4.758 1.00 0.00 C ATOM 0 H LEU A 999 2.846 2.949 -7.185 1.00 0.00 H new ATOM 0 HA LEU A 999 3.367 3.862 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 999 1.841 5.092 -6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 999 1.753 5.701 -5.094 1.00 0.00 H new ATOM 0 HG LEU A 999 4.343 5.496 -6.646 1.00 0.00 H new ATOM 0 HD11 LEU A 999 4.107 7.915 -7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 999 2.804 6.984 -7.832 1.00 0.00 H new ATOM 0 HD13 LEU A 999 2.484 7.875 -6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 999 5.140 7.112 -4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 999 3.558 7.041 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 999 4.593 5.594 -4.215 1.00 0.00 H new ATOM 1322 N VAL A1000 1.256 2.984 -3.485 1.00 0.00 N ATOM 1323 CA VAL A1000 0.064 2.375 -2.907 1.00 0.00 C ATOM 1324 C VAL A1000 -0.603 3.314 -1.908 1.00 0.00 C ATOM 1325 O VAL A1000 0.069 3.967 -1.108 1.00 0.00 O ATOM 1326 CB VAL A1000 0.397 1.047 -2.202 1.00 0.00 C ATOM 1327 CG1 VAL A1000 -0.853 0.443 -1.582 1.00 0.00 C ATOM 1328 CG2 VAL A1000 1.042 0.074 -3.177 1.00 0.00 C ATOM 0 H VAL A1000 1.953 3.279 -2.801 1.00 0.00 H new ATOM 0 HA VAL A1000 -0.622 2.178 -3.731 1.00 0.00 H new ATOM 0 HB VAL A1000 1.109 1.249 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A1000 -0.598 -0.495 -1.089 1.00 0.00 H new ATOM 0 HG12 VAL A1000 -1.268 1.137 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A1000 -1.591 0.254 -2.362 1.00 0.00 H new ATOM 0 HG21 VAL A1000 1.271 -0.859 -2.662 1.00 0.00 H new ATOM 0 HG22 VAL A1000 0.356 -0.125 -4.000 1.00 0.00 H new ATOM 0 HG23 VAL A1000 1.962 0.507 -3.568 1.00 0.00 H new ATOM 1338 N LEU A1001 -1.929 3.378 -1.960 1.00 0.00 N ATOM 1339 CA LEU A1001 -2.689 4.237 -1.059 1.00 0.00 C ATOM 1340 C LEU A1001 -2.673 3.685 0.363 1.00 0.00 C ATOM 1341 O LEU A1001 -2.880 2.492 0.579 1.00 0.00 O ATOM 1342 CB LEU A1001 -4.132 4.374 -1.548 1.00 0.00 C ATOM 1343 CG LEU A1001 -4.399 5.505 -2.543 1.00 0.00 C ATOM 1344 CD1 LEU A1001 -5.733 5.296 -3.243 1.00 0.00 C ATOM 1345 CD2 LEU A1001 -4.370 6.853 -1.838 1.00 0.00 C ATOM 0 H LEU A1001 -2.500 2.845 -2.616 1.00 0.00 H new ATOM 0 HA LEU A1001 -2.219 5.220 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A1001 -4.429 3.433 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A1001 -4.776 4.520 -0.681 1.00 0.00 H new ATOM 0 HG LEU A1001 -3.611 5.494 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A1001 -5.906 6.110 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A1001 -5.717 4.348 -3.781 1.00 0.00 H new ATOM 0 HD13 LEU A1001 -6.533 5.280 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A1001 -4.562 7.646 -2.561 1.00 0.00 H new ATOM 0 HD22 LEU A1001 -5.136 6.875 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A1001 -3.391 7.005 -1.384 1.00 0.00 H new ATOM 1357 N GLY A1002 -2.428 4.564 1.331 1.00 0.00 N ATOM 1358 CA GLY A1002 -2.392 4.146 2.720 1.00 0.00 C ATOM 1359 C GLY A1002 -3.688 3.499 3.165 1.00 0.00 C ATOM 1360 O GLY A1002 -4.532 3.152 2.339 1.00 0.00 O ATOM 0 H GLY A1002 -2.254 5.557 1.178 1.00 0.00 H new ATOM 0 HA2 GLY A1002 -1.571 3.444 2.864 1.00 0.00 H new ATOM 0 HA3 GLY A1002 -2.186 5.011 3.351 1.00 0.00 H new