USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=17 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 -130:sc= -0.159 USER MOD Single : A 929 LYS NZ :NH3+ -164:sc= -0.0191 (180deg=-0.183) USER MOD Single : A 931 GLN : amide:sc= -2.35! C(o=-2.4!,f=-1.9!) USER MOD Single : A 932 ASN : amide:sc= -0.975 X(o=-0.98,f=-0.78) USER MOD Single : A 933 MET CE :methyl -178:sc= -1.42 (180deg=-1.6) USER MOD Single : A 936 THR OG1 : rot 180:sc= 0 USER MOD Single : A 938 SER OG : rot 68:sc= 0.00807 USER MOD Single : A 947 TYR OH : rot 180:sc= 0 USER MOD Single : A 949 TYR OH : rot 180:sc=-0.00252 USER MOD Single : A 950 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 955 SER OG : rot -103:sc= 0.886 USER MOD Single : A 957 CYS SG : rot 63:sc= 0.943 USER MOD Single : A 959 LYS NZ :NH3+ -112:sc= -0.596 (180deg=-2.04!) USER MOD Single : A 960 TYR OH : rot 180:sc= 0 USER MOD Single : A 961 ASN : amide:sc= -1.89 K(o=-1.9,f=-4.6!) USER MOD Single : A 963 LYS NZ :NH3+ -155:sc= -0.0854 (180deg=-0.503) USER MOD Single : A 965 MET CE :methyl -137:sc= -0.156 (180deg=-0.756) USER MOD Single : A 967 THR OG1 : rot 180:sc= 0 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= -0.503 X(o=-0.5,f=-0.079) USER MOD Single : A 994 SER OG : rot 180:sc= 0 USER MOD Single : A 996 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 998 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N PRO A 925 -3.582 13.149 7.663 1.00 0.00 N ATOM 149 CA PRO A 925 -3.194 13.166 6.249 1.00 0.00 C ATOM 150 C PRO A 925 -3.117 11.765 5.653 1.00 0.00 C ATOM 151 O PRO A 925 -3.211 10.767 6.369 1.00 0.00 O ATOM 152 CB PRO A 925 -1.809 13.817 6.268 1.00 0.00 C ATOM 153 CG PRO A 925 -1.279 13.538 7.632 1.00 0.00 C ATOM 154 CD PRO A 925 -2.471 13.538 8.548 1.00 0.00 C ATOM 0 HA PRO A 925 -3.920 13.697 5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 925 -1.163 13.396 5.498 1.00 0.00 H new ATOM 0 HB3 PRO A 925 -1.872 14.889 6.079 1.00 0.00 H new ATOM 0 HG2 PRO A 925 -0.764 12.578 7.662 1.00 0.00 H new ATOM 0 HG3 PRO A 925 -0.556 14.297 7.932 1.00 0.00 H new ATOM 0 HD2 PRO A 925 -2.346 12.833 9.370 1.00 0.00 H new ATOM 0 HD3 PRO A 925 -2.636 14.519 8.992 1.00 0.00 H new ATOM 162 N THR A 926 -2.943 11.695 4.336 1.00 0.00 N ATOM 163 CA THR A 926 -2.853 10.416 3.643 1.00 0.00 C ATOM 164 C THR A 926 -1.400 9.992 3.459 1.00 0.00 C ATOM 165 O THR A 926 -0.608 10.708 2.845 1.00 0.00 O ATOM 166 CB THR A 926 -3.538 10.474 2.265 1.00 0.00 C ATOM 167 OG1 THR A 926 -4.897 10.900 2.411 1.00 0.00 O ATOM 168 CG2 THR A 926 -3.497 9.115 1.583 1.00 0.00 C ATOM 0 H THR A 926 -2.862 12.510 3.728 1.00 0.00 H new ATOM 0 HA THR A 926 -3.367 9.683 4.265 1.00 0.00 H new ATOM 0 HB THR A 926 -2.998 11.190 1.645 1.00 0.00 H new ATOM 0 HG1 THR A 926 -5.487 10.284 1.928 1.00 0.00 H new ATOM 0 HG21 THR A 926 -3.987 9.181 0.611 1.00 0.00 H new ATOM 0 HG22 THR A 926 -2.460 8.807 1.447 1.00 0.00 H new ATOM 0 HG23 THR A 926 -4.015 8.382 2.201 1.00 0.00 H new ATOM 176 N ILE A 927 -1.057 8.825 3.993 1.00 0.00 N ATOM 177 CA ILE A 927 0.300 8.305 3.885 1.00 0.00 C ATOM 178 C ILE A 927 0.449 7.407 2.662 1.00 0.00 C ATOM 179 O ILE A 927 -0.334 6.478 2.462 1.00 0.00 O ATOM 180 CB ILE A 927 0.701 7.512 5.143 1.00 0.00 C ATOM 181 CG1 ILE A 927 0.657 8.415 6.377 1.00 0.00 C ATOM 182 CG2 ILE A 927 2.087 6.909 4.969 1.00 0.00 C ATOM 183 CD1 ILE A 927 1.900 9.259 6.553 1.00 0.00 C ATOM 0 H ILE A 927 -1.700 8.221 4.505 1.00 0.00 H new ATOM 0 HA ILE A 927 0.961 9.166 3.783 1.00 0.00 H new ATOM 0 HB ILE A 927 -0.012 6.700 5.286 1.00 0.00 H new ATOM 0 HG12 ILE A 927 -0.211 9.071 6.306 1.00 0.00 H new ATOM 0 HG13 ILE A 927 0.518 7.797 7.264 1.00 0.00 H new ATOM 0 HG21 ILE A 927 2.357 6.352 5.866 1.00 0.00 H new ATOM 0 HG22 ILE A 927 2.086 6.237 4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 927 2.813 7.706 4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 927 1.799 9.874 7.447 1.00 0.00 H new ATOM 0 HD12 ILE A 927 2.769 8.609 6.656 1.00 0.00 H new ATOM 0 HD13 ILE A 927 2.029 9.903 5.683 1.00 0.00 H new ATOM 195 N ILE A 928 1.460 7.689 1.847 1.00 0.00 N ATOM 196 CA ILE A 928 1.714 6.904 0.645 1.00 0.00 C ATOM 197 C ILE A 928 2.914 5.983 0.833 1.00 0.00 C ATOM 198 O ILE A 928 3.854 6.308 1.559 1.00 0.00 O ATOM 199 CB ILE A 928 1.963 7.810 -0.576 1.00 0.00 C ATOM 200 CG1 ILE A 928 0.679 8.549 -0.960 1.00 0.00 C ATOM 201 CG2 ILE A 928 2.478 6.988 -1.748 1.00 0.00 C ATOM 202 CD1 ILE A 928 0.867 9.540 -2.087 1.00 0.00 C ATOM 0 H ILE A 928 2.116 8.455 1.997 1.00 0.00 H new ATOM 0 HA ILE A 928 0.822 6.303 0.466 1.00 0.00 H new ATOM 0 HB ILE A 928 2.721 8.549 -0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 928 -0.077 7.820 -1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 928 0.296 9.074 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 928 2.649 7.642 -2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 928 3.413 6.503 -1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 928 1.741 6.230 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 928 -0.084 10.026 -2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 928 1.600 10.291 -1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 928 1.220 9.017 -2.976 1.00 0.00 H new ATOM 214 N LYS A 929 2.877 4.830 0.173 1.00 0.00 N ATOM 215 CA LYS A 929 3.962 3.860 0.264 1.00 0.00 C ATOM 216 C LYS A 929 4.646 3.682 -1.088 1.00 0.00 C ATOM 217 O LYS A 929 4.008 3.313 -2.074 1.00 0.00 O ATOM 218 CB LYS A 929 3.431 2.514 0.761 1.00 0.00 C ATOM 219 CG LYS A 929 3.432 2.380 2.274 1.00 0.00 C ATOM 220 CD LYS A 929 3.323 0.928 2.705 1.00 0.00 C ATOM 221 CE LYS A 929 1.905 0.403 2.541 1.00 0.00 C ATOM 222 NZ LYS A 929 0.973 1.003 3.535 1.00 0.00 N ATOM 0 H LYS A 929 2.106 4.544 -0.431 1.00 0.00 H new ATOM 0 HA LYS A 929 4.696 4.238 0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 929 2.414 2.376 0.393 1.00 0.00 H new ATOM 0 HB3 LYS A 929 4.036 1.714 0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 929 4.347 2.813 2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 929 2.600 2.948 2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 929 4.008 0.320 2.114 1.00 0.00 H new ATOM 0 HD3 LYS A 929 3.629 0.833 3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 929 1.551 0.621 1.533 1.00 0.00 H new ATOM 0 HE3 LYS A 929 1.904 -0.681 2.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 0.100 0.439 3.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 1.424 1.013 4.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 0.743 1.977 3.251 1.00 0.00 H new ATOM 236 N VAL A 930 5.949 3.944 -1.126 1.00 0.00 N ATOM 237 CA VAL A 930 6.720 3.809 -2.356 1.00 0.00 C ATOM 238 C VAL A 930 7.599 2.564 -2.320 1.00 0.00 C ATOM 239 O VAL A 930 8.334 2.339 -1.359 1.00 0.00 O ATOM 240 CB VAL A 930 7.608 5.044 -2.600 1.00 0.00 C ATOM 241 CG1 VAL A 930 8.224 4.992 -3.989 1.00 0.00 C ATOM 242 CG2 VAL A 930 6.806 6.322 -2.411 1.00 0.00 C ATOM 0 H VAL A 930 6.492 4.251 -0.319 1.00 0.00 H new ATOM 0 HA VAL A 930 6.002 3.720 -3.171 1.00 0.00 H new ATOM 0 HB VAL A 930 8.417 5.039 -1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 930 8.848 5.872 -4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 930 8.834 4.094 -4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 930 7.432 4.973 -4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 930 7.449 7.184 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 930 5.976 6.338 -3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 930 6.418 6.361 -1.393 1.00 0.00 H new ATOM 252 N GLN A 931 7.517 1.758 -3.374 1.00 0.00 N ATOM 253 CA GLN A 931 8.305 0.535 -3.463 1.00 0.00 C ATOM 254 C GLN A 931 8.947 0.399 -4.839 1.00 0.00 C ATOM 255 O GLN A 931 8.634 1.155 -5.758 1.00 0.00 O ATOM 256 CB GLN A 931 7.428 -0.684 -3.174 1.00 0.00 C ATOM 257 CG GLN A 931 8.105 -1.728 -2.299 1.00 0.00 C ATOM 258 CD GLN A 931 8.907 -2.732 -3.104 1.00 0.00 C ATOM 259 OE1 GLN A 931 8.377 -3.394 -3.997 1.00 0.00 O ATOM 260 NE2 GLN A 931 10.192 -2.851 -2.791 1.00 0.00 N ATOM 0 H GLN A 931 6.913 1.930 -4.178 1.00 0.00 H new ATOM 0 HA GLN A 931 9.098 0.589 -2.717 1.00 0.00 H new ATOM 0 HB2 GLN A 931 6.510 -0.354 -2.687 1.00 0.00 H new ATOM 0 HB3 GLN A 931 7.139 -1.145 -4.118 1.00 0.00 H new ATOM 0 HG2 GLN A 931 8.763 -1.229 -1.588 1.00 0.00 H new ATOM 0 HG3 GLN A 931 7.349 -2.255 -1.718 1.00 0.00 H new ATOM 0 HE21 GLN A 931 10.590 -2.282 -2.044 1.00 0.00 H new ATOM 0 HE22 GLN A 931 10.781 -3.511 -3.298 1.00 0.00 H new ATOM 269 N ASN A 932 9.848 -0.569 -4.974 1.00 0.00 N ATOM 270 CA ASN A 932 10.535 -0.803 -6.239 1.00 0.00 C ATOM 271 C ASN A 932 11.405 0.393 -6.615 1.00 0.00 C ATOM 272 O ASN A 932 11.336 0.896 -7.736 1.00 0.00 O ATOM 273 CB ASN A 932 9.521 -1.079 -7.351 1.00 0.00 C ATOM 274 CG ASN A 932 10.098 -1.937 -8.460 1.00 0.00 C ATOM 275 OD1 ASN A 932 9.548 -2.985 -8.799 1.00 0.00 O ATOM 276 ND2 ASN A 932 11.212 -1.495 -9.031 1.00 0.00 N ATOM 0 H ASN A 932 10.119 -1.204 -4.223 1.00 0.00 H new ATOM 0 HA ASN A 932 11.178 -1.675 -6.118 1.00 0.00 H new ATOM 0 HB2 ASN A 932 8.648 -1.576 -6.928 1.00 0.00 H new ATOM 0 HB3 ASN A 932 9.178 -0.133 -7.769 1.00 0.00 H new ATOM 0 HD21 ASN A 932 11.647 -2.030 -9.783 1.00 0.00 H new ATOM 0 HD22 ASN A 932 11.633 -0.621 -8.718 1.00 0.00 H new ATOM 283 N MET A 933 12.224 0.841 -5.670 1.00 0.00 N ATOM 284 CA MET A 933 13.110 1.977 -5.902 1.00 0.00 C ATOM 285 C MET A 933 14.572 1.555 -5.800 1.00 0.00 C ATOM 286 O MET A 933 14.999 0.938 -4.824 1.00 0.00 O ATOM 287 CB MET A 933 12.817 3.093 -4.898 1.00 0.00 C ATOM 288 CG MET A 933 11.783 4.094 -5.386 1.00 0.00 C ATOM 289 SD MET A 933 11.710 5.574 -4.359 1.00 0.00 S ATOM 290 CE MET A 933 11.914 4.865 -2.727 1.00 0.00 C ATOM 0 H MET A 933 12.293 0.436 -4.737 1.00 0.00 H new ATOM 0 HA MET A 933 12.927 2.349 -6.910 1.00 0.00 H new ATOM 0 HB2 MET A 933 12.469 2.649 -3.965 1.00 0.00 H new ATOM 0 HB3 MET A 933 13.744 3.621 -4.673 1.00 0.00 H new ATOM 0 HG2 MET A 933 12.015 4.380 -6.412 1.00 0.00 H new ATOM 0 HG3 MET A 933 10.802 3.619 -5.402 1.00 0.00 H new ATOM 0 HE1 MET A 933 11.855 5.654 -1.977 1.00 0.00 H new ATOM 0 HE2 MET A 933 11.126 4.134 -2.547 1.00 0.00 H new ATOM 0 HE3 MET A 933 12.885 4.375 -2.662 1.00 0.00 H new ATOM 300 N PRO A 934 15.360 1.896 -6.831 1.00 0.00 N ATOM 301 CA PRO A 934 16.787 1.563 -6.880 1.00 0.00 C ATOM 302 C PRO A 934 17.603 2.357 -5.866 1.00 0.00 C ATOM 303 O PRO A 934 17.080 3.245 -5.192 1.00 0.00 O ATOM 304 CB PRO A 934 17.191 1.942 -8.307 1.00 0.00 C ATOM 305 CG PRO A 934 16.210 2.987 -8.713 1.00 0.00 C ATOM 306 CD PRO A 934 14.920 2.632 -8.027 1.00 0.00 C ATOM 0 HA PRO A 934 16.970 0.517 -6.634 1.00 0.00 H new ATOM 0 HB2 PRO A 934 18.212 2.322 -8.342 1.00 0.00 H new ATOM 0 HB3 PRO A 934 17.149 1.080 -8.973 1.00 0.00 H new ATOM 0 HG2 PRO A 934 16.550 3.979 -8.415 1.00 0.00 H new ATOM 0 HG3 PRO A 934 16.084 3.005 -9.796 1.00 0.00 H new ATOM 0 HD2 PRO A 934 14.347 3.521 -7.763 1.00 0.00 H new ATOM 0 HD3 PRO A 934 14.282 2.019 -8.664 1.00 0.00 H new ATOM 314 N PHE A 935 18.888 2.034 -5.764 1.00 0.00 N ATOM 315 CA PHE A 935 19.777 2.718 -4.831 1.00 0.00 C ATOM 316 C PHE A 935 19.968 4.177 -5.233 1.00 0.00 C ATOM 317 O PHE A 935 20.040 5.064 -4.382 1.00 0.00 O ATOM 318 CB PHE A 935 21.133 2.011 -4.774 1.00 0.00 C ATOM 319 CG PHE A 935 21.026 0.514 -4.706 1.00 0.00 C ATOM 320 CD1 PHE A 935 20.367 -0.099 -3.653 1.00 0.00 C ATOM 321 CD2 PHE A 935 21.585 -0.279 -5.695 1.00 0.00 C ATOM 322 CE1 PHE A 935 20.268 -1.476 -3.587 1.00 0.00 C ATOM 323 CE2 PHE A 935 21.489 -1.657 -5.635 1.00 0.00 C ATOM 324 CZ PHE A 935 20.829 -2.256 -4.580 1.00 0.00 C ATOM 0 H PHE A 935 19.337 1.303 -6.316 1.00 0.00 H new ATOM 0 HA PHE A 935 19.318 2.689 -3.843 1.00 0.00 H new ATOM 0 HB2 PHE A 935 21.715 2.286 -5.654 1.00 0.00 H new ATOM 0 HB3 PHE A 935 21.684 2.368 -3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 935 19.926 0.506 -2.875 1.00 0.00 H new ATOM 0 HD2 PHE A 935 22.102 0.185 -6.522 1.00 0.00 H new ATOM 0 HE1 PHE A 935 19.753 -1.942 -2.760 1.00 0.00 H new ATOM 0 HE2 PHE A 935 21.930 -2.264 -6.412 1.00 0.00 H new ATOM 0 HZ PHE A 935 20.752 -3.332 -4.531 1.00 0.00 H new ATOM 334 N THR A 936 20.049 4.420 -6.538 1.00 0.00 N ATOM 335 CA THR A 936 20.234 5.770 -7.055 1.00 0.00 C ATOM 336 C THR A 936 19.214 6.732 -6.456 1.00 0.00 C ATOM 337 O THR A 936 19.490 7.920 -6.287 1.00 0.00 O ATOM 338 CB THR A 936 20.115 5.805 -8.590 1.00 0.00 C ATOM 339 OG1 THR A 936 18.802 5.398 -8.990 1.00 0.00 O ATOM 340 CG2 THR A 936 21.152 4.896 -9.234 1.00 0.00 C ATOM 0 H THR A 936 19.989 3.698 -7.256 1.00 0.00 H new ATOM 0 HA THR A 936 21.238 6.083 -6.769 1.00 0.00 H new ATOM 0 HB THR A 936 20.294 6.827 -8.923 1.00 0.00 H new ATOM 0 HG1 THR A 936 18.735 5.425 -9.967 1.00 0.00 H new ATOM 0 HG21 THR A 936 21.049 4.937 -10.318 1.00 0.00 H new ATOM 0 HG22 THR A 936 22.151 5.227 -8.952 1.00 0.00 H new ATOM 0 HG23 THR A 936 21.000 3.872 -8.894 1.00 0.00 H new ATOM 348 N VAL A 937 18.034 6.211 -6.134 1.00 0.00 N ATOM 349 CA VAL A 937 16.973 7.024 -5.552 1.00 0.00 C ATOM 350 C VAL A 937 17.476 7.795 -4.336 1.00 0.00 C ATOM 351 O VAL A 937 18.011 7.209 -3.395 1.00 0.00 O ATOM 352 CB VAL A 937 15.768 6.160 -5.135 1.00 0.00 C ATOM 353 CG1 VAL A 937 14.693 7.018 -4.486 1.00 0.00 C ATOM 354 CG2 VAL A 937 15.210 5.410 -6.336 1.00 0.00 C ATOM 0 H VAL A 937 17.789 5.230 -6.266 1.00 0.00 H new ATOM 0 HA VAL A 937 16.657 7.729 -6.321 1.00 0.00 H new ATOM 0 HB VAL A 937 16.105 5.428 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 937 13.850 6.389 -4.198 1.00 0.00 H new ATOM 0 HG12 VAL A 937 15.101 7.505 -3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 937 14.356 7.776 -5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 937 14.359 4.804 -6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 937 14.888 6.124 -7.094 1.00 0.00 H new ATOM 0 HG23 VAL A 937 15.982 4.763 -6.752 1.00 0.00 H new ATOM 364 N SER A 938 17.299 9.112 -4.363 1.00 0.00 N ATOM 365 CA SER A 938 17.738 9.964 -3.264 1.00 0.00 C ATOM 366 C SER A 938 16.626 10.919 -2.840 1.00 0.00 C ATOM 367 O SER A 938 15.591 11.015 -3.499 1.00 0.00 O ATOM 368 CB SER A 938 18.980 10.759 -3.672 1.00 0.00 C ATOM 369 OG SER A 938 20.126 9.926 -3.716 1.00 0.00 O ATOM 0 H SER A 938 16.855 9.612 -5.133 1.00 0.00 H new ATOM 0 HA SER A 938 17.987 9.324 -2.417 1.00 0.00 H new ATOM 0 HB2 SER A 938 18.820 11.214 -4.649 1.00 0.00 H new ATOM 0 HB3 SER A 938 19.144 11.572 -2.965 1.00 0.00 H new ATOM 0 HG SER A 938 20.037 9.285 -4.452 1.00 0.00 H new ATOM 375 N ILE A 939 16.849 11.623 -1.735 1.00 0.00 N ATOM 376 CA ILE A 939 15.868 12.571 -1.223 1.00 0.00 C ATOM 377 C ILE A 939 15.536 13.635 -2.265 1.00 0.00 C ATOM 378 O ILE A 939 14.374 14.003 -2.443 1.00 0.00 O ATOM 379 CB ILE A 939 16.368 13.263 0.059 1.00 0.00 C ATOM 380 CG1 ILE A 939 16.549 12.237 1.180 1.00 0.00 C ATOM 381 CG2 ILE A 939 15.399 14.356 0.484 1.00 0.00 C ATOM 382 CD1 ILE A 939 17.459 12.711 2.291 1.00 0.00 C ATOM 0 H ILE A 939 17.700 11.554 -1.178 1.00 0.00 H new ATOM 0 HA ILE A 939 14.969 12.000 -0.990 1.00 0.00 H new ATOM 0 HB ILE A 939 17.335 13.723 -0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 939 15.573 11.993 1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 939 16.953 11.317 0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 939 15.766 14.835 1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 939 15.316 15.098 -0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 939 14.419 13.919 0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 939 17.541 11.934 3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 939 18.447 12.927 1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 939 17.045 13.614 2.740 1.00 0.00 H new ATOM 394 N ASP A 940 16.563 14.124 -2.951 1.00 0.00 N ATOM 395 CA ASP A 940 16.381 15.144 -3.977 1.00 0.00 C ATOM 396 C ASP A 940 15.525 14.614 -5.124 1.00 0.00 C ATOM 397 O ASP A 940 14.608 15.289 -5.589 1.00 0.00 O ATOM 398 CB ASP A 940 17.736 15.610 -4.509 1.00 0.00 C ATOM 399 CG ASP A 940 18.561 16.319 -3.452 1.00 0.00 C ATOM 400 OD1 ASP A 940 18.175 17.436 -3.048 1.00 0.00 O ATOM 401 OD2 ASP A 940 19.591 15.755 -3.028 1.00 0.00 O ATOM 0 H ASP A 940 17.530 13.830 -2.815 1.00 0.00 H new ATOM 0 HA ASP A 940 15.866 15.992 -3.525 1.00 0.00 H new ATOM 0 HB2 ASP A 940 18.292 14.750 -4.883 1.00 0.00 H new ATOM 0 HB3 ASP A 940 17.580 16.280 -5.354 1.00 0.00 H new ATOM 406 N GLU A 941 15.834 13.402 -5.575 1.00 0.00 N ATOM 407 CA GLU A 941 15.094 12.784 -6.668 1.00 0.00 C ATOM 408 C GLU A 941 13.638 12.552 -6.277 1.00 0.00 C ATOM 409 O GLU A 941 12.725 12.808 -7.063 1.00 0.00 O ATOM 410 CB GLU A 941 15.744 11.457 -7.067 1.00 0.00 C ATOM 411 CG GLU A 941 17.145 11.611 -7.634 1.00 0.00 C ATOM 412 CD GLU A 941 17.142 11.972 -9.106 1.00 0.00 C ATOM 413 OE1 GLU A 941 16.129 12.528 -9.579 1.00 0.00 O ATOM 414 OE2 GLU A 941 18.154 11.698 -9.786 1.00 0.00 O ATOM 0 H GLU A 941 16.591 12.830 -5.201 1.00 0.00 H new ATOM 0 HA GLU A 941 15.119 13.464 -7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 941 15.784 10.805 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 941 15.115 10.962 -7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 941 17.676 12.382 -7.076 1.00 0.00 H new ATOM 0 HG3 GLU A 941 17.694 10.680 -7.493 1.00 0.00 H new ATOM 421 N ILE A 942 13.428 12.065 -5.059 1.00 0.00 N ATOM 422 CA ILE A 942 12.084 11.800 -4.563 1.00 0.00 C ATOM 423 C ILE A 942 11.251 13.077 -4.522 1.00 0.00 C ATOM 424 O ILE A 942 10.125 13.113 -5.021 1.00 0.00 O ATOM 425 CB ILE A 942 12.115 11.175 -3.156 1.00 0.00 C ATOM 426 CG1 ILE A 942 12.733 9.776 -3.209 1.00 0.00 C ATOM 427 CG2 ILE A 942 10.713 11.119 -2.569 1.00 0.00 C ATOM 428 CD1 ILE A 942 13.451 9.384 -1.937 1.00 0.00 C ATOM 0 H ILE A 942 14.172 11.846 -4.397 1.00 0.00 H new ATOM 0 HA ILE A 942 11.627 11.093 -5.255 1.00 0.00 H new ATOM 0 HB ILE A 942 12.732 11.800 -2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 942 11.948 9.048 -3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 942 13.435 9.729 -4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 942 10.752 10.675 -1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 942 10.307 12.128 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 942 10.073 10.514 -3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 942 13.864 8.381 -2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 942 14.259 10.090 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 942 12.749 9.398 -1.104 1.00 0.00 H new ATOM 440 N LEU A 943 11.811 14.123 -3.925 1.00 0.00 N ATOM 441 CA LEU A 943 11.121 15.404 -3.820 1.00 0.00 C ATOM 442 C LEU A 943 10.766 15.946 -5.200 1.00 0.00 C ATOM 443 O LEU A 943 9.673 16.472 -5.409 1.00 0.00 O ATOM 444 CB LEU A 943 11.992 16.414 -3.071 1.00 0.00 C ATOM 445 CG LEU A 943 11.876 16.401 -1.546 1.00 0.00 C ATOM 446 CD1 LEU A 943 12.798 17.442 -0.931 1.00 0.00 C ATOM 447 CD2 LEU A 943 10.436 16.643 -1.119 1.00 0.00 C ATOM 0 H LEU A 943 12.741 14.109 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 943 10.197 15.247 -3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 943 13.033 16.233 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 943 11.741 17.414 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 943 12.181 15.418 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 943 12.701 17.418 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 943 13.829 17.224 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 943 12.525 18.432 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 943 10.372 16.630 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 943 10.104 17.612 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 943 9.798 15.860 -1.529 1.00 0.00 H new ATOM 459 N ASP A 944 11.696 15.813 -6.140 1.00 0.00 N ATOM 460 CA ASP A 944 11.480 16.286 -7.502 1.00 0.00 C ATOM 461 C ASP A 944 10.483 15.395 -8.235 1.00 0.00 C ATOM 462 O ASP A 944 9.738 15.859 -9.099 1.00 0.00 O ATOM 463 CB ASP A 944 12.805 16.327 -8.266 1.00 0.00 C ATOM 464 CG ASP A 944 12.815 17.388 -9.349 1.00 0.00 C ATOM 465 OD1 ASP A 944 12.186 17.165 -10.404 1.00 0.00 O ATOM 466 OD2 ASP A 944 13.454 18.441 -9.142 1.00 0.00 O ATOM 0 H ASP A 944 12.607 15.381 -5.983 1.00 0.00 H new ATOM 0 HA ASP A 944 11.068 17.294 -7.450 1.00 0.00 H new ATOM 0 HB2 ASP A 944 13.619 16.518 -7.567 1.00 0.00 H new ATOM 0 HB3 ASP A 944 12.993 15.352 -8.715 1.00 0.00 H new ATOM 471 N PHE A 945 10.474 14.113 -7.886 1.00 0.00 N ATOM 472 CA PHE A 945 9.570 13.156 -8.513 1.00 0.00 C ATOM 473 C PHE A 945 8.118 13.475 -8.169 1.00 0.00 C ATOM 474 O PHE A 945 7.218 13.288 -8.989 1.00 0.00 O ATOM 475 CB PHE A 945 9.911 11.733 -8.067 1.00 0.00 C ATOM 476 CG PHE A 945 8.868 10.720 -8.446 1.00 0.00 C ATOM 477 CD1 PHE A 945 7.674 10.640 -7.748 1.00 0.00 C ATOM 478 CD2 PHE A 945 9.082 9.848 -9.502 1.00 0.00 C ATOM 479 CE1 PHE A 945 6.714 9.708 -8.094 1.00 0.00 C ATOM 480 CE2 PHE A 945 8.125 8.914 -9.853 1.00 0.00 C ATOM 481 CZ PHE A 945 6.939 8.845 -9.149 1.00 0.00 C ATOM 0 H PHE A 945 11.083 13.713 -7.172 1.00 0.00 H new ATOM 0 HA PHE A 945 9.694 13.230 -9.593 1.00 0.00 H new ATOM 0 HB2 PHE A 945 10.865 11.442 -8.506 1.00 0.00 H new ATOM 0 HB3 PHE A 945 10.041 11.721 -6.985 1.00 0.00 H new ATOM 0 HD1 PHE A 945 7.491 11.314 -6.924 1.00 0.00 H new ATOM 0 HD2 PHE A 945 10.007 9.899 -10.057 1.00 0.00 H new ATOM 0 HE1 PHE A 945 5.788 9.654 -7.540 1.00 0.00 H new ATOM 0 HE2 PHE A 945 8.305 8.239 -10.677 1.00 0.00 H new ATOM 0 HZ PHE A 945 6.189 8.118 -9.423 1.00 0.00 H new ATOM 491 N PHE A 946 7.896 13.956 -6.950 1.00 0.00 N ATOM 492 CA PHE A 946 6.554 14.299 -6.496 1.00 0.00 C ATOM 493 C PHE A 946 6.236 15.762 -6.794 1.00 0.00 C ATOM 494 O PHE A 946 5.242 16.304 -6.310 1.00 0.00 O ATOM 495 CB PHE A 946 6.416 14.032 -4.995 1.00 0.00 C ATOM 496 CG PHE A 946 6.173 12.587 -4.664 1.00 0.00 C ATOM 497 CD1 PHE A 946 4.883 12.085 -4.600 1.00 0.00 C ATOM 498 CD2 PHE A 946 7.234 11.731 -4.416 1.00 0.00 C ATOM 499 CE1 PHE A 946 4.656 10.756 -4.296 1.00 0.00 C ATOM 500 CE2 PHE A 946 7.013 10.401 -4.112 1.00 0.00 C ATOM 501 CZ PHE A 946 5.722 9.913 -4.050 1.00 0.00 C ATOM 0 H PHE A 946 8.629 14.117 -6.259 1.00 0.00 H new ATOM 0 HA PHE A 946 5.844 13.673 -7.037 1.00 0.00 H new ATOM 0 HB2 PHE A 946 7.323 14.365 -4.490 1.00 0.00 H new ATOM 0 HB3 PHE A 946 5.594 14.630 -4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 946 4.045 12.740 -4.790 1.00 0.00 H new ATOM 0 HD2 PHE A 946 8.245 12.107 -4.461 1.00 0.00 H new ATOM 0 HE1 PHE A 946 3.646 10.377 -4.251 1.00 0.00 H new ATOM 0 HE2 PHE A 946 7.849 9.744 -3.923 1.00 0.00 H new ATOM 0 HZ PHE A 946 5.547 8.875 -3.810 1.00 0.00 H new ATOM 511 N TYR A 947 7.088 16.394 -7.594 1.00 0.00 N ATOM 512 CA TYR A 947 6.901 17.794 -7.955 1.00 0.00 C ATOM 513 C TYR A 947 5.468 18.053 -8.411 1.00 0.00 C ATOM 514 O TYR A 947 4.811 17.170 -8.961 1.00 0.00 O ATOM 515 CB TYR A 947 7.879 18.193 -9.061 1.00 0.00 C ATOM 516 CG TYR A 947 7.941 19.684 -9.306 1.00 0.00 C ATOM 517 CD1 TYR A 947 8.221 20.567 -8.271 1.00 0.00 C ATOM 518 CD2 TYR A 947 7.720 20.209 -10.573 1.00 0.00 C ATOM 519 CE1 TYR A 947 8.278 21.930 -8.490 1.00 0.00 C ATOM 520 CE2 TYR A 947 7.776 21.570 -10.802 1.00 0.00 C ATOM 521 CZ TYR A 947 8.055 22.426 -9.757 1.00 0.00 C ATOM 522 OH TYR A 947 8.111 23.783 -9.981 1.00 0.00 O ATOM 0 H TYR A 947 7.914 15.959 -8.004 1.00 0.00 H new ATOM 0 HA TYR A 947 7.097 18.399 -7.070 1.00 0.00 H new ATOM 0 HB2 TYR A 947 8.875 17.834 -8.801 1.00 0.00 H new ATOM 0 HB3 TYR A 947 7.592 17.693 -9.986 1.00 0.00 H new ATOM 0 HD1 TYR A 947 8.397 20.181 -7.278 1.00 0.00 H new ATOM 0 HD2 TYR A 947 7.501 19.541 -11.393 1.00 0.00 H new ATOM 0 HE1 TYR A 947 8.496 22.603 -7.674 1.00 0.00 H new ATOM 0 HE2 TYR A 947 7.602 21.962 -11.793 1.00 0.00 H new ATOM 0 HH TYR A 947 7.932 23.966 -10.927 1.00 0.00 H new ATOM 532 N GLY A 948 4.990 19.272 -8.179 1.00 0.00 N ATOM 533 CA GLY A 948 3.639 19.626 -8.572 1.00 0.00 C ATOM 534 C GLY A 948 2.636 19.418 -7.454 1.00 0.00 C ATOM 535 O GLY A 948 1.729 20.229 -7.266 1.00 0.00 O ATOM 0 H GLY A 948 5.515 20.020 -7.726 1.00 0.00 H new ATOM 0 HA2 GLY A 948 3.617 20.670 -8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 948 3.346 19.027 -9.435 1.00 0.00 H new ATOM 539 N TYR A 949 2.798 18.328 -6.712 1.00 0.00 N ATOM 540 CA TYR A 949 1.897 18.014 -5.609 1.00 0.00 C ATOM 541 C TYR A 949 2.463 18.515 -4.284 1.00 0.00 C ATOM 542 O TYR A 949 3.667 18.434 -4.041 1.00 0.00 O ATOM 543 CB TYR A 949 1.655 16.506 -5.536 1.00 0.00 C ATOM 544 CG TYR A 949 1.042 15.929 -6.792 1.00 0.00 C ATOM 545 CD1 TYR A 949 -0.337 15.893 -6.963 1.00 0.00 C ATOM 546 CD2 TYR A 949 1.841 15.419 -7.808 1.00 0.00 C ATOM 547 CE1 TYR A 949 -0.901 15.367 -8.109 1.00 0.00 C ATOM 548 CE2 TYR A 949 1.286 14.892 -8.957 1.00 0.00 C ATOM 549 CZ TYR A 949 -0.086 14.868 -9.103 1.00 0.00 C ATOM 550 OH TYR A 949 -0.643 14.342 -10.247 1.00 0.00 O ATOM 0 H TYR A 949 3.544 17.647 -6.854 1.00 0.00 H new ATOM 0 HA TYR A 949 0.949 18.519 -5.792 1.00 0.00 H new ATOM 0 HB2 TYR A 949 2.602 16.004 -5.340 1.00 0.00 H new ATOM 0 HB3 TYR A 949 1.000 16.292 -4.691 1.00 0.00 H new ATOM 0 HD1 TYR A 949 -0.978 16.283 -6.187 1.00 0.00 H new ATOM 0 HD2 TYR A 949 2.915 15.435 -7.697 1.00 0.00 H new ATOM 0 HE1 TYR A 949 -1.974 15.347 -8.226 1.00 0.00 H new ATOM 0 HE2 TYR A 949 1.922 14.501 -9.737 1.00 0.00 H new ATOM 0 HH TYR A 949 0.069 14.035 -10.846 1.00 0.00 H new ATOM 560 N GLN A 950 1.584 19.031 -3.430 1.00 0.00 N ATOM 561 CA GLN A 950 1.995 19.545 -2.129 1.00 0.00 C ATOM 562 C GLN A 950 2.381 18.406 -1.191 1.00 0.00 C ATOM 563 O GLN A 950 1.519 17.751 -0.605 1.00 0.00 O ATOM 564 CB GLN A 950 0.871 20.374 -1.507 1.00 0.00 C ATOM 565 CG GLN A 950 0.691 21.738 -2.155 1.00 0.00 C ATOM 566 CD GLN A 950 -0.249 22.635 -1.374 1.00 0.00 C ATOM 567 OE1 GLN A 950 -1.458 22.406 -1.338 1.00 0.00 O ATOM 568 NE2 GLN A 950 0.304 23.665 -0.743 1.00 0.00 N ATOM 0 H GLN A 950 0.584 19.104 -3.616 1.00 0.00 H new ATOM 0 HA GLN A 950 2.868 20.181 -2.277 1.00 0.00 H new ATOM 0 HB2 GLN A 950 -0.064 19.819 -1.583 1.00 0.00 H new ATOM 0 HB3 GLN A 950 1.076 20.510 -0.445 1.00 0.00 H new ATOM 0 HG2 GLN A 950 1.662 22.225 -2.244 1.00 0.00 H new ATOM 0 HG3 GLN A 950 0.306 21.608 -3.166 1.00 0.00 H new ATOM 0 HE21 GLN A 950 1.311 23.817 -0.800 1.00 0.00 H new ATOM 0 HE22 GLN A 950 -0.278 24.304 -0.201 1.00 0.00 H new ATOM 577 N VAL A 951 3.683 18.174 -1.055 1.00 0.00 N ATOM 578 CA VAL A 951 4.184 17.114 -0.187 1.00 0.00 C ATOM 579 C VAL A 951 4.559 17.659 1.186 1.00 0.00 C ATOM 580 O VAL A 951 5.363 18.584 1.300 1.00 0.00 O ATOM 581 CB VAL A 951 5.412 16.418 -0.803 1.00 0.00 C ATOM 582 CG1 VAL A 951 6.008 15.420 0.177 1.00 0.00 C ATOM 583 CG2 VAL A 951 5.038 15.736 -2.110 1.00 0.00 C ATOM 0 H VAL A 951 4.410 18.705 -1.534 1.00 0.00 H new ATOM 0 HA VAL A 951 3.379 16.387 -0.079 1.00 0.00 H new ATOM 0 HB VAL A 951 6.167 17.175 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 951 6.875 14.938 -0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 951 6.315 15.940 1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 951 5.262 14.665 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 951 5.918 15.249 -2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 951 4.265 14.990 -1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 951 4.663 16.479 -2.814 1.00 0.00 H new ATOM 593 N ILE A 952 3.970 17.080 2.227 1.00 0.00 N ATOM 594 CA ILE A 952 4.243 17.507 3.594 1.00 0.00 C ATOM 595 C ILE A 952 5.742 17.516 3.878 1.00 0.00 C ATOM 596 O ILE A 952 6.458 16.554 3.599 1.00 0.00 O ATOM 597 CB ILE A 952 3.544 16.595 4.619 1.00 0.00 C ATOM 598 CG1 ILE A 952 2.026 16.652 4.433 1.00 0.00 C ATOM 599 CG2 ILE A 952 3.925 17.000 6.035 1.00 0.00 C ATOM 600 CD1 ILE A 952 1.272 15.684 5.318 1.00 0.00 C ATOM 0 H ILE A 952 3.301 16.314 2.150 1.00 0.00 H new ATOM 0 HA ILE A 952 3.850 18.519 3.693 1.00 0.00 H new ATOM 0 HB ILE A 952 3.873 15.569 4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 952 1.681 17.665 4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 952 1.788 16.440 3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 952 3.423 16.346 6.748 1.00 0.00 H new ATOM 0 HG22 ILE A 952 5.004 16.913 6.160 1.00 0.00 H new ATOM 0 HG23 ILE A 952 3.621 18.032 6.213 1.00 0.00 H new ATOM 0 HD11 ILE A 952 0.202 15.779 5.133 1.00 0.00 H new ATOM 0 HD12 ILE A 952 1.589 14.665 5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 952 1.481 15.909 6.364 1.00 0.00 H new ATOM 612 N PRO A 953 6.229 18.628 4.448 1.00 0.00 N ATOM 613 CA PRO A 953 7.646 18.789 4.785 1.00 0.00 C ATOM 614 C PRO A 953 8.073 17.892 5.941 1.00 0.00 C ATOM 615 O PRO A 953 7.425 17.860 6.986 1.00 0.00 O ATOM 616 CB PRO A 953 7.750 20.263 5.185 1.00 0.00 C ATOM 617 CG PRO A 953 6.381 20.629 5.643 1.00 0.00 C ATOM 618 CD PRO A 953 5.433 19.814 4.808 1.00 0.00 C ATOM 0 HA PRO A 953 8.296 18.511 3.955 1.00 0.00 H new ATOM 0 HB2 PRO A 953 8.484 20.407 5.978 1.00 0.00 H new ATOM 0 HB3 PRO A 953 8.064 20.880 4.343 1.00 0.00 H new ATOM 0 HG2 PRO A 953 6.253 20.411 6.703 1.00 0.00 H new ATOM 0 HG3 PRO A 953 6.198 21.696 5.512 1.00 0.00 H new ATOM 0 HD2 PRO A 953 4.537 19.542 5.367 1.00 0.00 H new ATOM 0 HD3 PRO A 953 5.104 20.361 3.924 1.00 0.00 H new ATOM 626 N GLY A 954 9.168 17.164 5.746 1.00 0.00 N ATOM 627 CA GLY A 954 9.663 16.276 6.783 1.00 0.00 C ATOM 628 C GLY A 954 8.996 14.915 6.747 1.00 0.00 C ATOM 629 O GLY A 954 9.392 14.003 7.472 1.00 0.00 O ATOM 0 H GLY A 954 9.721 17.173 4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 954 10.740 16.153 6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 954 9.497 16.733 7.758 1.00 0.00 H new ATOM 633 N SER A 955 7.979 14.778 5.901 1.00 0.00 N ATOM 634 CA SER A 955 7.252 13.520 5.778 1.00 0.00 C ATOM 635 C SER A 955 8.135 12.441 5.159 1.00 0.00 C ATOM 636 O SER A 955 8.319 11.368 5.734 1.00 0.00 O ATOM 637 CB SER A 955 5.994 13.715 4.929 1.00 0.00 C ATOM 638 OG SER A 955 6.327 13.957 3.573 1.00 0.00 O ATOM 0 H SER A 955 7.640 15.522 5.291 1.00 0.00 H new ATOM 0 HA SER A 955 6.961 13.197 6.778 1.00 0.00 H new ATOM 0 HB2 SER A 955 5.363 12.829 4.999 1.00 0.00 H new ATOM 0 HB3 SER A 955 5.414 14.551 5.319 1.00 0.00 H new ATOM 0 HG SER A 955 6.225 14.912 3.376 1.00 0.00 H new ATOM 644 N VAL A 956 8.679 12.733 3.982 1.00 0.00 N ATOM 645 CA VAL A 956 9.544 11.790 3.284 1.00 0.00 C ATOM 646 C VAL A 956 10.397 10.996 4.266 1.00 0.00 C ATOM 647 O VAL A 956 11.281 11.547 4.923 1.00 0.00 O ATOM 648 CB VAL A 956 10.468 12.509 2.283 1.00 0.00 C ATOM 649 CG1 VAL A 956 11.408 11.517 1.616 1.00 0.00 C ATOM 650 CG2 VAL A 956 9.647 13.259 1.245 1.00 0.00 C ATOM 0 H VAL A 956 8.536 13.616 3.492 1.00 0.00 H new ATOM 0 HA VAL A 956 8.892 11.107 2.739 1.00 0.00 H new ATOM 0 HB VAL A 956 11.072 13.234 2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 956 12.053 12.043 0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 956 12.020 11.029 2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 956 10.825 10.766 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 956 10.316 13.761 0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 956 9.016 12.555 0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 956 9.020 13.999 1.742 1.00 0.00 H new ATOM 660 N CYS A 957 10.127 9.699 4.362 1.00 0.00 N ATOM 661 CA CYS A 957 10.870 8.827 5.265 1.00 0.00 C ATOM 662 C CYS A 957 11.484 7.655 4.507 1.00 0.00 C ATOM 663 O CYS A 957 10.772 6.852 3.902 1.00 0.00 O ATOM 664 CB CYS A 957 9.955 8.310 6.376 1.00 0.00 C ATOM 665 SG CYS A 957 9.663 9.500 7.706 1.00 0.00 S ATOM 0 H CYS A 957 9.399 9.228 3.825 1.00 0.00 H new ATOM 0 HA CYS A 957 11.677 9.409 5.711 1.00 0.00 H new ATOM 0 HB2 CYS A 957 8.997 8.026 5.940 1.00 0.00 H new ATOM 0 HB3 CYS A 957 10.392 7.406 6.801 1.00 0.00 H new ATOM 0 HG CYS A 957 9.051 10.543 7.229 1.00 0.00 H new ATOM 671 N LEU A 958 12.808 7.562 4.543 1.00 0.00 N ATOM 672 CA LEU A 958 13.519 6.488 3.858 1.00 0.00 C ATOM 673 C LEU A 958 13.636 5.256 4.750 1.00 0.00 C ATOM 674 O LEU A 958 14.012 5.356 5.918 1.00 0.00 O ATOM 675 CB LEU A 958 14.911 6.959 3.435 1.00 0.00 C ATOM 676 CG LEU A 958 14.970 7.849 2.193 1.00 0.00 C ATOM 677 CD1 LEU A 958 16.348 8.476 2.051 1.00 0.00 C ATOM 678 CD2 LEU A 958 14.614 7.052 0.947 1.00 0.00 C ATOM 0 H LEU A 958 13.412 8.217 5.039 1.00 0.00 H new ATOM 0 HA LEU A 958 12.948 6.218 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 958 15.358 7.502 4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 958 15.532 6.081 3.258 1.00 0.00 H new ATOM 0 HG LEU A 958 14.239 8.649 2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 958 16.371 9.106 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 958 16.564 9.082 2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 958 17.098 7.690 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 958 14.661 7.702 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 958 15.320 6.230 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 958 13.605 6.652 1.047 1.00 0.00 H new ATOM 690 N LYS A 959 13.312 4.095 4.192 1.00 0.00 N ATOM 691 CA LYS A 959 13.383 2.842 4.935 1.00 0.00 C ATOM 692 C LYS A 959 14.731 2.160 4.724 1.00 0.00 C ATOM 693 O LYS A 959 15.247 2.115 3.607 1.00 0.00 O ATOM 694 CB LYS A 959 12.253 1.905 4.505 1.00 0.00 C ATOM 695 CG LYS A 959 12.050 0.726 5.441 1.00 0.00 C ATOM 696 CD LYS A 959 10.796 -0.056 5.090 1.00 0.00 C ATOM 697 CE LYS A 959 9.544 0.641 5.600 1.00 0.00 C ATOM 698 NZ LYS A 959 9.020 1.630 4.618 1.00 0.00 N ATOM 0 H LYS A 959 12.997 3.995 3.227 1.00 0.00 H new ATOM 0 HA LYS A 959 13.273 3.071 5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 959 11.325 2.473 4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 959 12.464 1.531 3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 959 12.917 0.067 5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 959 11.981 1.084 6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 959 10.732 -0.177 4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 959 10.857 -1.056 5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 959 8.775 -0.102 5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 959 9.767 1.146 6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 9.138 2.591 4.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 9.544 1.543 3.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 8.011 1.447 4.446 1.00 0.00 H new ATOM 712 N TYR A 960 15.296 1.630 5.803 1.00 0.00 N ATOM 713 CA TYR A 960 16.585 0.952 5.736 1.00 0.00 C ATOM 714 C TYR A 960 16.492 -0.454 6.321 1.00 0.00 C ATOM 715 O TYR A 960 15.424 -0.891 6.749 1.00 0.00 O ATOM 716 CB TYR A 960 17.650 1.758 6.482 1.00 0.00 C ATOM 717 CG TYR A 960 17.955 3.094 5.845 1.00 0.00 C ATOM 718 CD1 TYR A 960 18.555 3.168 4.594 1.00 0.00 C ATOM 719 CD2 TYR A 960 17.644 4.283 6.493 1.00 0.00 C ATOM 720 CE1 TYR A 960 18.836 4.387 4.007 1.00 0.00 C ATOM 721 CE2 TYR A 960 17.920 5.506 5.914 1.00 0.00 C ATOM 722 CZ TYR A 960 18.516 5.553 4.671 1.00 0.00 C ATOM 723 OH TYR A 960 18.795 6.770 4.092 1.00 0.00 O ATOM 0 H TYR A 960 14.882 1.657 6.735 1.00 0.00 H new ATOM 0 HA TYR A 960 16.870 0.872 4.687 1.00 0.00 H new ATOM 0 HB2 TYR A 960 17.318 1.921 7.507 1.00 0.00 H new ATOM 0 HB3 TYR A 960 18.567 1.172 6.534 1.00 0.00 H new ATOM 0 HD1 TYR A 960 18.806 2.257 4.071 1.00 0.00 H new ATOM 0 HD2 TYR A 960 17.178 4.250 7.467 1.00 0.00 H new ATOM 0 HE1 TYR A 960 19.303 4.427 3.034 1.00 0.00 H new ATOM 0 HE2 TYR A 960 17.671 6.421 6.432 1.00 0.00 H new ATOM 0 HH TYR A 960 18.506 7.491 4.690 1.00 0.00 H new ATOM 733 N ASN A 961 17.620 -1.157 6.338 1.00 0.00 N ATOM 734 CA ASN A 961 17.667 -2.514 6.871 1.00 0.00 C ATOM 735 C ASN A 961 18.670 -2.614 8.016 1.00 0.00 C ATOM 736 O ASN A 961 19.342 -1.639 8.351 1.00 0.00 O ATOM 737 CB ASN A 961 18.037 -3.506 5.766 1.00 0.00 C ATOM 738 CG ASN A 961 19.536 -3.612 5.562 1.00 0.00 C ATOM 739 OD1 ASN A 961 20.133 -4.662 5.798 1.00 0.00 O ATOM 740 ND2 ASN A 961 20.151 -2.520 5.123 1.00 0.00 N ATOM 0 H ASN A 961 18.513 -0.810 5.989 1.00 0.00 H new ATOM 0 HA ASN A 961 16.677 -2.761 7.255 1.00 0.00 H new ATOM 0 HB2 ASN A 961 17.637 -4.489 6.015 1.00 0.00 H new ATOM 0 HB3 ASN A 961 17.567 -3.197 4.832 1.00 0.00 H new ATOM 0 HD21 ASN A 961 21.159 -2.530 4.968 1.00 0.00 H new ATOM 0 HD22 ASN A 961 19.615 -1.671 4.941 1.00 0.00 H new ATOM 747 N GLU A 962 18.764 -3.799 8.611 1.00 0.00 N ATOM 748 CA GLU A 962 19.685 -4.025 9.719 1.00 0.00 C ATOM 749 C GLU A 962 21.021 -3.331 9.467 1.00 0.00 C ATOM 750 O GLU A 962 21.502 -2.563 10.300 1.00 0.00 O ATOM 751 CB GLU A 962 19.909 -5.524 9.927 1.00 0.00 C ATOM 752 CG GLU A 962 20.307 -6.262 8.660 1.00 0.00 C ATOM 753 CD GLU A 962 20.087 -7.759 8.763 1.00 0.00 C ATOM 754 OE1 GLU A 962 18.914 -8.187 8.787 1.00 0.00 O ATOM 755 OE2 GLU A 962 21.088 -8.503 8.819 1.00 0.00 O ATOM 0 H GLU A 962 18.215 -4.616 8.345 1.00 0.00 H new ATOM 0 HA GLU A 962 19.240 -3.602 10.620 1.00 0.00 H new ATOM 0 HB2 GLU A 962 20.685 -5.666 10.679 1.00 0.00 H new ATOM 0 HB3 GLU A 962 18.996 -5.968 10.324 1.00 0.00 H new ATOM 0 HG2 GLU A 962 19.732 -5.871 7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 962 21.358 -6.067 8.445 1.00 0.00 H new ATOM 762 N LYS A 963 21.616 -3.608 8.311 1.00 0.00 N ATOM 763 CA LYS A 963 22.895 -3.012 7.946 1.00 0.00 C ATOM 764 C LYS A 963 22.765 -1.500 7.787 1.00 0.00 C ATOM 765 O LYS A 963 23.728 -0.760 7.983 1.00 0.00 O ATOM 766 CB LYS A 963 23.417 -3.629 6.647 1.00 0.00 C ATOM 767 CG LYS A 963 24.161 -4.938 6.852 1.00 0.00 C ATOM 768 CD LYS A 963 25.630 -4.703 7.160 1.00 0.00 C ATOM 769 CE LYS A 963 26.438 -4.486 5.890 1.00 0.00 C ATOM 770 NZ LYS A 963 26.466 -5.705 5.036 1.00 0.00 N ATOM 0 H LYS A 963 21.232 -4.242 7.611 1.00 0.00 H new ATOM 0 HA LYS A 963 23.604 -3.216 8.748 1.00 0.00 H new ATOM 0 HB2 LYS A 963 22.578 -3.799 5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 963 24.080 -2.916 6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 963 23.702 -5.494 7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 963 24.070 -5.553 5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 963 25.732 -3.834 7.810 1.00 0.00 H new ATOM 0 HD3 LYS A 963 26.030 -5.558 7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 963 26.012 -3.657 5.325 1.00 0.00 H new ATOM 0 HE3 LYS A 963 27.457 -4.203 6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 963 27.316 -5.690 4.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 963 26.483 -6.552 5.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 963 25.619 -5.726 4.433 1.00 0.00 H new ATOM 784 N GLY A 964 21.566 -1.048 7.430 1.00 0.00 N ATOM 785 CA GLY A 964 21.332 0.373 7.252 1.00 0.00 C ATOM 786 C GLY A 964 21.096 0.744 5.801 1.00 0.00 C ATOM 787 O GLY A 964 20.505 1.783 5.508 1.00 0.00 O ATOM 0 H GLY A 964 20.753 -1.641 7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 964 20.469 0.673 7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 964 22.189 0.930 7.632 1.00 0.00 H new ATOM 791 N MET A 965 21.559 -0.107 4.891 1.00 0.00 N ATOM 792 CA MET A 965 21.394 0.138 3.463 1.00 0.00 C ATOM 793 C MET A 965 19.926 0.366 3.116 1.00 0.00 C ATOM 794 O MET A 965 19.021 -0.119 3.795 1.00 0.00 O ATOM 795 CB MET A 965 21.944 -1.039 2.656 1.00 0.00 C ATOM 796 CG MET A 965 23.451 -1.201 2.767 1.00 0.00 C ATOM 797 SD MET A 965 24.351 0.229 2.138 1.00 0.00 S ATOM 798 CE MET A 965 24.685 1.114 3.659 1.00 0.00 C ATOM 0 H MET A 965 22.051 -0.972 5.117 1.00 0.00 H new ATOM 0 HA MET A 965 21.953 1.038 3.207 1.00 0.00 H new ATOM 0 HB2 MET A 965 21.462 -1.957 2.993 1.00 0.00 H new ATOM 0 HB3 MET A 965 21.677 -0.906 1.607 1.00 0.00 H new ATOM 0 HG2 MET A 965 23.719 -1.364 3.811 1.00 0.00 H new ATOM 0 HG3 MET A 965 23.759 -2.090 2.216 1.00 0.00 H new ATOM 0 HE1 MET A 965 24.504 2.178 3.508 1.00 0.00 H new ATOM 0 HE2 MET A 965 24.030 0.743 4.447 1.00 0.00 H new ATOM 0 HE3 MET A 965 25.724 0.960 3.949 1.00 0.00 H new ATOM 808 N PRO A 966 19.683 1.122 2.036 1.00 0.00 N ATOM 809 CA PRO A 966 18.326 1.431 1.575 1.00 0.00 C ATOM 810 C PRO A 966 17.617 0.210 1.001 1.00 0.00 C ATOM 811 O PRO A 966 18.193 -0.545 0.217 1.00 0.00 O ATOM 812 CB PRO A 966 18.553 2.480 0.483 1.00 0.00 C ATOM 813 CG PRO A 966 19.935 2.222 -0.010 1.00 0.00 C ATOM 814 CD PRO A 966 20.714 1.733 1.180 1.00 0.00 C ATOM 0 HA PRO A 966 17.687 1.774 2.389 1.00 0.00 H new ATOM 0 HB2 PRO A 966 17.822 2.381 -0.319 1.00 0.00 H new ATOM 0 HB3 PRO A 966 18.456 3.491 0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 966 19.933 1.479 -0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 966 20.378 3.129 -0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 966 21.477 1.010 0.891 1.00 0.00 H new ATOM 0 HD3 PRO A 966 21.226 2.550 1.688 1.00 0.00 H new ATOM 822 N THR A 967 16.361 0.021 1.395 1.00 0.00 N ATOM 823 CA THR A 967 15.573 -1.109 0.921 1.00 0.00 C ATOM 824 C THR A 967 14.676 -0.704 -0.243 1.00 0.00 C ATOM 825 O THR A 967 13.633 -1.314 -0.478 1.00 0.00 O ATOM 826 CB THR A 967 14.701 -1.698 2.045 1.00 0.00 C ATOM 827 OG1 THR A 967 13.926 -0.662 2.658 1.00 0.00 O ATOM 828 CG2 THR A 967 15.563 -2.382 3.096 1.00 0.00 C ATOM 0 H THR A 967 15.868 0.637 2.042 1.00 0.00 H new ATOM 0 HA THR A 967 16.280 -1.868 0.585 1.00 0.00 H new ATOM 0 HB THR A 967 14.033 -2.439 1.606 1.00 0.00 H new ATOM 0 HG1 THR A 967 13.373 -1.045 3.371 1.00 0.00 H new ATOM 0 HG21 THR A 967 14.925 -2.790 3.880 1.00 0.00 H new ATOM 0 HG22 THR A 967 16.130 -3.189 2.632 1.00 0.00 H new ATOM 0 HG23 THR A 967 16.252 -1.657 3.530 1.00 0.00 H new ATOM 836 N GLY A 968 15.088 0.330 -0.971 1.00 0.00 N ATOM 837 CA GLY A 968 14.310 0.799 -2.102 1.00 0.00 C ATOM 838 C GLY A 968 12.865 1.078 -1.736 1.00 0.00 C ATOM 839 O GLY A 968 11.957 0.804 -2.519 1.00 0.00 O ATOM 0 H GLY A 968 15.947 0.851 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 968 14.763 1.707 -2.499 1.00 0.00 H new ATOM 0 HA3 GLY A 968 14.343 0.053 -2.896 1.00 0.00 H new ATOM 843 N GLU A 969 12.654 1.623 -0.542 1.00 0.00 N ATOM 844 CA GLU A 969 11.309 1.937 -0.074 1.00 0.00 C ATOM 845 C GLU A 969 11.280 3.290 0.630 1.00 0.00 C ATOM 846 O GLU A 969 12.241 3.677 1.294 1.00 0.00 O ATOM 847 CB GLU A 969 10.807 0.845 0.874 1.00 0.00 C ATOM 848 CG GLU A 969 10.070 -0.281 0.169 1.00 0.00 C ATOM 849 CD GLU A 969 10.022 -1.553 0.994 1.00 0.00 C ATOM 850 OE1 GLU A 969 9.549 -1.492 2.148 1.00 0.00 O ATOM 851 OE2 GLU A 969 10.457 -2.607 0.486 1.00 0.00 O ATOM 0 H GLU A 969 13.396 1.856 0.118 1.00 0.00 H new ATOM 0 HA GLU A 969 10.652 1.985 -0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 969 11.656 0.429 1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 969 10.145 1.294 1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 969 9.053 0.040 -0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 969 10.557 -0.488 -0.784 1.00 0.00 H new ATOM 858 N ALA A 970 10.170 4.006 0.480 1.00 0.00 N ATOM 859 CA ALA A 970 10.014 5.314 1.102 1.00 0.00 C ATOM 860 C ALA A 970 8.550 5.603 1.415 1.00 0.00 C ATOM 861 O ALA A 970 7.651 5.108 0.736 1.00 0.00 O ATOM 862 CB ALA A 970 10.586 6.399 0.200 1.00 0.00 C ATOM 0 H ALA A 970 9.365 3.701 -0.068 1.00 0.00 H new ATOM 0 HA ALA A 970 10.565 5.309 2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 970 10.463 7.371 0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 970 11.646 6.210 0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 970 10.059 6.394 -0.754 1.00 0.00 H new ATOM 868 N MET A 971 8.318 6.405 2.448 1.00 0.00 N ATOM 869 CA MET A 971 6.962 6.759 2.851 1.00 0.00 C ATOM 870 C MET A 971 6.787 8.274 2.900 1.00 0.00 C ATOM 871 O MET A 971 7.698 9.001 3.296 1.00 0.00 O ATOM 872 CB MET A 971 6.637 6.152 4.217 1.00 0.00 C ATOM 873 CG MET A 971 6.279 4.676 4.157 1.00 0.00 C ATOM 874 SD MET A 971 6.579 3.824 5.717 1.00 0.00 S ATOM 875 CE MET A 971 5.045 4.150 6.582 1.00 0.00 C ATOM 0 H MET A 971 9.051 6.822 3.022 1.00 0.00 H new ATOM 0 HA MET A 971 6.273 6.355 2.109 1.00 0.00 H new ATOM 0 HB2 MET A 971 7.495 6.283 4.877 1.00 0.00 H new ATOM 0 HB3 MET A 971 5.807 6.701 4.661 1.00 0.00 H new ATOM 0 HG2 MET A 971 5.228 4.572 3.887 1.00 0.00 H new ATOM 0 HG3 MET A 971 6.860 4.197 3.369 1.00 0.00 H new ATOM 0 HE1 MET A 971 5.077 3.686 7.568 1.00 0.00 H new ATOM 0 HE2 MET A 971 4.911 5.226 6.692 1.00 0.00 H new ATOM 0 HE3 MET A 971 4.212 3.737 6.013 1.00 0.00 H new ATOM 885 N VAL A 972 5.611 8.743 2.496 1.00 0.00 N ATOM 886 CA VAL A 972 5.317 10.171 2.495 1.00 0.00 C ATOM 887 C VAL A 972 3.901 10.441 2.991 1.00 0.00 C ATOM 888 O VAL A 972 3.077 9.530 3.075 1.00 0.00 O ATOM 889 CB VAL A 972 5.480 10.777 1.088 1.00 0.00 C ATOM 890 CG1 VAL A 972 6.931 10.699 0.638 1.00 0.00 C ATOM 891 CG2 VAL A 972 4.567 10.073 0.096 1.00 0.00 C ATOM 0 H VAL A 972 4.846 8.155 2.165 1.00 0.00 H new ATOM 0 HA VAL A 972 6.032 10.641 3.170 1.00 0.00 H new ATOM 0 HB VAL A 972 5.193 11.828 1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 972 7.027 11.132 -0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 972 7.559 11.253 1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 972 7.249 9.657 0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 972 4.695 10.514 -0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 972 4.821 9.014 0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 972 3.530 10.186 0.412 1.00 0.00 H new ATOM 901 N ALA A 973 3.624 11.699 3.319 1.00 0.00 N ATOM 902 CA ALA A 973 2.307 12.090 3.805 1.00 0.00 C ATOM 903 C ALA A 973 1.755 13.268 3.009 1.00 0.00 C ATOM 904 O ALA A 973 2.512 14.092 2.495 1.00 0.00 O ATOM 905 CB ALA A 973 2.371 12.435 5.285 1.00 0.00 C ATOM 0 H ALA A 973 4.295 12.465 3.257 1.00 0.00 H new ATOM 0 HA ALA A 973 1.632 11.245 3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 973 1.380 12.725 5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 973 2.714 11.566 5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 973 3.065 13.261 5.436 1.00 0.00 H new ATOM 911 N PHE A 974 0.432 13.341 2.909 1.00 0.00 N ATOM 912 CA PHE A 974 -0.221 14.418 2.173 1.00 0.00 C ATOM 913 C PHE A 974 -1.348 15.033 2.997 1.00 0.00 C ATOM 914 O PHE A 974 -2.058 14.332 3.718 1.00 0.00 O ATOM 915 CB PHE A 974 -0.771 13.896 0.844 1.00 0.00 C ATOM 916 CG PHE A 974 0.274 13.765 -0.227 1.00 0.00 C ATOM 917 CD1 PHE A 974 1.161 12.700 -0.221 1.00 0.00 C ATOM 918 CD2 PHE A 974 0.370 14.706 -1.239 1.00 0.00 C ATOM 919 CE1 PHE A 974 2.124 12.577 -1.205 1.00 0.00 C ATOM 920 CE2 PHE A 974 1.330 14.588 -2.226 1.00 0.00 C ATOM 921 CZ PHE A 974 2.208 13.522 -2.209 1.00 0.00 C ATOM 0 H PHE A 974 -0.209 12.667 3.328 1.00 0.00 H new ATOM 0 HA PHE A 974 0.522 15.190 1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 974 -1.235 12.923 1.009 1.00 0.00 H new ATOM 0 HB3 PHE A 974 -1.555 14.568 0.495 1.00 0.00 H new ATOM 0 HD1 PHE A 974 1.099 11.958 0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 974 -0.314 15.542 -1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 974 2.810 11.743 -1.189 1.00 0.00 H new ATOM 0 HE2 PHE A 974 1.394 15.328 -3.010 1.00 0.00 H new ATOM 0 HZ PHE A 974 2.959 13.427 -2.979 1.00 0.00 H new ATOM 931 N GLU A 975 -1.506 16.348 2.884 1.00 0.00 N ATOM 932 CA GLU A 975 -2.546 17.058 3.619 1.00 0.00 C ATOM 933 C GLU A 975 -3.916 16.819 2.991 1.00 0.00 C ATOM 934 O GLU A 975 -4.928 16.756 3.688 1.00 0.00 O ATOM 935 CB GLU A 975 -2.244 18.558 3.653 1.00 0.00 C ATOM 936 CG GLU A 975 -0.912 18.896 4.302 1.00 0.00 C ATOM 937 CD GLU A 975 -0.473 20.320 4.024 1.00 0.00 C ATOM 938 OE1 GLU A 975 -1.241 21.251 4.347 1.00 0.00 O ATOM 939 OE2 GLU A 975 0.638 20.505 3.484 1.00 0.00 O ATOM 0 H GLU A 975 -0.927 16.943 2.291 1.00 0.00 H new ATOM 0 HA GLU A 975 -2.561 16.674 4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 975 -2.251 18.945 2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 975 -3.042 19.069 4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 975 -0.989 18.747 5.379 1.00 0.00 H new ATOM 0 HG3 GLU A 975 -0.150 18.207 3.938 1.00 0.00 H new ATOM 946 N SER A 976 -3.939 16.686 1.668 1.00 0.00 N ATOM 947 CA SER A 976 -5.185 16.458 0.945 1.00 0.00 C ATOM 948 C SER A 976 -5.240 15.036 0.393 1.00 0.00 C ATOM 949 O SER A 976 -4.342 14.604 -0.330 1.00 0.00 O ATOM 950 CB SER A 976 -5.328 17.466 -0.197 1.00 0.00 C ATOM 951 OG SER A 976 -6.590 17.344 -0.830 1.00 0.00 O ATOM 0 H SER A 976 -3.110 16.732 1.076 1.00 0.00 H new ATOM 0 HA SER A 976 -6.011 16.591 1.643 1.00 0.00 H new ATOM 0 HB2 SER A 976 -5.208 18.478 0.190 1.00 0.00 H new ATOM 0 HB3 SER A 976 -4.535 17.308 -0.927 1.00 0.00 H new ATOM 0 HG SER A 976 -6.657 18.000 -1.555 1.00 0.00 H new ATOM 957 N ARG A 977 -6.300 14.314 0.740 1.00 0.00 N ATOM 958 CA ARG A 977 -6.473 12.941 0.282 1.00 0.00 C ATOM 959 C ARG A 977 -6.569 12.884 -1.240 1.00 0.00 C ATOM 960 O ARG A 977 -5.959 12.027 -1.879 1.00 0.00 O ATOM 961 CB ARG A 977 -7.727 12.326 0.906 1.00 0.00 C ATOM 962 CG ARG A 977 -8.034 10.926 0.402 1.00 0.00 C ATOM 963 CD ARG A 977 -9.171 10.288 1.186 1.00 0.00 C ATOM 964 NE ARG A 977 -10.479 10.671 0.662 1.00 0.00 N ATOM 965 CZ ARG A 977 -11.113 11.785 1.010 1.00 0.00 C ATOM 966 NH1 ARG A 977 -10.560 12.623 1.876 1.00 0.00 N ATOM 967 NH2 ARG A 977 -12.301 12.064 0.490 1.00 0.00 N ATOM 0 H ARG A 977 -7.052 14.657 1.337 1.00 0.00 H new ATOM 0 HA ARG A 977 -5.601 12.367 0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 977 -7.606 12.295 1.989 1.00 0.00 H new ATOM 0 HB3 ARG A 977 -8.580 12.973 0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 977 -8.298 10.968 -0.655 1.00 0.00 H new ATOM 0 HG3 ARG A 977 -7.142 10.305 0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 977 -9.070 9.203 1.152 1.00 0.00 H new ATOM 0 HD3 ARG A 977 -9.099 10.583 2.233 1.00 0.00 H new ATOM 0 HE ARG A 977 -10.931 10.049 -0.008 1.00 0.00 H new ATOM 0 HH11 ARG A 977 -9.646 12.413 2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 977 -11.049 13.478 2.142 1.00 0.00 H new ATOM 0 HH21 ARG A 977 -12.729 11.423 -0.178 1.00 0.00 H new ATOM 0 HH22 ARG A 977 -12.787 12.920 0.758 1.00 0.00 H new ATOM 981 N ASP A 978 -7.340 13.802 -1.813 1.00 0.00 N ATOM 982 CA ASP A 978 -7.517 13.857 -3.260 1.00 0.00 C ATOM 983 C ASP A 978 -6.175 14.031 -3.965 1.00 0.00 C ATOM 984 O ASP A 978 -5.946 13.465 -5.033 1.00 0.00 O ATOM 985 CB ASP A 978 -8.458 15.002 -3.637 1.00 0.00 C ATOM 986 CG ASP A 978 -8.634 15.136 -5.137 1.00 0.00 C ATOM 987 OD1 ASP A 978 -7.662 15.528 -5.816 1.00 0.00 O ATOM 988 OD2 ASP A 978 -9.744 14.848 -5.632 1.00 0.00 O ATOM 0 H ASP A 978 -7.852 14.518 -1.298 1.00 0.00 H new ATOM 0 HA ASP A 978 -7.958 12.914 -3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -9.431 14.837 -3.173 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -8.068 15.937 -3.235 1.00 0.00 H new ATOM 993 N GLU A 979 -5.292 14.820 -3.359 1.00 0.00 N ATOM 994 CA GLU A 979 -3.974 15.070 -3.931 1.00 0.00 C ATOM 995 C GLU A 979 -3.122 13.804 -3.907 1.00 0.00 C ATOM 996 O GLU A 979 -2.426 13.493 -4.873 1.00 0.00 O ATOM 997 CB GLU A 979 -3.266 16.189 -3.165 1.00 0.00 C ATOM 998 CG GLU A 979 -3.736 17.582 -3.551 1.00 0.00 C ATOM 999 CD GLU A 979 -3.952 17.732 -5.045 1.00 0.00 C ATOM 1000 OE1 GLU A 979 -2.964 17.990 -5.763 1.00 0.00 O ATOM 1001 OE2 GLU A 979 -5.108 17.591 -5.495 1.00 0.00 O ATOM 0 H GLU A 979 -5.465 15.296 -2.474 1.00 0.00 H new ATOM 0 HA GLU A 979 -4.108 15.378 -4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 979 -3.425 16.044 -2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 979 -2.193 16.115 -3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 979 -4.667 17.805 -3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 979 -3.001 18.315 -3.219 1.00 0.00 H new ATOM 1008 N ALA A 980 -3.181 13.079 -2.794 1.00 0.00 N ATOM 1009 CA ALA A 980 -2.416 11.847 -2.644 1.00 0.00 C ATOM 1010 C ALA A 980 -2.797 10.831 -3.715 1.00 0.00 C ATOM 1011 O ALA A 980 -1.932 10.264 -4.384 1.00 0.00 O ATOM 1012 CB ALA A 980 -2.629 11.260 -1.257 1.00 0.00 C ATOM 0 H ALA A 980 -3.750 13.324 -1.984 1.00 0.00 H new ATOM 0 HA ALA A 980 -1.360 12.086 -2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 980 -2.052 10.340 -1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 980 -2.301 11.977 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 980 -3.687 11.042 -1.113 1.00 0.00 H new ATOM 1018 N THR A 981 -4.097 10.603 -3.873 1.00 0.00 N ATOM 1019 CA THR A 981 -4.592 9.653 -4.862 1.00 0.00 C ATOM 1020 C THR A 981 -4.268 10.114 -6.278 1.00 0.00 C ATOM 1021 O THR A 981 -3.836 9.323 -7.115 1.00 0.00 O ATOM 1022 CB THR A 981 -6.114 9.452 -4.735 1.00 0.00 C ATOM 1023 OG1 THR A 981 -6.476 9.308 -3.357 1.00 0.00 O ATOM 1024 CG2 THR A 981 -6.564 8.225 -5.514 1.00 0.00 C ATOM 0 H THR A 981 -4.826 11.063 -3.329 1.00 0.00 H new ATOM 0 HA THR A 981 -4.090 8.705 -4.668 1.00 0.00 H new ATOM 0 HB THR A 981 -6.610 10.329 -5.150 1.00 0.00 H new ATOM 0 HG1 THR A 981 -7.445 9.182 -3.285 1.00 0.00 H new ATOM 0 HG21 THR A 981 -7.642 8.103 -5.410 1.00 0.00 H new ATOM 0 HG22 THR A 981 -6.313 8.351 -6.567 1.00 0.00 H new ATOM 0 HG23 THR A 981 -6.059 7.341 -5.124 1.00 0.00 H new ATOM 1032 N ALA A 982 -4.479 11.400 -6.539 1.00 0.00 N ATOM 1033 CA ALA A 982 -4.206 11.968 -7.854 1.00 0.00 C ATOM 1034 C ALA A 982 -2.735 11.815 -8.223 1.00 0.00 C ATOM 1035 O ALA A 982 -2.403 11.435 -9.345 1.00 0.00 O ATOM 1036 CB ALA A 982 -4.613 13.433 -7.891 1.00 0.00 C ATOM 0 H ALA A 982 -4.838 12.068 -5.857 1.00 0.00 H new ATOM 0 HA ALA A 982 -4.796 11.421 -8.589 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -4.403 13.844 -8.879 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -5.679 13.520 -7.680 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -4.049 13.986 -7.141 1.00 0.00 H new ATOM 1042 N ALA A 983 -1.857 12.115 -7.272 1.00 0.00 N ATOM 1043 CA ALA A 983 -0.420 12.011 -7.497 1.00 0.00 C ATOM 1044 C ALA A 983 -0.002 10.559 -7.709 1.00 0.00 C ATOM 1045 O ALA A 983 0.791 10.255 -8.599 1.00 0.00 O ATOM 1046 CB ALA A 983 0.343 12.617 -6.329 1.00 0.00 C ATOM 0 H ALA A 983 -2.115 12.432 -6.338 1.00 0.00 H new ATOM 0 HA ALA A 983 -0.177 12.568 -8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 983 1.414 12.532 -6.511 1.00 0.00 H new ATOM 0 HB2 ALA A 983 0.075 13.668 -6.225 1.00 0.00 H new ATOM 0 HB3 ALA A 983 0.087 12.085 -5.412 1.00 0.00 H new ATOM 1052 N VAL A 984 -0.541 9.667 -6.884 1.00 0.00 N ATOM 1053 CA VAL A 984 -0.224 8.247 -6.981 1.00 0.00 C ATOM 1054 C VAL A 984 -0.616 7.689 -8.344 1.00 0.00 C ATOM 1055 O VAL A 984 0.171 6.999 -8.993 1.00 0.00 O ATOM 1056 CB VAL A 984 -0.937 7.436 -5.882 1.00 0.00 C ATOM 1057 CG1 VAL A 984 -0.652 5.951 -6.045 1.00 0.00 C ATOM 1058 CG2 VAL A 984 -0.514 7.921 -4.504 1.00 0.00 C ATOM 0 H VAL A 984 -1.199 9.902 -6.141 1.00 0.00 H new ATOM 0 HA VAL A 984 0.854 8.153 -6.849 1.00 0.00 H new ATOM 0 HB VAL A 984 -2.012 7.588 -5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 984 -1.164 5.394 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 984 -1.009 5.617 -7.019 1.00 0.00 H new ATOM 0 HG13 VAL A 984 0.422 5.776 -5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 984 -1.027 7.337 -3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 984 0.563 7.800 -4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 984 -0.775 8.974 -4.393 1.00 0.00 H new ATOM 1068 N ILE A 985 -1.837 7.991 -8.773 1.00 0.00 N ATOM 1069 CA ILE A 985 -2.332 7.521 -10.061 1.00 0.00 C ATOM 1070 C ILE A 985 -1.539 8.131 -11.211 1.00 0.00 C ATOM 1071 O ILE A 985 -1.156 7.436 -12.153 1.00 0.00 O ATOM 1072 CB ILE A 985 -3.824 7.855 -10.246 1.00 0.00 C ATOM 1073 CG1 ILE A 985 -4.655 7.210 -9.135 1.00 0.00 C ATOM 1074 CG2 ILE A 985 -4.305 7.391 -11.613 1.00 0.00 C ATOM 1075 CD1 ILE A 985 -6.068 7.743 -9.051 1.00 0.00 C ATOM 0 H ILE A 985 -2.502 8.559 -8.247 1.00 0.00 H new ATOM 0 HA ILE A 985 -2.206 6.438 -10.071 1.00 0.00 H new ATOM 0 HB ILE A 985 -3.950 8.936 -10.186 1.00 0.00 H new ATOM 0 HG12 ILE A 985 -4.691 6.133 -9.298 1.00 0.00 H new ATOM 0 HG13 ILE A 985 -4.157 7.372 -8.179 1.00 0.00 H new ATOM 0 HG21 ILE A 985 -5.361 7.634 -11.729 1.00 0.00 H new ATOM 0 HG22 ILE A 985 -3.730 7.893 -12.391 1.00 0.00 H new ATOM 0 HG23 ILE A 985 -4.169 6.313 -11.700 1.00 0.00 H new ATOM 0 HD11 ILE A 985 -6.599 7.241 -8.242 1.00 0.00 H new ATOM 0 HD12 ILE A 985 -6.041 8.815 -8.857 1.00 0.00 H new ATOM 0 HD13 ILE A 985 -6.584 7.557 -9.993 1.00 0.00 H new ATOM 1087 N ASP A 986 -1.294 9.434 -11.128 1.00 0.00 N ATOM 1088 CA ASP A 986 -0.544 10.139 -12.161 1.00 0.00 C ATOM 1089 C ASP A 986 0.938 9.782 -12.095 1.00 0.00 C ATOM 1090 O ASP A 986 1.674 9.958 -13.067 1.00 0.00 O ATOM 1091 CB ASP A 986 -0.724 11.650 -12.011 1.00 0.00 C ATOM 1092 CG ASP A 986 -1.918 12.171 -12.787 1.00 0.00 C ATOM 1093 OD1 ASP A 986 -3.058 11.796 -12.443 1.00 0.00 O ATOM 1094 OD2 ASP A 986 -1.712 12.952 -13.740 1.00 0.00 O ATOM 0 H ASP A 986 -1.604 10.024 -10.356 1.00 0.00 H new ATOM 0 HA ASP A 986 -0.932 9.830 -13.132 1.00 0.00 H new ATOM 0 HB2 ASP A 986 -0.845 11.896 -10.956 1.00 0.00 H new ATOM 0 HB3 ASP A 986 0.178 12.156 -12.355 1.00 0.00 H new ATOM 1099 N LEU A 987 1.370 9.280 -10.943 1.00 0.00 N ATOM 1100 CA LEU A 987 2.764 8.899 -10.749 1.00 0.00 C ATOM 1101 C LEU A 987 2.882 7.416 -10.412 1.00 0.00 C ATOM 1102 O LEU A 987 3.889 6.973 -9.863 1.00 0.00 O ATOM 1103 CB LEU A 987 3.393 9.739 -9.636 1.00 0.00 C ATOM 1104 CG LEU A 987 3.337 11.255 -9.825 1.00 0.00 C ATOM 1105 CD1 LEU A 987 3.745 11.968 -8.545 1.00 0.00 C ATOM 1106 CD2 LEU A 987 4.228 11.681 -10.983 1.00 0.00 C ATOM 0 H LEU A 987 0.774 9.128 -10.129 1.00 0.00 H new ATOM 0 HA LEU A 987 3.298 9.084 -11.681 1.00 0.00 H new ATOM 0 HB2 LEU A 987 2.897 9.492 -8.697 1.00 0.00 H new ATOM 0 HB3 LEU A 987 4.437 9.444 -9.532 1.00 0.00 H new ATOM 0 HG LEU A 987 2.310 11.535 -10.061 1.00 0.00 H new ATOM 0 HD11 LEU A 987 3.699 13.046 -8.699 1.00 0.00 H new ATOM 0 HD12 LEU A 987 3.066 11.687 -7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 987 4.763 11.683 -8.278 1.00 0.00 H new ATOM 0 HD21 LEU A 987 4.176 12.763 -11.103 1.00 0.00 H new ATOM 0 HD22 LEU A 987 5.257 11.388 -10.777 1.00 0.00 H new ATOM 0 HD23 LEU A 987 3.890 11.197 -11.899 1.00 0.00 H new ATOM 1118 N ASN A 988 1.845 6.655 -10.746 1.00 0.00 N ATOM 1119 CA ASN A 988 1.833 5.221 -10.480 1.00 0.00 C ATOM 1120 C ASN A 988 2.637 4.465 -11.534 1.00 0.00 C ATOM 1121 O ASN A 988 2.409 4.622 -12.734 1.00 0.00 O ATOM 1122 CB ASN A 988 0.395 4.699 -10.449 1.00 0.00 C ATOM 1123 CG ASN A 988 0.309 3.220 -10.771 1.00 0.00 C ATOM 1124 OD1 ASN A 988 -0.010 2.836 -11.897 1.00 0.00 O ATOM 1125 ND2 ASN A 988 0.594 2.381 -9.782 1.00 0.00 N ATOM 0 H ASN A 988 1.003 7.007 -11.201 1.00 0.00 H new ATOM 0 HA ASN A 988 2.295 5.054 -9.507 1.00 0.00 H new ATOM 0 HB2 ASN A 988 -0.032 4.879 -9.463 1.00 0.00 H new ATOM 0 HB3 ASN A 988 -0.207 5.259 -11.164 1.00 0.00 H new ATOM 0 HD21 ASN A 988 0.553 1.374 -9.940 1.00 0.00 H new ATOM 0 HD22 ASN A 988 0.854 2.743 -8.865 1.00 0.00 H new ATOM 1132 N ASP A 989 3.576 3.645 -11.078 1.00 0.00 N ATOM 1133 CA ASP A 989 4.413 2.863 -11.981 1.00 0.00 C ATOM 1134 C ASP A 989 5.290 3.774 -12.834 1.00 0.00 C ATOM 1135 O ASP A 989 5.457 3.545 -14.033 1.00 0.00 O ATOM 1136 CB ASP A 989 3.545 1.981 -12.880 1.00 0.00 C ATOM 1137 CG ASP A 989 2.649 1.050 -12.086 1.00 0.00 C ATOM 1138 OD1 ASP A 989 3.103 0.537 -11.043 1.00 0.00 O ATOM 1139 OD2 ASP A 989 1.493 0.835 -12.509 1.00 0.00 O ATOM 0 H ASP A 989 3.777 3.504 -10.088 1.00 0.00 H new ATOM 0 HA ASP A 989 5.060 2.227 -11.378 1.00 0.00 H new ATOM 0 HB2 ASP A 989 2.930 2.614 -13.521 1.00 0.00 H new ATOM 0 HB3 ASP A 989 4.187 1.392 -13.535 1.00 0.00 H new ATOM 1144 N ARG A 990 5.846 4.806 -12.210 1.00 0.00 N ATOM 1145 CA ARG A 990 6.704 5.753 -12.913 1.00 0.00 C ATOM 1146 C ARG A 990 8.138 5.237 -12.985 1.00 0.00 C ATOM 1147 O ARG A 990 8.717 4.798 -11.991 1.00 0.00 O ATOM 1148 CB ARG A 990 6.675 7.115 -12.217 1.00 0.00 C ATOM 1149 CG ARG A 990 5.374 7.875 -12.420 1.00 0.00 C ATOM 1150 CD ARG A 990 5.423 8.738 -13.670 1.00 0.00 C ATOM 1151 NE ARG A 990 6.491 9.732 -13.608 1.00 0.00 N ATOM 1152 CZ ARG A 990 6.554 10.794 -14.404 1.00 0.00 C ATOM 1153 NH1 ARG A 990 5.615 10.999 -15.317 1.00 0.00 N ATOM 1154 NH2 ARG A 990 7.558 11.654 -14.286 1.00 0.00 N ATOM 0 H ARG A 990 5.718 5.008 -11.219 1.00 0.00 H new ATOM 0 HA ARG A 990 6.324 5.864 -13.929 1.00 0.00 H new ATOM 0 HB2 ARG A 990 6.839 6.971 -11.149 1.00 0.00 H new ATOM 0 HB3 ARG A 990 7.502 7.721 -12.588 1.00 0.00 H new ATOM 0 HG2 ARG A 990 4.547 7.169 -12.496 1.00 0.00 H new ATOM 0 HG3 ARG A 990 5.178 8.503 -11.551 1.00 0.00 H new ATOM 0 HD2 ARG A 990 5.570 8.103 -14.543 1.00 0.00 H new ATOM 0 HD3 ARG A 990 4.466 9.242 -13.800 1.00 0.00 H new ATOM 0 HE ARG A 990 7.229 9.604 -12.916 1.00 0.00 H new ATOM 0 HH11 ARG A 990 4.842 10.341 -15.410 1.00 0.00 H new ATOM 0 HH12 ARG A 990 5.666 11.815 -15.927 1.00 0.00 H new ATOM 0 HH21 ARG A 990 8.282 11.500 -13.584 1.00 0.00 H new ATOM 0 HH22 ARG A 990 7.606 12.469 -14.897 1.00 0.00 H new ATOM 1168 N PRO A 991 8.726 5.289 -14.189 1.00 0.00 N ATOM 1169 CA PRO A 991 10.100 4.832 -14.420 1.00 0.00 C ATOM 1170 C PRO A 991 11.132 5.745 -13.767 1.00 0.00 C ATOM 1171 O PRO A 991 11.693 6.627 -14.417 1.00 0.00 O ATOM 1172 CB PRO A 991 10.236 4.874 -15.944 1.00 0.00 C ATOM 1173 CG PRO A 991 9.244 5.894 -16.385 1.00 0.00 C ATOM 1174 CD PRO A 991 8.096 5.800 -15.418 1.00 0.00 C ATOM 0 HA PRO A 991 10.280 3.847 -13.989 1.00 0.00 H new ATOM 0 HB2 PRO A 991 11.247 5.150 -16.244 1.00 0.00 H new ATOM 0 HB3 PRO A 991 10.026 3.900 -16.387 1.00 0.00 H new ATOM 0 HG2 PRO A 991 9.681 6.893 -16.376 1.00 0.00 H new ATOM 0 HG3 PRO A 991 8.912 5.700 -17.405 1.00 0.00 H new ATOM 0 HD2 PRO A 991 7.627 6.770 -15.256 1.00 0.00 H new ATOM 0 HD3 PRO A 991 7.319 5.127 -15.781 1.00 0.00 H new ATOM 1182 N ILE A 992 11.378 5.527 -12.480 1.00 0.00 N ATOM 1183 CA ILE A 992 12.345 6.329 -11.741 1.00 0.00 C ATOM 1184 C ILE A 992 13.766 5.824 -11.966 1.00 0.00 C ATOM 1185 O ILE A 992 14.051 4.640 -11.788 1.00 0.00 O ATOM 1186 CB ILE A 992 12.043 6.323 -10.230 1.00 0.00 C ATOM 1187 CG1 ILE A 992 10.865 7.248 -9.919 1.00 0.00 C ATOM 1188 CG2 ILE A 992 13.275 6.743 -9.443 1.00 0.00 C ATOM 1189 CD1 ILE A 992 10.607 7.421 -8.439 1.00 0.00 C ATOM 0 H ILE A 992 10.921 4.802 -11.927 1.00 0.00 H new ATOM 0 HA ILE A 992 12.261 7.349 -12.117 1.00 0.00 H new ATOM 0 HB ILE A 992 11.773 5.310 -9.932 1.00 0.00 H new ATOM 0 HG12 ILE A 992 11.054 8.225 -10.363 1.00 0.00 H new ATOM 0 HG13 ILE A 992 9.967 6.851 -10.392 1.00 0.00 H new ATOM 0 HG21 ILE A 992 13.046 6.734 -8.377 1.00 0.00 H new ATOM 0 HG22 ILE A 992 14.090 6.048 -9.645 1.00 0.00 H new ATOM 0 HG23 ILE A 992 13.572 7.748 -9.742 1.00 0.00 H new ATOM 0 HD11 ILE A 992 9.758 8.089 -8.293 1.00 0.00 H new ATOM 0 HD12 ILE A 992 10.386 6.451 -7.992 1.00 0.00 H new ATOM 0 HD13 ILE A 992 11.490 7.847 -7.963 1.00 0.00 H new ATOM 1201 N GLY A 993 14.655 6.731 -12.358 1.00 0.00 N ATOM 1202 CA GLY A 993 16.037 6.359 -12.600 1.00 0.00 C ATOM 1203 C GLY A 993 16.173 5.307 -13.683 1.00 0.00 C ATOM 1204 O GLY A 993 16.238 5.633 -14.869 1.00 0.00 O ATOM 0 H GLY A 993 14.443 7.717 -12.512 1.00 0.00 H new ATOM 0 HA2 GLY A 993 16.604 7.245 -12.885 1.00 0.00 H new ATOM 0 HA3 GLY A 993 16.476 5.983 -11.676 1.00 0.00 H new ATOM 1208 N SER A 994 16.219 4.043 -13.276 1.00 0.00 N ATOM 1209 CA SER A 994 16.354 2.940 -14.220 1.00 0.00 C ATOM 1210 C SER A 994 15.331 1.847 -13.929 1.00 0.00 C ATOM 1211 O SER A 994 15.279 0.829 -14.620 1.00 0.00 O ATOM 1212 CB SER A 994 17.769 2.360 -14.161 1.00 0.00 C ATOM 1213 OG SER A 994 18.143 2.065 -12.826 1.00 0.00 O ATOM 0 H SER A 994 16.165 3.757 -12.298 1.00 0.00 H new ATOM 0 HA SER A 994 16.170 3.328 -15.222 1.00 0.00 H new ATOM 0 HB2 SER A 994 17.820 1.454 -14.765 1.00 0.00 H new ATOM 0 HB3 SER A 994 18.475 3.070 -14.592 1.00 0.00 H new ATOM 0 HG SER A 994 19.050 1.694 -12.815 1.00 0.00 H new ATOM 1219 N ARG A 995 14.518 2.065 -12.900 1.00 0.00 N ATOM 1220 CA ARG A 995 13.497 1.098 -12.515 1.00 0.00 C ATOM 1221 C ARG A 995 12.160 1.790 -12.267 1.00 0.00 C ATOM 1222 O ARG A 995 12.100 3.008 -12.099 1.00 0.00 O ATOM 1223 CB ARG A 995 13.931 0.338 -11.261 1.00 0.00 C ATOM 1224 CG ARG A 995 15.318 -0.273 -11.368 1.00 0.00 C ATOM 1225 CD ARG A 995 15.585 -1.253 -10.236 1.00 0.00 C ATOM 1226 NE ARG A 995 16.548 -2.282 -10.618 1.00 0.00 N ATOM 1227 CZ ARG A 995 16.738 -3.403 -9.931 1.00 0.00 C ATOM 1228 NH1 ARG A 995 16.033 -3.638 -8.832 1.00 0.00 N ATOM 1229 NH2 ARG A 995 17.633 -4.292 -10.342 1.00 0.00 N ATOM 0 H ARG A 995 14.547 2.902 -12.318 1.00 0.00 H new ATOM 0 HA ARG A 995 13.374 0.391 -13.335 1.00 0.00 H new ATOM 0 HB2 ARG A 995 13.907 1.017 -10.409 1.00 0.00 H new ATOM 0 HB3 ARG A 995 13.209 -0.453 -11.058 1.00 0.00 H new ATOM 0 HG2 ARG A 995 15.418 -0.785 -12.325 1.00 0.00 H new ATOM 0 HG3 ARG A 995 16.068 0.518 -11.350 1.00 0.00 H new ATOM 0 HD2 ARG A 995 15.960 -0.711 -9.368 1.00 0.00 H new ATOM 0 HD3 ARG A 995 14.649 -1.725 -9.937 1.00 0.00 H new ATOM 0 HE ARG A 995 17.106 -2.132 -11.459 1.00 0.00 H new ATOM 0 HH11 ARG A 995 15.344 -2.957 -8.513 1.00 0.00 H new ATOM 0 HH12 ARG A 995 16.180 -4.499 -8.306 1.00 0.00 H new ATOM 0 HH21 ARG A 995 18.177 -4.115 -11.187 1.00 0.00 H new ATOM 0 HH22 ARG A 995 17.777 -5.152 -9.813 1.00 0.00 H new ATOM 1243 N LYS A 996 11.088 1.005 -12.246 1.00 0.00 N ATOM 1244 CA LYS A 996 9.751 1.540 -12.017 1.00 0.00 C ATOM 1245 C LYS A 996 9.400 1.511 -10.533 1.00 0.00 C ATOM 1246 O LYS A 996 9.768 0.581 -9.816 1.00 0.00 O ATOM 1247 CB LYS A 996 8.717 0.741 -12.813 1.00 0.00 C ATOM 1248 CG LYS A 996 8.902 0.835 -14.318 1.00 0.00 C ATOM 1249 CD LYS A 996 8.073 -0.209 -15.047 1.00 0.00 C ATOM 1250 CE LYS A 996 7.998 0.082 -16.538 1.00 0.00 C ATOM 1251 NZ LYS A 996 6.943 1.085 -16.855 1.00 0.00 N ATOM 0 H LYS A 996 11.119 -0.005 -12.385 1.00 0.00 H new ATOM 0 HA LYS A 996 9.738 2.576 -12.354 1.00 0.00 H new ATOM 0 HB2 LYS A 996 8.770 -0.306 -12.514 1.00 0.00 H new ATOM 0 HB3 LYS A 996 7.719 1.096 -12.555 1.00 0.00 H new ATOM 0 HG2 LYS A 996 8.617 1.830 -14.659 1.00 0.00 H new ATOM 0 HG3 LYS A 996 9.955 0.702 -14.565 1.00 0.00 H new ATOM 0 HD2 LYS A 996 8.508 -1.196 -14.889 1.00 0.00 H new ATOM 0 HD3 LYS A 996 7.067 -0.233 -14.629 1.00 0.00 H new ATOM 0 HE2 LYS A 996 8.964 0.449 -16.886 1.00 0.00 H new ATOM 0 HE3 LYS A 996 7.795 -0.842 -17.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 996 6.924 1.256 -17.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 996 6.017 0.725 -16.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 996 7.150 1.975 -16.359 1.00 0.00 H new ATOM 1265 N VAL A 997 8.684 2.535 -10.079 1.00 0.00 N ATOM 1266 CA VAL A 997 8.281 2.625 -8.681 1.00 0.00 C ATOM 1267 C VAL A 997 6.796 2.322 -8.517 1.00 0.00 C ATOM 1268 O VAL A 997 5.998 2.560 -9.424 1.00 0.00 O ATOM 1269 CB VAL A 997 8.576 4.021 -8.100 1.00 0.00 C ATOM 1270 CG1 VAL A 997 10.040 4.136 -7.704 1.00 0.00 C ATOM 1271 CG2 VAL A 997 8.199 5.104 -9.100 1.00 0.00 C ATOM 0 H VAL A 997 8.371 3.314 -10.659 1.00 0.00 H new ATOM 0 HA VAL A 997 8.863 1.882 -8.135 1.00 0.00 H new ATOM 0 HB VAL A 997 7.970 4.158 -7.204 1.00 0.00 H new ATOM 0 HG11 VAL A 997 10.230 5.129 -7.296 1.00 0.00 H new ATOM 0 HG12 VAL A 997 10.273 3.383 -6.951 1.00 0.00 H new ATOM 0 HG13 VAL A 997 10.668 3.979 -8.581 1.00 0.00 H new ATOM 0 HG21 VAL A 997 8.414 6.084 -8.673 1.00 0.00 H new ATOM 0 HG22 VAL A 997 8.777 4.972 -10.015 1.00 0.00 H new ATOM 0 HG23 VAL A 997 7.136 5.033 -9.329 1.00 0.00 H new ATOM 1281 N LYS A 998 6.430 1.796 -7.353 1.00 0.00 N ATOM 1282 CA LYS A 998 5.040 1.462 -7.067 1.00 0.00 C ATOM 1283 C LYS A 998 4.482 2.353 -5.962 1.00 0.00 C ATOM 1284 O LYS A 998 5.056 2.446 -4.876 1.00 0.00 O ATOM 1285 CB LYS A 998 4.921 -0.009 -6.659 1.00 0.00 C ATOM 1286 CG LYS A 998 3.501 -0.436 -6.329 1.00 0.00 C ATOM 1287 CD LYS A 998 2.635 -0.500 -7.576 1.00 0.00 C ATOM 1288 CE LYS A 998 1.154 -0.483 -7.226 1.00 0.00 C ATOM 1289 NZ LYS A 998 0.696 -1.793 -6.688 1.00 0.00 N ATOM 0 H LYS A 998 7.078 1.592 -6.592 1.00 0.00 H new ATOM 0 HA LYS A 998 4.458 1.630 -7.973 1.00 0.00 H new ATOM 0 HB2 LYS A 998 5.301 -0.633 -7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 998 5.556 -0.189 -5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 998 3.517 -1.413 -5.845 1.00 0.00 H new ATOM 0 HG3 LYS A 998 3.065 0.265 -5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 998 2.867 0.344 -8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 998 2.868 -1.406 -8.136 1.00 0.00 H new ATOM 0 HE2 LYS A 998 0.964 0.298 -6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 998 0.574 -0.232 -8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 998 -0.318 -1.740 -6.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 998 0.854 -2.535 -7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 998 1.232 -2.021 -5.826 1.00 0.00 H new ATOM 1303 N LEU A 999 3.360 3.005 -6.245 1.00 0.00 N ATOM 1304 CA LEU A 999 2.723 3.888 -5.274 1.00 0.00 C ATOM 1305 C LEU A 999 1.405 3.298 -4.783 1.00 0.00 C ATOM 1306 O LEU A 999 0.545 2.925 -5.581 1.00 0.00 O ATOM 1307 CB LEU A 999 2.479 5.266 -5.891 1.00 0.00 C ATOM 1308 CG LEU A 999 3.727 6.041 -6.317 1.00 0.00 C ATOM 1309 CD1 LEU A 999 3.344 7.242 -7.169 1.00 0.00 C ATOM 1310 CD2 LEU A 999 4.523 6.482 -5.098 1.00 0.00 C ATOM 0 H LEU A 999 2.873 2.939 -7.139 1.00 0.00 H new ATOM 0 HA LEU A 999 3.393 3.992 -4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 999 1.837 5.143 -6.763 1.00 0.00 H new ATOM 0 HB3 LEU A 999 1.927 5.872 -5.172 1.00 0.00 H new ATOM 0 HG LEU A 999 4.354 5.381 -6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 999 4.244 7.782 -7.463 1.00 0.00 H new ATOM 0 HD12 LEU A 999 2.817 6.902 -8.061 1.00 0.00 H new ATOM 0 HD13 LEU A 999 2.696 7.904 -6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 999 5.407 7.032 -5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 999 3.904 7.125 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 999 4.829 5.606 -4.527 1.00 0.00 H new ATOM 1322 N VAL A1000 1.252 3.218 -3.465 1.00 0.00 N ATOM 1323 CA VAL A1000 0.037 2.677 -2.868 1.00 0.00 C ATOM 1324 C VAL A1000 -0.475 3.579 -1.751 1.00 0.00 C ATOM 1325 O VAL A1000 0.307 4.147 -0.988 1.00 0.00 O ATOM 1326 CB VAL A1000 0.272 1.263 -2.303 1.00 0.00 C ATOM 1327 CG1 VAL A1000 -1.012 0.707 -1.706 1.00 0.00 C ATOM 1328 CG2 VAL A1000 0.809 0.340 -3.387 1.00 0.00 C ATOM 0 H VAL A1000 1.954 3.521 -2.790 1.00 0.00 H new ATOM 0 HA VAL A1000 -0.710 2.625 -3.660 1.00 0.00 H new ATOM 0 HB VAL A1000 1.016 1.326 -1.509 1.00 0.00 H new ATOM 0 HG11 VAL A1000 -0.827 -0.292 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A1000 -1.350 1.358 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A1000 -1.780 0.656 -2.478 1.00 0.00 H new ATOM 0 HG21 VAL A1000 0.970 -0.655 -2.971 1.00 0.00 H new ATOM 0 HG22 VAL A1000 0.089 0.280 -4.203 1.00 0.00 H new ATOM 0 HG23 VAL A1000 1.753 0.732 -3.764 1.00 0.00 H new ATOM 1338 N LEU A1001 -1.794 3.707 -1.660 1.00 0.00 N ATOM 1339 CA LEU A1001 -2.413 4.540 -0.635 1.00 0.00 C ATOM 1340 C LEU A1001 -2.312 3.882 0.737 1.00 0.00 C ATOM 1341 O LEU A1001 -2.462 2.668 0.866 1.00 0.00 O ATOM 1342 CB LEU A1001 -3.880 4.803 -0.981 1.00 0.00 C ATOM 1343 CG LEU A1001 -4.152 6.003 -1.888 1.00 0.00 C ATOM 1344 CD1 LEU A1001 -5.566 5.943 -2.444 1.00 0.00 C ATOM 1345 CD2 LEU A1001 -3.929 7.305 -1.131 1.00 0.00 C ATOM 0 H LEU A1001 -2.456 3.245 -2.284 1.00 0.00 H new ATOM 0 HA LEU A1001 -1.878 5.489 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A1001 -4.285 3.912 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A1001 -4.432 4.943 -0.052 1.00 0.00 H new ATOM 0 HG LEU A1001 -3.454 5.968 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A1001 -5.741 6.805 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A1001 -5.691 5.028 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A1001 -6.281 5.953 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU A1001 -4.127 8.149 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A1001 -4.603 7.348 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU A1001 -2.897 7.351 -0.783 1.00 0.00 H new ATOM 1357 N GLY A1002 -2.058 4.692 1.760 1.00 0.00 N ATOM 1358 CA GLY A1002 -1.944 4.171 3.109 1.00 0.00 C ATOM 1359 C GLY A1002 -3.289 4.040 3.796 1.00 0.00 C ATOM 1360 O GLY A1002 -3.451 4.457 4.943 1.00 0.00 O ATOM 0 H GLY A1002 -1.929 5.701 1.678 1.00 0.00 H new ATOM 0 HA2 GLY A1002 -1.459 3.196 3.079 1.00 0.00 H new ATOM 0 HA3 GLY A1002 -1.302 4.828 3.696 1.00 0.00 H new