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 -88:sc= -0.354 USER MOD Single : A 929 LYS NZ :NH3+ -122:sc= -1.47 (180deg=-4.54!) USER MOD Single : A 931 GLN :FLIP amide:sc= -1.13 F(o=-1.8,f=-1.1) USER MOD Single : A 932 ASN : amide:sc= -1.73! X(o=-1.7!,f=-1.6) USER MOD Single : A 933 MET CE :methyl 166:sc= -3.07 (180deg=-3.13!) USER MOD Single : A 936 THR OG1 : rot 180:sc= 0 USER MOD Single : A 938 SER OG : rot 15:sc= 0.227 USER MOD Single : A 947 TYR OH : rot 180:sc= 0 USER MOD Single : A 949 TYR OH : rot 165:sc= -0.0466 USER MOD Single : A 950 GLN : amide:sc= -0.0389 X(o=-0.039,f=0) USER MOD Single : A 955 SER OG : rot -95:sc= 0.657 USER MOD Single : A 957 CYS SG : rot 180:sc= 0 USER MOD Single : A 959 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 960 TYR OH : rot 180:sc= -0.555 USER MOD Single : A 961 ASN :FLIP amide:sc= -6.67! C(o=-7.5!,f=-6.7!) USER MOD Single : A 963 LYS NZ :NH3+ -161:sc= -0.0276 (180deg=-0.203) USER MOD Single : A 965 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 967 THR OG1 : rot -63:sc= 0.538 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 75:sc= 0.103 USER MOD Single : A 988 ASN : amide:sc= 0 X(o=0,f=0) 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 -4.074 12.931 7.619 1.00 0.00 N ATOM 149 CA PRO A 925 -3.571 12.919 6.242 1.00 0.00 C ATOM 150 C PRO A 925 -3.458 11.507 5.678 1.00 0.00 C ATOM 151 O PRO A 925 -3.590 10.523 6.407 1.00 0.00 O ATOM 152 CB PRO A 925 -2.186 13.560 6.364 1.00 0.00 C ATOM 153 CG PRO A 925 -1.773 13.302 7.772 1.00 0.00 C ATOM 154 CD PRO A 925 -3.036 13.327 8.586 1.00 0.00 C ATOM 0 HA PRO A 925 -4.239 13.444 5.560 1.00 0.00 H new ATOM 0 HB2 PRO A 925 -1.482 13.120 5.658 1.00 0.00 H new ATOM 0 HB3 PRO A 925 -2.224 14.628 6.152 1.00 0.00 H new ATOM 0 HG2 PRO A 925 -1.271 12.339 7.861 1.00 0.00 H new ATOM 0 HG3 PRO A 925 -1.071 14.061 8.118 1.00 0.00 H new ATOM 0 HD2 PRO A 925 -2.986 12.635 9.427 1.00 0.00 H new ATOM 0 HD3 PRO A 925 -3.228 14.317 8.999 1.00 0.00 H new ATOM 162 N THR A 926 -3.211 11.413 4.375 1.00 0.00 N ATOM 163 CA THR A 926 -3.080 10.121 3.713 1.00 0.00 C ATOM 164 C THR A 926 -1.615 9.731 3.553 1.00 0.00 C ATOM 165 O THR A 926 -0.811 10.504 3.032 1.00 0.00 O ATOM 166 CB THR A 926 -3.752 10.129 2.327 1.00 0.00 C ATOM 167 OG1 THR A 926 -5.101 10.596 2.439 1.00 0.00 O ATOM 168 CG2 THR A 926 -3.741 8.737 1.713 1.00 0.00 C ATOM 0 H THR A 926 -3.098 12.217 3.757 1.00 0.00 H new ATOM 0 HA THR A 926 -3.581 9.389 4.347 1.00 0.00 H new ATOM 0 HB THR A 926 -3.189 10.800 1.678 1.00 0.00 H new ATOM 0 HG1 THR A 926 -5.694 9.840 2.630 1.00 0.00 H new ATOM 0 HG21 THR A 926 -4.221 8.767 0.735 1.00 0.00 H new ATOM 0 HG22 THR A 926 -2.712 8.396 1.602 1.00 0.00 H new ATOM 0 HG23 THR A 926 -4.283 8.049 2.362 1.00 0.00 H new ATOM 176 N ILE A 927 -1.275 8.528 4.004 1.00 0.00 N ATOM 177 CA ILE A 927 0.094 8.036 3.908 1.00 0.00 C ATOM 178 C ILE A 927 0.275 7.150 2.681 1.00 0.00 C ATOM 179 O ILE A 927 -0.469 6.189 2.481 1.00 0.00 O ATOM 180 CB ILE A 927 0.495 7.241 5.165 1.00 0.00 C ATOM 181 CG1 ILE A 927 0.461 8.144 6.399 1.00 0.00 C ATOM 182 CG2 ILE A 927 1.877 6.631 4.987 1.00 0.00 C ATOM 183 CD1 ILE A 927 1.642 9.084 6.494 1.00 0.00 C ATOM 0 H ILE A 927 -1.928 7.877 4.439 1.00 0.00 H new ATOM 0 HA ILE A 927 0.738 8.911 3.820 1.00 0.00 H new ATOM 0 HB ILE A 927 -0.222 6.433 5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 927 -0.458 8.729 6.385 1.00 0.00 H new ATOM 0 HG13 ILE A 927 0.430 7.522 7.293 1.00 0.00 H new ATOM 0 HG21 ILE A 927 2.146 6.072 5.883 1.00 0.00 H new ATOM 0 HG22 ILE A 927 1.870 5.959 4.129 1.00 0.00 H new ATOM 0 HG23 ILE A 927 2.606 7.424 4.821 1.00 0.00 H new ATOM 0 HD11 ILE A 927 1.551 9.693 7.393 1.00 0.00 H new ATOM 0 HD12 ILE A 927 2.565 8.506 6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 927 1.663 9.732 5.618 1.00 0.00 H new ATOM 195 N ILE A 928 1.269 7.479 1.862 1.00 0.00 N ATOM 196 CA ILE A 928 1.549 6.711 0.655 1.00 0.00 C ATOM 197 C ILE A 928 2.794 5.847 0.831 1.00 0.00 C ATOM 198 O ILE A 928 3.731 6.223 1.535 1.00 0.00 O ATOM 199 CB ILE A 928 1.745 7.631 -0.564 1.00 0.00 C ATOM 200 CG1 ILE A 928 0.511 8.513 -0.768 1.00 0.00 C ATOM 201 CG2 ILE A 928 2.024 6.805 -1.811 1.00 0.00 C ATOM 202 CD1 ILE A 928 0.712 9.605 -1.795 1.00 0.00 C ATOM 0 H ILE A 928 1.893 8.272 2.012 1.00 0.00 H new ATOM 0 HA ILE A 928 0.685 6.069 0.481 1.00 0.00 H new ATOM 0 HB ILE A 928 2.604 8.277 -0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 928 -0.327 7.887 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 928 0.237 8.967 0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 928 2.160 7.469 -2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 928 2.929 6.215 -1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 928 1.183 6.138 -2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 928 -0.203 10.190 -1.887 1.00 0.00 H new ATOM 0 HD12 ILE A 928 1.528 10.255 -1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 928 0.956 9.158 -2.759 1.00 0.00 H new ATOM 214 N LYS A 929 2.797 4.686 0.184 1.00 0.00 N ATOM 215 CA LYS A 929 3.927 3.768 0.265 1.00 0.00 C ATOM 216 C LYS A 929 4.654 3.682 -1.073 1.00 0.00 C ATOM 217 O LYS A 929 4.038 3.448 -2.113 1.00 0.00 O ATOM 218 CB LYS A 929 3.450 2.377 0.689 1.00 0.00 C ATOM 219 CG LYS A 929 3.400 2.184 2.194 1.00 0.00 C ATOM 220 CD LYS A 929 2.069 2.636 2.770 1.00 0.00 C ATOM 221 CE LYS A 929 0.988 1.585 2.569 1.00 0.00 C ATOM 222 NZ LYS A 929 0.263 1.775 1.283 1.00 0.00 N ATOM 0 H LYS A 929 2.029 4.359 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 929 4.622 4.151 1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 929 2.457 2.201 0.275 1.00 0.00 H new ATOM 0 HB3 LYS A 929 4.113 1.627 0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 929 3.563 1.133 2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 929 4.209 2.746 2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 929 2.183 2.843 3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 929 1.764 3.569 2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 929 1.438 0.592 2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 929 0.279 1.630 3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 -0.752 1.898 1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 0.630 2.619 0.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 0.404 0.940 0.679 1.00 0.00 H new ATOM 236 N VAL A 930 5.970 3.871 -1.040 1.00 0.00 N ATOM 237 CA VAL A 930 6.782 3.813 -2.249 1.00 0.00 C ATOM 238 C VAL A 930 7.648 2.559 -2.269 1.00 0.00 C ATOM 239 O VAL A 930 8.438 2.324 -1.354 1.00 0.00 O ATOM 240 CB VAL A 930 7.688 5.052 -2.378 1.00 0.00 C ATOM 241 CG1 VAL A 930 8.264 5.148 -3.782 1.00 0.00 C ATOM 242 CG2 VAL A 930 6.917 6.314 -2.021 1.00 0.00 C ATOM 0 H VAL A 930 6.496 4.066 -0.188 1.00 0.00 H new ATOM 0 HA VAL A 930 6.092 3.788 -3.092 1.00 0.00 H new ATOM 0 HB VAL A 930 8.517 4.950 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 930 8.901 6.029 -3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 930 8.853 4.256 -3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 930 7.451 5.228 -4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 930 7.572 7.180 -2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 930 6.068 6.424 -2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 930 6.558 6.243 -0.994 1.00 0.00 H new ATOM 252 N GLN A 931 7.495 1.756 -3.317 1.00 0.00 N ATOM 253 CA GLN A 931 8.264 0.525 -3.456 1.00 0.00 C ATOM 254 C GLN A 931 8.874 0.418 -4.850 1.00 0.00 C ATOM 255 O GLN A 931 8.547 1.199 -5.742 1.00 0.00 O ATOM 256 CB GLN A 931 7.377 -0.689 -3.179 1.00 0.00 C ATOM 257 CG GLN A 931 7.921 -1.606 -2.096 1.00 0.00 C ATOM 258 CD GLN A 931 7.234 -1.404 -0.760 1.00 0.00 C ATOM 259 OE1 GLN A 931 7.165 -0.155 -0.313 1.00 0.00 O flip ATOM 260 NE2 GLN A 931 6.771 -2.359 -0.136 1.00 0.00 N flip ATOM 0 H GLN A 931 6.845 1.936 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 931 9.074 0.548 -2.727 1.00 0.00 H new ATOM 0 HB2 GLN A 931 6.385 -0.345 -2.887 1.00 0.00 H new ATOM 0 HB3 GLN A 931 7.258 -1.259 -4.100 1.00 0.00 H new ATOM 0 HG2 GLN A 931 7.800 -2.643 -2.409 1.00 0.00 H new ATOM 0 HG3 GLN A 931 8.991 -1.431 -1.980 1.00 0.00 H new ATOM 0 HE21 GLN A 931 6.846 -3.302 -0.517 1.00 0.00 H new ATOM 0 HE22 GLN A 931 6.312 -2.207 0.762 1.00 0.00 H new ATOM 269 N ASN A 932 9.761 -0.555 -5.029 1.00 0.00 N ATOM 270 CA ASN A 932 10.417 -0.764 -6.315 1.00 0.00 C ATOM 271 C ASN A 932 11.315 0.418 -6.666 1.00 0.00 C ATOM 272 O ASN A 932 11.270 0.934 -7.782 1.00 0.00 O ATOM 273 CB ASN A 932 9.374 -0.972 -7.415 1.00 0.00 C ATOM 274 CG ASN A 932 9.889 -1.845 -8.543 1.00 0.00 C ATOM 275 OD1 ASN A 932 9.328 -2.902 -8.830 1.00 0.00 O ATOM 276 ND2 ASN A 932 10.963 -1.405 -9.188 1.00 0.00 N ATOM 0 H ASN A 932 10.042 -1.211 -4.300 1.00 0.00 H new ATOM 0 HA ASN A 932 11.037 -1.657 -6.238 1.00 0.00 H new ATOM 0 HB2 ASN A 932 8.482 -1.428 -6.985 1.00 0.00 H new ATOM 0 HB3 ASN A 932 9.075 -0.004 -7.816 1.00 0.00 H new ATOM 0 HD21 ASN A 932 11.356 -1.950 -9.956 1.00 0.00 H new ATOM 0 HD22 ASN A 932 11.395 -0.522 -8.916 1.00 0.00 H new ATOM 283 N MET A 933 12.130 0.841 -5.705 1.00 0.00 N ATOM 284 CA MET A 933 13.040 1.961 -5.914 1.00 0.00 C ATOM 285 C MET A 933 14.492 1.502 -5.844 1.00 0.00 C ATOM 286 O MET A 933 14.911 0.829 -4.902 1.00 0.00 O ATOM 287 CB MET A 933 12.787 3.052 -4.871 1.00 0.00 C ATOM 288 CG MET A 933 11.770 4.092 -5.314 1.00 0.00 C ATOM 289 SD MET A 933 11.746 5.541 -4.241 1.00 0.00 S ATOM 290 CE MET A 933 11.631 4.768 -2.630 1.00 0.00 C ATOM 0 H MET A 933 12.179 0.425 -4.775 1.00 0.00 H new ATOM 0 HA MET A 933 12.854 2.368 -6.908 1.00 0.00 H new ATOM 0 HB2 MET A 933 12.441 2.587 -3.948 1.00 0.00 H new ATOM 0 HB3 MET A 933 13.729 3.551 -4.643 1.00 0.00 H new ATOM 0 HG2 MET A 933 11.995 4.404 -6.334 1.00 0.00 H new ATOM 0 HG3 MET A 933 10.778 3.641 -5.331 1.00 0.00 H new ATOM 0 HE1 MET A 933 11.855 5.503 -1.857 1.00 0.00 H new ATOM 0 HE2 MET A 933 10.622 4.382 -2.483 1.00 0.00 H new ATOM 0 HE3 MET A 933 12.346 3.948 -2.568 1.00 0.00 H new ATOM 300 N PRO A 934 15.281 1.872 -6.864 1.00 0.00 N ATOM 301 CA PRO A 934 16.699 1.509 -6.941 1.00 0.00 C ATOM 302 C PRO A 934 17.541 2.236 -5.898 1.00 0.00 C ATOM 303 O PRO A 934 17.073 3.174 -5.252 1.00 0.00 O ATOM 304 CB PRO A 934 17.101 1.946 -8.351 1.00 0.00 C ATOM 305 CG PRO A 934 16.142 3.031 -8.700 1.00 0.00 C ATOM 306 CD PRO A 934 14.849 2.675 -8.020 1.00 0.00 C ATOM 0 HA PRO A 934 16.859 0.448 -6.747 1.00 0.00 H new ATOM 0 HB2 PRO A 934 18.130 2.304 -8.376 1.00 0.00 H new ATOM 0 HB3 PRO A 934 17.035 1.117 -9.056 1.00 0.00 H new ATOM 0 HG2 PRO A 934 16.508 4.000 -8.360 1.00 0.00 H new ATOM 0 HG3 PRO A 934 16.009 3.102 -9.780 1.00 0.00 H new ATOM 0 HD2 PRO A 934 14.300 3.564 -7.709 1.00 0.00 H new ATOM 0 HD3 PRO A 934 14.191 2.109 -8.679 1.00 0.00 H new ATOM 314 N PHE A 935 18.785 1.797 -5.738 1.00 0.00 N ATOM 315 CA PHE A 935 19.692 2.406 -4.772 1.00 0.00 C ATOM 316 C PHE A 935 19.976 3.860 -5.135 1.00 0.00 C ATOM 317 O PHE A 935 20.119 4.715 -4.260 1.00 0.00 O ATOM 318 CB PHE A 935 21.003 1.619 -4.706 1.00 0.00 C ATOM 319 CG PHE A 935 20.808 0.131 -4.660 1.00 0.00 C ATOM 320 CD1 PHE A 935 20.025 -0.448 -3.675 1.00 0.00 C ATOM 321 CD2 PHE A 935 21.406 -0.689 -5.603 1.00 0.00 C ATOM 322 CE1 PHE A 935 19.844 -1.818 -3.630 1.00 0.00 C ATOM 323 CE2 PHE A 935 21.229 -2.059 -5.564 1.00 0.00 C ATOM 324 CZ PHE A 935 20.446 -2.624 -4.576 1.00 0.00 C ATOM 0 H PHE A 935 19.188 1.022 -6.265 1.00 0.00 H new ATOM 0 HA PHE A 935 19.212 2.382 -3.794 1.00 0.00 H new ATOM 0 HB2 PHE A 935 21.612 1.871 -5.574 1.00 0.00 H new ATOM 0 HB3 PHE A 935 21.561 1.932 -3.823 1.00 0.00 H new ATOM 0 HD1 PHE A 935 19.550 0.178 -2.934 1.00 0.00 H new ATOM 0 HD2 PHE A 935 22.018 -0.252 -6.378 1.00 0.00 H new ATOM 0 HE1 PHE A 935 19.232 -2.257 -2.856 1.00 0.00 H new ATOM 0 HE2 PHE A 935 21.702 -2.687 -6.305 1.00 0.00 H new ATOM 0 HZ PHE A 935 20.305 -3.694 -4.544 1.00 0.00 H new ATOM 334 N THR A 936 20.058 4.135 -6.433 1.00 0.00 N ATOM 335 CA THR A 936 20.327 5.484 -6.914 1.00 0.00 C ATOM 336 C THR A 936 19.357 6.489 -6.302 1.00 0.00 C ATOM 337 O THR A 936 19.730 7.623 -6.000 1.00 0.00 O ATOM 338 CB THR A 936 20.231 5.564 -8.449 1.00 0.00 C ATOM 339 OG1 THR A 936 18.905 5.229 -8.874 1.00 0.00 O ATOM 340 CG2 THR A 936 21.231 4.624 -9.103 1.00 0.00 C ATOM 0 H THR A 936 19.942 3.440 -7.171 1.00 0.00 H new ATOM 0 HA THR A 936 21.344 5.731 -6.609 1.00 0.00 H new ATOM 0 HB THR A 936 20.463 6.585 -8.753 1.00 0.00 H new ATOM 0 HG1 THR A 936 18.851 5.284 -9.851 1.00 0.00 H new ATOM 0 HG21 THR A 936 21.145 4.698 -10.187 1.00 0.00 H new ATOM 0 HG22 THR A 936 22.241 4.899 -8.800 1.00 0.00 H new ATOM 0 HG23 THR A 936 21.025 3.600 -8.792 1.00 0.00 H new ATOM 348 N VAL A 937 18.110 6.066 -6.121 1.00 0.00 N ATOM 349 CA VAL A 937 17.086 6.928 -5.544 1.00 0.00 C ATOM 350 C VAL A 937 17.641 7.733 -4.374 1.00 0.00 C ATOM 351 O VAL A 937 18.428 7.224 -3.575 1.00 0.00 O ATOM 352 CB VAL A 937 15.872 6.113 -5.061 1.00 0.00 C ATOM 353 CG1 VAL A 937 14.878 7.010 -4.340 1.00 0.00 C ATOM 354 CG2 VAL A 937 15.209 5.402 -6.232 1.00 0.00 C ATOM 0 H VAL A 937 17.785 5.131 -6.366 1.00 0.00 H new ATOM 0 HA VAL A 937 16.766 7.610 -6.332 1.00 0.00 H new ATOM 0 HB VAL A 937 16.220 5.358 -4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 937 14.027 6.416 -4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 937 15.361 7.469 -3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 937 14.532 7.789 -5.019 1.00 0.00 H new ATOM 0 HG21 VAL A 937 14.353 4.831 -5.873 1.00 0.00 H new ATOM 0 HG22 VAL A 937 14.873 6.139 -6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 937 15.925 4.727 -6.700 1.00 0.00 H new ATOM 364 N SER A 938 17.225 8.992 -4.278 1.00 0.00 N ATOM 365 CA SER A 938 17.684 9.869 -3.207 1.00 0.00 C ATOM 366 C SER A 938 16.603 10.878 -2.831 1.00 0.00 C ATOM 367 O SER A 938 15.566 10.967 -3.490 1.00 0.00 O ATOM 368 CB SER A 938 18.958 10.603 -3.630 1.00 0.00 C ATOM 369 OG SER A 938 20.093 9.763 -3.513 1.00 0.00 O ATOM 0 H SER A 938 16.571 9.427 -4.929 1.00 0.00 H new ATOM 0 HA SER A 938 17.901 9.253 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 938 18.859 10.945 -4.660 1.00 0.00 H new ATOM 0 HB3 SER A 938 19.093 11.490 -3.011 1.00 0.00 H new ATOM 0 HG SER A 938 19.802 8.833 -3.411 1.00 0.00 H new ATOM 375 N ILE A 939 16.853 11.635 -1.769 1.00 0.00 N ATOM 376 CA ILE A 939 15.903 12.638 -1.305 1.00 0.00 C ATOM 377 C ILE A 939 15.578 13.639 -2.409 1.00 0.00 C ATOM 378 O ILE A 939 14.423 14.023 -2.593 1.00 0.00 O ATOM 379 CB ILE A 939 16.441 13.399 -0.079 1.00 0.00 C ATOM 380 CG1 ILE A 939 16.635 12.441 1.098 1.00 0.00 C ATOM 381 CG2 ILE A 939 15.494 14.528 0.301 1.00 0.00 C ATOM 382 CD1 ILE A 939 17.567 12.975 2.163 1.00 0.00 C ATOM 0 H ILE A 939 17.706 11.573 -1.213 1.00 0.00 H new ATOM 0 HA ILE A 939 14.995 12.106 -1.022 1.00 0.00 H new ATOM 0 HB ILE A 939 17.408 13.832 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 939 15.665 12.230 1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 939 17.026 11.494 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 939 15.888 15.057 1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 939 15.401 15.222 -0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 939 14.514 14.116 0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 939 17.658 12.244 2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 939 18.549 13.160 1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 939 17.166 13.906 2.563 1.00 0.00 H new ATOM 394 N ASP A 940 16.605 14.058 -3.141 1.00 0.00 N ATOM 395 CA ASP A 940 16.429 15.012 -4.229 1.00 0.00 C ATOM 396 C ASP A 940 15.543 14.429 -5.325 1.00 0.00 C ATOM 397 O ASP A 940 14.631 15.093 -5.818 1.00 0.00 O ATOM 398 CB ASP A 940 17.786 15.410 -4.811 1.00 0.00 C ATOM 399 CG ASP A 940 18.495 16.451 -3.967 1.00 0.00 C ATOM 400 OD1 ASP A 940 18.760 16.171 -2.779 1.00 0.00 O ATOM 401 OD2 ASP A 940 18.785 17.546 -4.494 1.00 0.00 O ATOM 0 H ASP A 940 17.568 13.752 -3.000 1.00 0.00 H new ATOM 0 HA ASP A 940 15.941 15.899 -3.826 1.00 0.00 H new ATOM 0 HB2 ASP A 940 18.416 14.524 -4.895 1.00 0.00 H new ATOM 0 HB3 ASP A 940 17.646 15.798 -5.820 1.00 0.00 H new ATOM 406 N GLU A 941 15.818 13.185 -5.703 1.00 0.00 N ATOM 407 CA GLU A 941 15.046 12.514 -6.743 1.00 0.00 C ATOM 408 C GLU A 941 13.592 12.340 -6.314 1.00 0.00 C ATOM 409 O GLU A 941 12.671 12.567 -7.100 1.00 0.00 O ATOM 410 CB GLU A 941 15.661 11.150 -7.065 1.00 0.00 C ATOM 411 CG GLU A 941 17.045 11.238 -7.686 1.00 0.00 C ATOM 412 CD GLU A 941 17.362 10.051 -8.574 1.00 0.00 C ATOM 413 OE1 GLU A 941 17.460 8.924 -8.045 1.00 0.00 O ATOM 414 OE2 GLU A 941 17.514 10.248 -9.797 1.00 0.00 O ATOM 0 H GLU A 941 16.569 12.621 -5.305 1.00 0.00 H new ATOM 0 HA GLU A 941 15.071 13.136 -7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 941 15.720 10.562 -6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 941 15.000 10.614 -7.746 1.00 0.00 H new ATOM 0 HG2 GLU A 941 17.119 12.155 -8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 941 17.791 11.304 -6.894 1.00 0.00 H new ATOM 421 N ILE A 942 13.394 11.937 -5.064 1.00 0.00 N ATOM 422 CA ILE A 942 12.053 11.733 -4.531 1.00 0.00 C ATOM 423 C ILE A 942 11.266 13.040 -4.507 1.00 0.00 C ATOM 424 O ILE A 942 10.127 13.100 -4.972 1.00 0.00 O ATOM 425 CB ILE A 942 12.096 11.147 -3.107 1.00 0.00 C ATOM 426 CG1 ILE A 942 12.668 9.728 -3.133 1.00 0.00 C ATOM 427 CG2 ILE A 942 10.705 11.153 -2.490 1.00 0.00 C ATOM 428 CD1 ILE A 942 13.305 9.309 -1.827 1.00 0.00 C ATOM 0 H ILE A 942 14.145 11.745 -4.401 1.00 0.00 H new ATOM 0 HA ILE A 942 11.555 11.024 -5.192 1.00 0.00 H new ATOM 0 HB ILE A 942 12.747 11.769 -2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 942 11.870 9.028 -3.380 1.00 0.00 H new ATOM 0 HG13 ILE A 942 13.410 9.659 -3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 942 10.751 10.736 -1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 942 10.333 12.176 -2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 942 10.033 10.551 -3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 942 13.689 8.293 -1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 942 14.125 9.986 -1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 942 12.561 9.346 -1.031 1.00 0.00 H new ATOM 440 N LEU A 943 11.882 14.084 -3.964 1.00 0.00 N ATOM 441 CA LEU A 943 11.241 15.392 -3.882 1.00 0.00 C ATOM 442 C LEU A 943 10.877 15.909 -5.270 1.00 0.00 C ATOM 443 O LEU A 943 9.796 16.462 -5.474 1.00 0.00 O ATOM 444 CB LEU A 943 12.162 16.390 -3.178 1.00 0.00 C ATOM 445 CG LEU A 943 12.075 16.423 -1.652 1.00 0.00 C ATOM 446 CD1 LEU A 943 13.068 17.424 -1.082 1.00 0.00 C ATOM 447 CD2 LEU A 943 10.660 16.760 -1.205 1.00 0.00 C ATOM 0 H LEU A 943 12.824 14.051 -3.574 1.00 0.00 H new ATOM 0 HA LEU A 943 10.323 15.284 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 943 13.191 16.164 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 943 11.940 17.388 -3.556 1.00 0.00 H new ATOM 0 HG LEU A 943 12.329 15.433 -1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 943 12.991 17.434 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 943 14.079 17.139 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 943 12.846 18.418 -1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 943 10.617 16.779 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 943 10.378 17.737 -1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 943 9.970 16.005 -1.582 1.00 0.00 H new ATOM 459 N ASP A 944 11.786 15.724 -6.221 1.00 0.00 N ATOM 460 CA ASP A 944 11.560 16.168 -7.591 1.00 0.00 C ATOM 461 C ASP A 944 10.510 15.300 -8.278 1.00 0.00 C ATOM 462 O ASP A 944 9.762 15.772 -9.134 1.00 0.00 O ATOM 463 CB ASP A 944 12.867 16.133 -8.384 1.00 0.00 C ATOM 464 CG ASP A 944 12.783 16.923 -9.675 1.00 0.00 C ATOM 465 OD1 ASP A 944 11.923 16.592 -10.517 1.00 0.00 O ATOM 466 OD2 ASP A 944 13.578 17.871 -9.844 1.00 0.00 O ATOM 0 H ASP A 944 12.686 15.270 -6.068 1.00 0.00 H new ATOM 0 HA ASP A 944 11.192 17.194 -7.558 1.00 0.00 H new ATOM 0 HB2 ASP A 944 13.673 16.533 -7.769 1.00 0.00 H new ATOM 0 HB3 ASP A 944 13.123 15.098 -8.611 1.00 0.00 H new ATOM 471 N PHE A 945 10.463 14.027 -7.899 1.00 0.00 N ATOM 472 CA PHE A 945 9.507 13.092 -8.480 1.00 0.00 C ATOM 473 C PHE A 945 8.076 13.483 -8.120 1.00 0.00 C ATOM 474 O PHE A 945 7.160 13.343 -8.931 1.00 0.00 O ATOM 475 CB PHE A 945 9.795 11.669 -7.997 1.00 0.00 C ATOM 476 CG PHE A 945 8.749 10.672 -8.408 1.00 0.00 C ATOM 477 CD1 PHE A 945 8.482 10.441 -9.748 1.00 0.00 C ATOM 478 CD2 PHE A 945 8.032 9.968 -7.454 1.00 0.00 C ATOM 479 CE1 PHE A 945 7.520 9.524 -10.129 1.00 0.00 C ATOM 480 CE2 PHE A 945 7.070 9.050 -7.830 1.00 0.00 C ATOM 481 CZ PHE A 945 6.812 8.829 -9.169 1.00 0.00 C ATOM 0 H PHE A 945 11.076 13.620 -7.192 1.00 0.00 H new ATOM 0 HA PHE A 945 9.614 13.129 -9.564 1.00 0.00 H new ATOM 0 HB2 PHE A 945 10.762 11.351 -8.387 1.00 0.00 H new ATOM 0 HB3 PHE A 945 9.875 11.672 -6.910 1.00 0.00 H new ATOM 0 HD1 PHE A 945 9.032 10.983 -10.503 1.00 0.00 H new ATOM 0 HD2 PHE A 945 8.227 10.139 -6.406 1.00 0.00 H new ATOM 0 HE1 PHE A 945 7.323 9.352 -11.177 1.00 0.00 H new ATOM 0 HE2 PHE A 945 6.520 8.505 -7.077 1.00 0.00 H new ATOM 0 HZ PHE A 945 6.058 8.114 -9.464 1.00 0.00 H new ATOM 491 N PHE A 946 7.892 13.972 -6.899 1.00 0.00 N ATOM 492 CA PHE A 946 6.573 14.382 -6.430 1.00 0.00 C ATOM 493 C PHE A 946 6.305 15.844 -6.773 1.00 0.00 C ATOM 494 O PHE A 946 5.344 16.441 -6.285 1.00 0.00 O ATOM 495 CB PHE A 946 6.458 14.171 -4.919 1.00 0.00 C ATOM 496 CG PHE A 946 6.214 12.741 -4.530 1.00 0.00 C ATOM 497 CD1 PHE A 946 4.944 12.192 -4.616 1.00 0.00 C ATOM 498 CD2 PHE A 946 7.254 11.945 -4.078 1.00 0.00 C ATOM 499 CE1 PHE A 946 4.716 10.876 -4.260 1.00 0.00 C ATOM 500 CE2 PHE A 946 7.032 10.628 -3.720 1.00 0.00 C ATOM 501 CZ PHE A 946 5.761 10.094 -3.810 1.00 0.00 C ATOM 0 H PHE A 946 8.639 14.094 -6.216 1.00 0.00 H new ATOM 0 HA PHE A 946 5.827 13.766 -6.933 1.00 0.00 H new ATOM 0 HB2 PHE A 946 7.374 14.518 -4.441 1.00 0.00 H new ATOM 0 HB3 PHE A 946 5.645 14.787 -4.535 1.00 0.00 H new ATOM 0 HD1 PHE A 946 4.123 12.800 -4.965 1.00 0.00 H new ATOM 0 HD2 PHE A 946 8.249 12.358 -4.004 1.00 0.00 H new ATOM 0 HE1 PHE A 946 3.722 10.460 -4.334 1.00 0.00 H new ATOM 0 HE2 PHE A 946 7.851 10.017 -3.370 1.00 0.00 H new ATOM 0 HZ PHE A 946 5.585 9.066 -3.529 1.00 0.00 H new ATOM 511 N TYR A 947 7.159 16.415 -7.614 1.00 0.00 N ATOM 512 CA TYR A 947 7.017 17.808 -8.021 1.00 0.00 C ATOM 513 C TYR A 947 5.582 18.107 -8.445 1.00 0.00 C ATOM 514 O TYR A 947 4.899 17.256 -9.013 1.00 0.00 O ATOM 515 CB TYR A 947 7.976 18.127 -9.168 1.00 0.00 C ATOM 516 CG TYR A 947 8.022 19.594 -9.529 1.00 0.00 C ATOM 517 CD1 TYR A 947 8.687 20.508 -8.720 1.00 0.00 C ATOM 518 CD2 TYR A 947 7.400 20.067 -10.678 1.00 0.00 C ATOM 519 CE1 TYR A 947 8.731 21.850 -9.045 1.00 0.00 C ATOM 520 CE2 TYR A 947 7.440 21.407 -11.012 1.00 0.00 C ATOM 521 CZ TYR A 947 8.106 22.295 -10.192 1.00 0.00 C ATOM 522 OH TYR A 947 8.147 23.630 -10.520 1.00 0.00 O ATOM 0 H TYR A 947 7.958 15.935 -8.028 1.00 0.00 H new ATOM 0 HA TYR A 947 7.263 18.437 -7.166 1.00 0.00 H new ATOM 0 HB2 TYR A 947 8.978 17.797 -8.895 1.00 0.00 H new ATOM 0 HB3 TYR A 947 7.681 17.554 -10.047 1.00 0.00 H new ATOM 0 HD1 TYR A 947 9.178 20.163 -7.822 1.00 0.00 H new ATOM 0 HD2 TYR A 947 6.876 19.375 -11.321 1.00 0.00 H new ATOM 0 HE1 TYR A 947 9.252 22.547 -8.405 1.00 0.00 H new ATOM 0 HE2 TYR A 947 6.953 21.758 -11.910 1.00 0.00 H new ATOM 0 HH TYR A 947 7.660 23.776 -11.358 1.00 0.00 H new ATOM 532 N GLY A 948 5.131 19.326 -8.164 1.00 0.00 N ATOM 533 CA GLY A 948 3.781 19.719 -8.523 1.00 0.00 C ATOM 534 C GLY A 948 2.805 19.555 -7.374 1.00 0.00 C ATOM 535 O GLY A 948 1.971 20.428 -7.130 1.00 0.00 O ATOM 0 H GLY A 948 5.677 20.048 -7.694 1.00 0.00 H new ATOM 0 HA2 GLY A 948 3.783 20.759 -8.848 1.00 0.00 H new ATOM 0 HA3 GLY A 948 3.445 19.121 -9.370 1.00 0.00 H new ATOM 539 N TYR A 949 2.907 18.435 -6.669 1.00 0.00 N ATOM 540 CA TYR A 949 2.024 18.157 -5.542 1.00 0.00 C ATOM 541 C TYR A 949 2.627 18.669 -4.238 1.00 0.00 C ATOM 542 O TYR A 949 3.799 18.432 -3.949 1.00 0.00 O ATOM 543 CB TYR A 949 1.753 16.656 -5.437 1.00 0.00 C ATOM 544 CG TYR A 949 1.161 16.058 -6.693 1.00 0.00 C ATOM 545 CD1 TYR A 949 -0.174 16.262 -7.021 1.00 0.00 C ATOM 546 CD2 TYR A 949 1.936 15.288 -7.552 1.00 0.00 C ATOM 547 CE1 TYR A 949 -0.719 15.717 -8.168 1.00 0.00 C ATOM 548 CE2 TYR A 949 1.399 14.740 -8.701 1.00 0.00 C ATOM 549 CZ TYR A 949 0.071 14.957 -9.004 1.00 0.00 C ATOM 550 OH TYR A 949 -0.467 14.412 -10.148 1.00 0.00 O ATOM 0 H TYR A 949 3.593 17.704 -6.858 1.00 0.00 H new ATOM 0 HA TYR A 949 1.082 18.678 -5.715 1.00 0.00 H new ATOM 0 HB2 TYR A 949 2.686 16.142 -5.205 1.00 0.00 H new ATOM 0 HB3 TYR A 949 1.074 16.475 -4.604 1.00 0.00 H new ATOM 0 HD1 TYR A 949 -0.796 16.857 -6.368 1.00 0.00 H new ATOM 0 HD2 TYR A 949 2.976 15.115 -7.317 1.00 0.00 H new ATOM 0 HE1 TYR A 949 -1.758 15.886 -8.408 1.00 0.00 H new ATOM 0 HE2 TYR A 949 2.016 14.145 -9.358 1.00 0.00 H new ATOM 0 HH TYR A 949 0.255 14.116 -10.740 1.00 0.00 H new ATOM 560 N GLN A 950 1.816 19.373 -3.454 1.00 0.00 N ATOM 561 CA GLN A 950 2.269 19.918 -2.180 1.00 0.00 C ATOM 562 C GLN A 950 2.592 18.801 -1.194 1.00 0.00 C ATOM 563 O GLN A 950 1.715 18.315 -0.480 1.00 0.00 O ATOM 564 CB GLN A 950 1.203 20.843 -1.590 1.00 0.00 C ATOM 565 CG GLN A 950 -0.144 20.169 -1.388 1.00 0.00 C ATOM 566 CD GLN A 950 -1.285 21.162 -1.283 1.00 0.00 C ATOM 567 OE1 GLN A 950 -1.910 21.297 -0.230 1.00 0.00 O ATOM 568 NE2 GLN A 950 -1.562 21.864 -2.375 1.00 0.00 N ATOM 0 H GLN A 950 0.843 19.579 -3.679 1.00 0.00 H new ATOM 0 HA GLN A 950 3.178 20.491 -2.361 1.00 0.00 H new ATOM 0 HB2 GLN A 950 1.556 21.225 -0.632 1.00 0.00 H new ATOM 0 HB3 GLN A 950 1.075 21.702 -2.248 1.00 0.00 H new ATOM 0 HG2 GLN A 950 -0.334 19.490 -2.219 1.00 0.00 H new ATOM 0 HG3 GLN A 950 -0.110 19.563 -0.482 1.00 0.00 H new ATOM 0 HE21 GLN A 950 -1.018 21.720 -3.226 1.00 0.00 H new ATOM 0 HE22 GLN A 950 -2.319 22.548 -2.363 1.00 0.00 H new ATOM 577 N VAL A 951 3.858 18.398 -1.159 1.00 0.00 N ATOM 578 CA VAL A 951 4.299 17.339 -0.259 1.00 0.00 C ATOM 579 C VAL A 951 4.670 17.899 1.110 1.00 0.00 C ATOM 580 O VAL A 951 5.502 18.800 1.217 1.00 0.00 O ATOM 581 CB VAL A 951 5.508 16.579 -0.836 1.00 0.00 C ATOM 582 CG1 VAL A 951 5.974 15.503 0.133 1.00 0.00 C ATOM 583 CG2 VAL A 951 5.162 15.976 -2.189 1.00 0.00 C ATOM 0 H VAL A 951 4.597 18.789 -1.744 1.00 0.00 H new ATOM 0 HA VAL A 951 3.463 16.648 -0.151 1.00 0.00 H new ATOM 0 HB VAL A 951 6.326 17.286 -0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 951 6.829 14.977 -0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 951 6.264 15.964 1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 951 5.163 14.796 0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 951 6.028 15.443 -2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 951 4.329 15.282 -2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 951 4.881 16.770 -2.880 1.00 0.00 H new ATOM 593 N ILE A 952 4.048 17.359 2.152 1.00 0.00 N ATOM 594 CA ILE A 952 4.314 17.804 3.514 1.00 0.00 C ATOM 595 C ILE A 952 5.810 17.801 3.811 1.00 0.00 C ATOM 596 O ILE A 952 6.528 16.850 3.501 1.00 0.00 O ATOM 597 CB ILE A 952 3.596 16.917 4.548 1.00 0.00 C ATOM 598 CG1 ILE A 952 2.083 16.953 4.320 1.00 0.00 C ATOM 599 CG2 ILE A 952 3.935 17.367 5.960 1.00 0.00 C ATOM 600 CD1 ILE A 952 1.305 16.089 5.287 1.00 0.00 C ATOM 0 H ILE A 952 3.356 16.613 2.079 1.00 0.00 H new ATOM 0 HA ILE A 952 3.931 18.822 3.593 1.00 0.00 H new ATOM 0 HB ILE A 952 3.939 15.890 4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 952 1.735 17.983 4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 952 1.869 16.627 3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 952 3.419 16.730 6.679 1.00 0.00 H new ATOM 0 HG22 ILE A 952 5.011 17.294 6.117 1.00 0.00 H new ATOM 0 HG23 ILE A 952 3.618 18.401 6.099 1.00 0.00 H new ATOM 0 HD11 ILE A 952 0.240 16.164 5.066 1.00 0.00 H new ATOM 0 HD12 ILE A 952 1.625 15.052 5.186 1.00 0.00 H new ATOM 0 HD13 ILE A 952 1.489 16.428 6.307 1.00 0.00 H new ATOM 612 N PRO A 953 6.293 18.889 4.429 1.00 0.00 N ATOM 613 CA PRO A 953 7.708 19.035 4.783 1.00 0.00 C ATOM 614 C PRO A 953 8.124 18.093 5.907 1.00 0.00 C ATOM 615 O PRO A 953 7.507 18.069 6.971 1.00 0.00 O ATOM 616 CB PRO A 953 7.810 20.492 5.242 1.00 0.00 C ATOM 617 CG PRO A 953 6.437 20.841 5.703 1.00 0.00 C ATOM 618 CD PRO A 953 5.496 20.061 4.828 1.00 0.00 C ATOM 0 HA PRO A 953 8.364 18.789 3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 953 8.538 20.604 6.046 1.00 0.00 H new ATOM 0 HB3 PRO A 953 8.131 21.142 4.428 1.00 0.00 H new ATOM 0 HG2 PRO A 953 6.300 20.581 6.753 1.00 0.00 H new ATOM 0 HG3 PRO A 953 6.256 21.912 5.614 1.00 0.00 H new ATOM 0 HD2 PRO A 953 4.595 19.769 5.367 1.00 0.00 H new ATOM 0 HD3 PRO A 953 5.176 20.643 3.963 1.00 0.00 H new ATOM 626 N GLY A 954 9.176 17.316 5.664 1.00 0.00 N ATOM 627 CA GLY A 954 9.657 16.383 6.665 1.00 0.00 C ATOM 628 C GLY A 954 8.886 15.078 6.659 1.00 0.00 C ATOM 629 O GLY A 954 9.003 14.274 7.584 1.00 0.00 O ATOM 0 H GLY A 954 9.703 17.317 4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 954 10.713 16.178 6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 954 9.581 16.842 7.651 1.00 0.00 H new ATOM 633 N SER A 955 8.093 14.866 5.613 1.00 0.00 N ATOM 634 CA SER A 955 7.294 13.651 5.493 1.00 0.00 C ATOM 635 C SER A 955 8.122 12.514 4.902 1.00 0.00 C ATOM 636 O SER A 955 8.140 11.403 5.433 1.00 0.00 O ATOM 637 CB SER A 955 6.064 13.909 4.620 1.00 0.00 C ATOM 638 OG SER A 955 6.429 14.076 3.261 1.00 0.00 O ATOM 0 H SER A 955 7.987 15.519 4.837 1.00 0.00 H new ATOM 0 HA SER A 955 6.967 13.359 6.491 1.00 0.00 H new ATOM 0 HB2 SER A 955 5.367 13.076 4.713 1.00 0.00 H new ATOM 0 HB3 SER A 955 5.544 14.800 4.972 1.00 0.00 H new ATOM 0 HG SER A 955 6.534 15.031 3.065 1.00 0.00 H new ATOM 644 N VAL A 956 8.806 12.799 3.798 1.00 0.00 N ATOM 645 CA VAL A 956 9.637 11.802 3.135 1.00 0.00 C ATOM 646 C VAL A 956 10.429 10.984 4.148 1.00 0.00 C ATOM 647 O VAL A 956 11.378 11.479 4.756 1.00 0.00 O ATOM 648 CB VAL A 956 10.617 12.458 2.143 1.00 0.00 C ATOM 649 CG1 VAL A 956 11.482 11.403 1.470 1.00 0.00 C ATOM 650 CG2 VAL A 956 9.859 13.277 1.109 1.00 0.00 C ATOM 0 H VAL A 956 8.801 13.713 3.344 1.00 0.00 H new ATOM 0 HA VAL A 956 8.963 11.143 2.587 1.00 0.00 H new ATOM 0 HB VAL A 956 11.272 13.131 2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 956 12.168 11.885 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 956 12.053 10.864 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 956 10.846 10.703 0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 956 10.566 13.733 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 956 9.179 12.628 0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 956 9.288 14.058 1.611 1.00 0.00 H new ATOM 660 N CYS A 957 10.032 9.728 4.325 1.00 0.00 N ATOM 661 CA CYS A 957 10.705 8.839 5.266 1.00 0.00 C ATOM 662 C CYS A 957 11.364 7.673 4.537 1.00 0.00 C ATOM 663 O CYS A 957 10.683 6.795 4.005 1.00 0.00 O ATOM 664 CB CYS A 957 9.710 8.312 6.302 1.00 0.00 C ATOM 665 SG CYS A 957 10.484 7.586 7.766 1.00 0.00 S ATOM 0 H CYS A 957 9.248 9.303 3.830 1.00 0.00 H new ATOM 0 HA CYS A 957 11.481 9.410 5.775 1.00 0.00 H new ATOM 0 HB2 CYS A 957 9.061 9.130 6.615 1.00 0.00 H new ATOM 0 HB3 CYS A 957 9.074 7.562 5.831 1.00 0.00 H new ATOM 0 HG CYS A 957 9.562 7.171 8.584 1.00 0.00 H new ATOM 671 N LEU A 958 12.692 7.672 4.514 1.00 0.00 N ATOM 672 CA LEU A 958 13.444 6.614 3.848 1.00 0.00 C ATOM 673 C LEU A 958 13.706 5.451 4.798 1.00 0.00 C ATOM 674 O LEU A 958 14.147 5.647 5.931 1.00 0.00 O ATOM 675 CB LEU A 958 14.770 7.162 3.316 1.00 0.00 C ATOM 676 CG LEU A 958 14.688 7.987 2.031 1.00 0.00 C ATOM 677 CD1 LEU A 958 15.942 8.830 1.857 1.00 0.00 C ATOM 678 CD2 LEU A 958 14.483 7.079 0.827 1.00 0.00 C ATOM 0 H LEU A 958 13.270 8.391 4.948 1.00 0.00 H new ATOM 0 HA LEU A 958 12.847 6.248 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 958 15.223 7.779 4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 958 15.444 6.323 3.143 1.00 0.00 H new ATOM 0 HG LEU A 958 13.832 8.657 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 958 15.866 9.410 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 958 16.046 9.507 2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 958 16.814 8.178 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 958 14.427 7.683 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 958 15.319 6.384 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 958 13.556 6.519 0.948 1.00 0.00 H new ATOM 690 N LYS A 959 13.434 4.238 4.329 1.00 0.00 N ATOM 691 CA LYS A 959 13.644 3.041 5.135 1.00 0.00 C ATOM 692 C LYS A 959 14.932 2.331 4.731 1.00 0.00 C ATOM 693 O LYS A 959 15.188 2.116 3.546 1.00 0.00 O ATOM 694 CB LYS A 959 12.456 2.087 4.987 1.00 0.00 C ATOM 695 CG LYS A 959 12.501 0.906 5.941 1.00 0.00 C ATOM 696 CD LYS A 959 11.850 1.239 7.273 1.00 0.00 C ATOM 697 CE LYS A 959 12.237 0.237 8.349 1.00 0.00 C ATOM 698 NZ LYS A 959 11.478 -1.038 8.219 1.00 0.00 N ATOM 0 H LYS A 959 13.067 4.058 3.394 1.00 0.00 H new ATOM 0 HA LYS A 959 13.730 3.347 6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 959 11.533 2.642 5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 959 12.425 1.715 3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 959 11.993 0.053 5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 959 13.537 0.609 6.105 1.00 0.00 H new ATOM 0 HD2 LYS A 959 12.147 2.241 7.584 1.00 0.00 H new ATOM 0 HD3 LYS A 959 10.766 1.249 7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 959 13.306 0.031 8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 959 12.053 0.671 9.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 11.771 -1.694 8.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 10.459 -0.846 8.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 11.673 -1.465 7.291 1.00 0.00 H new ATOM 712 N TYR A 960 15.739 1.969 5.723 1.00 0.00 N ATOM 713 CA TYR A 960 17.001 1.285 5.470 1.00 0.00 C ATOM 714 C TYR A 960 17.061 -0.042 6.221 1.00 0.00 C ATOM 715 O TYR A 960 16.361 -0.238 7.213 1.00 0.00 O ATOM 716 CB TYR A 960 18.177 2.171 5.883 1.00 0.00 C ATOM 717 CG TYR A 960 18.132 3.557 5.281 1.00 0.00 C ATOM 718 CD1 TYR A 960 17.274 4.527 5.783 1.00 0.00 C ATOM 719 CD2 TYR A 960 18.949 3.896 4.209 1.00 0.00 C ATOM 720 CE1 TYR A 960 17.229 5.794 5.235 1.00 0.00 C ATOM 721 CE2 TYR A 960 18.912 5.162 3.656 1.00 0.00 C ATOM 722 CZ TYR A 960 18.050 6.107 4.171 1.00 0.00 C ATOM 723 OH TYR A 960 18.009 7.368 3.623 1.00 0.00 O ATOM 0 H TYR A 960 15.541 2.138 6.709 1.00 0.00 H new ATOM 0 HA TYR A 960 17.067 1.081 4.401 1.00 0.00 H new ATOM 0 HB2 TYR A 960 18.193 2.256 6.970 1.00 0.00 H new ATOM 0 HB3 TYR A 960 19.108 1.686 5.588 1.00 0.00 H new ATOM 0 HD1 TYR A 960 16.631 4.286 6.616 1.00 0.00 H new ATOM 0 HD2 TYR A 960 19.624 3.158 3.801 1.00 0.00 H new ATOM 0 HE1 TYR A 960 16.555 6.536 5.637 1.00 0.00 H new ATOM 0 HE2 TYR A 960 19.555 5.410 2.825 1.00 0.00 H new ATOM 0 HH TYR A 960 18.649 7.424 2.883 1.00 0.00 H new ATOM 733 N ASN A 961 17.904 -0.950 5.739 1.00 0.00 N ATOM 734 CA ASN A 961 18.057 -2.259 6.364 1.00 0.00 C ATOM 735 C ASN A 961 18.688 -2.131 7.747 1.00 0.00 C ATOM 736 O ASN A 961 18.914 -1.025 8.236 1.00 0.00 O ATOM 737 CB ASN A 961 18.912 -3.171 5.482 1.00 0.00 C ATOM 738 CG ASN A 961 18.548 -3.063 4.014 1.00 0.00 C ATOM 739 OD1 ASN A 961 19.176 -2.123 3.316 1.00 0.00 O flip ATOM 740 ND2 ASN A 961 17.713 -3.816 3.513 1.00 0.00 N flip ATOM 0 H ASN A 961 18.491 -0.803 4.918 1.00 0.00 H new ATOM 0 HA ASN A 961 17.066 -2.699 6.476 1.00 0.00 H new ATOM 0 HB2 ASN A 961 19.964 -2.916 5.612 1.00 0.00 H new ATOM 0 HB3 ASN A 961 18.792 -4.204 5.808 1.00 0.00 H new ATOM 0 HD21 ASN A 961 17.255 -4.524 4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 961 17.479 -3.732 2.524 1.00 0.00 H new ATOM 747 N GLU A 962 18.970 -3.271 8.370 1.00 0.00 N ATOM 748 CA GLU A 962 19.576 -3.286 9.696 1.00 0.00 C ATOM 749 C GLU A 962 21.028 -2.822 9.637 1.00 0.00 C ATOM 750 O GLU A 962 21.662 -2.594 10.667 1.00 0.00 O ATOM 751 CB GLU A 962 19.502 -4.690 10.299 1.00 0.00 C ATOM 752 CG GLU A 962 20.261 -5.736 9.500 1.00 0.00 C ATOM 753 CD GLU A 962 21.721 -5.829 9.898 1.00 0.00 C ATOM 754 OE1 GLU A 962 22.172 -4.982 10.698 1.00 0.00 O ATOM 755 OE2 GLU A 962 22.413 -6.746 9.409 1.00 0.00 O ATOM 0 H GLU A 962 18.789 -4.195 7.978 1.00 0.00 H new ATOM 0 HA GLU A 962 19.018 -2.596 10.329 1.00 0.00 H new ATOM 0 HB2 GLU A 962 19.899 -4.662 11.314 1.00 0.00 H new ATOM 0 HB3 GLU A 962 18.457 -4.990 10.373 1.00 0.00 H new ATOM 0 HG2 GLU A 962 19.788 -6.708 9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 962 20.192 -5.497 8.439 1.00 0.00 H new ATOM 762 N LYS A 963 21.550 -2.684 8.423 1.00 0.00 N ATOM 763 CA LYS A 963 22.927 -2.247 8.226 1.00 0.00 C ATOM 764 C LYS A 963 22.990 -0.743 7.978 1.00 0.00 C ATOM 765 O LYS A 963 23.952 -0.080 8.362 1.00 0.00 O ATOM 766 CB LYS A 963 23.558 -2.995 7.050 1.00 0.00 C ATOM 767 CG LYS A 963 23.199 -4.470 7.005 1.00 0.00 C ATOM 768 CD LYS A 963 21.935 -4.712 6.198 1.00 0.00 C ATOM 769 CE LYS A 963 21.925 -6.102 5.580 1.00 0.00 C ATOM 770 NZ LYS A 963 22.908 -6.221 4.467 1.00 0.00 N ATOM 0 H LYS A 963 21.039 -2.869 7.560 1.00 0.00 H new ATOM 0 HA LYS A 963 23.487 -2.472 9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 963 23.242 -2.524 6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 963 24.642 -2.895 7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 963 24.024 -5.033 6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 963 23.061 -4.843 8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 963 21.063 -4.592 6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 963 21.856 -3.962 5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 963 22.153 -6.842 6.347 1.00 0.00 H new ATOM 0 HE3 LYS A 963 20.926 -6.327 5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 963 22.662 -7.038 3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 963 22.888 -5.355 3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 963 23.862 -6.354 4.859 1.00 0.00 H new ATOM 784 N GLY A 964 21.956 -0.210 7.334 1.00 0.00 N ATOM 785 CA GLY A 964 21.914 1.212 7.047 1.00 0.00 C ATOM 786 C GLY A 964 21.642 1.501 5.584 1.00 0.00 C ATOM 787 O GLY A 964 21.246 2.610 5.227 1.00 0.00 O ATOM 0 H GLY A 964 21.147 -0.737 7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 964 21.141 1.680 7.656 1.00 0.00 H new ATOM 0 HA3 GLY A 964 22.863 1.665 7.333 1.00 0.00 H new ATOM 791 N MET A 965 21.855 0.501 4.735 1.00 0.00 N ATOM 792 CA MET A 965 21.630 0.653 3.303 1.00 0.00 C ATOM 793 C MET A 965 20.145 0.826 3.001 1.00 0.00 C ATOM 794 O MET A 965 19.278 0.393 3.761 1.00 0.00 O ATOM 795 CB MET A 965 22.179 -0.558 2.547 1.00 0.00 C ATOM 796 CG MET A 965 23.697 -0.593 2.475 1.00 0.00 C ATOM 797 SD MET A 965 24.327 -2.163 1.851 1.00 0.00 S ATOM 798 CE MET A 965 26.093 -1.902 1.997 1.00 0.00 C ATOM 0 H MET A 965 22.183 -0.423 5.014 1.00 0.00 H new ATOM 0 HA MET A 965 22.156 1.548 2.971 1.00 0.00 H new ATOM 0 HB2 MET A 965 21.825 -1.469 3.031 1.00 0.00 H new ATOM 0 HB3 MET A 965 21.775 -0.557 1.534 1.00 0.00 H new ATOM 0 HG2 MET A 965 24.045 0.215 1.832 1.00 0.00 H new ATOM 0 HG3 MET A 965 24.108 -0.410 3.468 1.00 0.00 H new ATOM 0 HE1 MET A 965 26.622 -2.789 1.648 1.00 0.00 H new ATOM 0 HE2 MET A 965 26.385 -1.044 1.392 1.00 0.00 H new ATOM 0 HE3 MET A 965 26.348 -1.714 3.040 1.00 0.00 H new ATOM 808 N PRO A 966 19.842 1.473 1.865 1.00 0.00 N ATOM 809 CA PRO A 966 18.462 1.717 1.437 1.00 0.00 C ATOM 810 C PRO A 966 17.752 0.436 1.012 1.00 0.00 C ATOM 811 O PRO A 966 18.248 -0.311 0.168 1.00 0.00 O ATOM 812 CB PRO A 966 18.622 2.661 0.243 1.00 0.00 C ATOM 813 CG PRO A 966 19.987 2.377 -0.283 1.00 0.00 C ATOM 814 CD PRO A 966 20.824 2.015 0.912 1.00 0.00 C ATOM 0 HA PRO A 966 17.852 2.126 2.242 1.00 0.00 H new ATOM 0 HB2 PRO A 966 17.860 2.475 -0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 966 18.523 3.703 0.546 1.00 0.00 H new ATOM 0 HG2 PRO A 966 19.965 1.561 -1.006 1.00 0.00 H new ATOM 0 HG3 PRO A 966 20.396 3.247 -0.797 1.00 0.00 H new ATOM 0 HD2 PRO A 966 21.587 1.279 0.660 1.00 0.00 H new ATOM 0 HD3 PRO A 966 21.341 2.884 1.319 1.00 0.00 H new ATOM 822 N THR A 967 16.587 0.187 1.602 1.00 0.00 N ATOM 823 CA THR A 967 15.809 -1.004 1.285 1.00 0.00 C ATOM 824 C THR A 967 14.905 -0.766 0.080 1.00 0.00 C ATOM 825 O THR A 967 14.001 -1.553 -0.195 1.00 0.00 O ATOM 826 CB THR A 967 14.944 -1.446 2.481 1.00 0.00 C ATOM 827 OG1 THR A 967 13.934 -0.466 2.744 1.00 0.00 O ATOM 828 CG2 THR A 967 15.800 -1.645 3.723 1.00 0.00 C ATOM 0 H THR A 967 16.162 0.795 2.302 1.00 0.00 H new ATOM 0 HA THR A 967 16.523 -1.794 1.051 1.00 0.00 H new ATOM 0 HB THR A 967 14.471 -2.395 2.228 1.00 0.00 H new ATOM 0 HG1 THR A 967 14.357 0.377 3.008 1.00 0.00 H new ATOM 0 HG21 THR A 967 15.168 -1.957 4.554 1.00 0.00 H new ATOM 0 HG22 THR A 967 16.549 -2.412 3.529 1.00 0.00 H new ATOM 0 HG23 THR A 967 16.297 -0.708 3.976 1.00 0.00 H new ATOM 836 N GLY A 968 15.157 0.325 -0.636 1.00 0.00 N ATOM 837 CA GLY A 968 14.358 0.647 -1.804 1.00 0.00 C ATOM 838 C GLY A 968 12.911 0.933 -1.455 1.00 0.00 C ATOM 839 O GLY A 968 12.011 0.678 -2.255 1.00 0.00 O ATOM 0 H GLY A 968 15.900 0.992 -0.428 1.00 0.00 H new ATOM 0 HA2 GLY A 968 14.786 1.515 -2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 968 14.401 -0.182 -2.510 1.00 0.00 H new ATOM 843 N GLU A 969 12.687 1.465 -0.258 1.00 0.00 N ATOM 844 CA GLU A 969 11.338 1.784 0.195 1.00 0.00 C ATOM 845 C GLU A 969 11.290 3.173 0.825 1.00 0.00 C ATOM 846 O GLU A 969 12.243 3.607 1.471 1.00 0.00 O ATOM 847 CB GLU A 969 10.854 0.738 1.202 1.00 0.00 C ATOM 848 CG GLU A 969 10.440 -0.577 0.563 1.00 0.00 C ATOM 849 CD GLU A 969 10.395 -1.720 1.557 1.00 0.00 C ATOM 850 OE1 GLU A 969 9.656 -1.607 2.558 1.00 0.00 O ATOM 851 OE2 GLU A 969 11.098 -2.728 1.336 1.00 0.00 O ATOM 0 H GLU A 969 13.421 1.684 0.415 1.00 0.00 H new ATOM 0 HA GLU A 969 10.679 1.775 -0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 969 11.648 0.547 1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 969 10.009 1.144 1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 969 9.458 -0.460 0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 969 11.138 -0.824 -0.237 1.00 0.00 H new ATOM 858 N ALA A 970 10.172 3.865 0.632 1.00 0.00 N ATOM 859 CA ALA A 970 9.998 5.204 1.181 1.00 0.00 C ATOM 860 C ALA A 970 8.530 5.488 1.482 1.00 0.00 C ATOM 861 O ALA A 970 7.638 4.963 0.816 1.00 0.00 O ATOM 862 CB ALA A 970 10.552 6.245 0.220 1.00 0.00 C ATOM 0 H ALA A 970 9.373 3.520 0.100 1.00 0.00 H new ATOM 0 HA ALA A 970 10.552 5.260 2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 970 10.415 7.240 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 970 11.614 6.062 0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 970 10.024 6.180 -0.731 1.00 0.00 H new ATOM 868 N MET A 971 8.287 6.320 2.489 1.00 0.00 N ATOM 869 CA MET A 971 6.927 6.673 2.878 1.00 0.00 C ATOM 870 C MET A 971 6.731 8.185 2.858 1.00 0.00 C ATOM 871 O MET A 971 7.646 8.944 3.180 1.00 0.00 O ATOM 872 CB MET A 971 6.612 6.124 4.270 1.00 0.00 C ATOM 873 CG MET A 971 6.171 4.669 4.265 1.00 0.00 C ATOM 874 SD MET A 971 6.356 3.881 5.876 1.00 0.00 S ATOM 875 CE MET A 971 4.918 2.814 5.899 1.00 0.00 C ATOM 0 H MET A 971 9.014 6.762 3.051 1.00 0.00 H new ATOM 0 HA MET A 971 6.243 6.226 2.157 1.00 0.00 H new ATOM 0 HB2 MET A 971 7.496 6.225 4.900 1.00 0.00 H new ATOM 0 HB3 MET A 971 5.828 6.731 4.722 1.00 0.00 H new ATOM 0 HG2 MET A 971 5.128 4.611 3.954 1.00 0.00 H new ATOM 0 HG3 MET A 971 6.755 4.119 3.527 1.00 0.00 H new ATOM 0 HE1 MET A 971 4.892 2.258 6.836 1.00 0.00 H new ATOM 0 HE2 MET A 971 4.015 3.418 5.811 1.00 0.00 H new ATOM 0 HE3 MET A 971 4.970 2.115 5.064 1.00 0.00 H new ATOM 885 N VAL A 972 5.533 8.618 2.479 1.00 0.00 N ATOM 886 CA VAL A 972 5.217 10.040 2.419 1.00 0.00 C ATOM 887 C VAL A 972 3.812 10.314 2.943 1.00 0.00 C ATOM 888 O VAL A 972 3.007 9.396 3.099 1.00 0.00 O ATOM 889 CB VAL A 972 5.330 10.580 0.980 1.00 0.00 C ATOM 890 CG1 VAL A 972 6.783 10.598 0.530 1.00 0.00 C ATOM 891 CG2 VAL A 972 4.480 9.748 0.031 1.00 0.00 C ATOM 0 H VAL A 972 4.765 8.004 2.209 1.00 0.00 H new ATOM 0 HA VAL A 972 5.943 10.552 3.050 1.00 0.00 H new ATOM 0 HB VAL A 972 4.956 11.604 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 972 6.844 10.982 -0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 972 7.362 11.239 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 972 7.186 9.586 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 972 4.571 10.143 -0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 972 4.822 8.713 0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 972 3.437 9.791 0.344 1.00 0.00 H new ATOM 901 N ALA A 973 3.524 11.583 3.213 1.00 0.00 N ATOM 902 CA ALA A 973 2.215 11.978 3.718 1.00 0.00 C ATOM 903 C ALA A 973 1.626 13.114 2.887 1.00 0.00 C ATOM 904 O ALA A 973 2.356 13.872 2.248 1.00 0.00 O ATOM 905 CB ALA A 973 2.315 12.388 5.180 1.00 0.00 C ATOM 0 H ALA A 973 4.179 12.355 3.090 1.00 0.00 H new ATOM 0 HA ALA A 973 1.548 11.120 3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 973 1.330 12.681 5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 973 2.685 11.549 5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 973 3.002 13.229 5.276 1.00 0.00 H new ATOM 911 N PHE A 974 0.302 13.225 2.900 1.00 0.00 N ATOM 912 CA PHE A 974 -0.384 14.268 2.146 1.00 0.00 C ATOM 913 C PHE A 974 -1.486 14.909 2.985 1.00 0.00 C ATOM 914 O PHE A 974 -2.191 14.227 3.728 1.00 0.00 O ATOM 915 CB PHE A 974 -0.978 13.690 0.860 1.00 0.00 C ATOM 916 CG PHE A 974 0.008 13.606 -0.270 1.00 0.00 C ATOM 917 CD1 PHE A 974 1.009 12.648 -0.264 1.00 0.00 C ATOM 918 CD2 PHE A 974 -0.066 14.484 -1.339 1.00 0.00 C ATOM 919 CE1 PHE A 974 1.918 12.569 -1.302 1.00 0.00 C ATOM 920 CE2 PHE A 974 0.840 14.410 -2.380 1.00 0.00 C ATOM 921 CZ PHE A 974 1.833 13.450 -2.362 1.00 0.00 C ATOM 0 H PHE A 974 -0.317 12.606 3.424 1.00 0.00 H new ATOM 0 HA PHE A 974 0.346 15.035 1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 974 -1.369 12.693 1.066 1.00 0.00 H new ATOM 0 HB3 PHE A 974 -1.822 14.306 0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 974 1.080 11.955 0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 974 -0.841 15.236 -1.359 1.00 0.00 H new ATOM 0 HE1 PHE A 974 2.694 11.819 -1.284 1.00 0.00 H new ATOM 0 HE2 PHE A 974 0.772 15.102 -3.206 1.00 0.00 H new ATOM 0 HZ PHE A 974 2.541 13.389 -3.175 1.00 0.00 H new ATOM 931 N GLU A 975 -1.627 16.225 2.859 1.00 0.00 N ATOM 932 CA GLU A 975 -2.642 16.958 3.606 1.00 0.00 C ATOM 933 C GLU A 975 -4.037 16.671 3.057 1.00 0.00 C ATOM 934 O GLU A 975 -5.001 16.550 3.812 1.00 0.00 O ATOM 935 CB GLU A 975 -2.361 18.461 3.552 1.00 0.00 C ATOM 936 CG GLU A 975 -0.921 18.823 3.878 1.00 0.00 C ATOM 937 CD GLU A 975 -0.034 18.850 2.648 1.00 0.00 C ATOM 938 OE1 GLU A 975 -0.456 18.319 1.600 1.00 0.00 O ATOM 939 OE2 GLU A 975 1.082 19.403 2.735 1.00 0.00 O ATOM 0 H GLU A 975 -1.052 16.804 2.247 1.00 0.00 H new ATOM 0 HA GLU A 975 -2.603 16.625 4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 975 -2.604 18.832 2.556 1.00 0.00 H new ATOM 0 HB3 GLU A 975 -3.023 18.971 4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 975 -0.896 19.800 4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 975 -0.522 18.104 4.593 1.00 0.00 H new ATOM 946 N SER A 976 -4.134 16.563 1.736 1.00 0.00 N ATOM 947 CA SER A 976 -5.411 16.294 1.083 1.00 0.00 C ATOM 948 C SER A 976 -5.431 14.890 0.486 1.00 0.00 C ATOM 949 O SER A 976 -4.514 14.498 -0.236 1.00 0.00 O ATOM 950 CB SER A 976 -5.676 17.330 -0.011 1.00 0.00 C ATOM 951 OG SER A 976 -7.015 17.257 -0.468 1.00 0.00 O ATOM 0 H SER A 976 -3.345 16.657 1.097 1.00 0.00 H new ATOM 0 HA SER A 976 -6.197 16.361 1.835 1.00 0.00 H new ATOM 0 HB2 SER A 976 -5.474 18.330 0.374 1.00 0.00 H new ATOM 0 HB3 SER A 976 -4.994 17.165 -0.845 1.00 0.00 H new ATOM 0 HG SER A 976 -7.160 17.930 -1.165 1.00 0.00 H new ATOM 957 N ARG A 977 -6.482 14.138 0.794 1.00 0.00 N ATOM 958 CA ARG A 977 -6.622 12.778 0.289 1.00 0.00 C ATOM 959 C ARG A 977 -6.687 12.767 -1.235 1.00 0.00 C ATOM 960 O ARG A 977 -6.080 11.916 -1.886 1.00 0.00 O ATOM 961 CB ARG A 977 -7.878 12.123 0.868 1.00 0.00 C ATOM 962 CG ARG A 977 -7.872 10.606 0.775 1.00 0.00 C ATOM 963 CD ARG A 977 -8.464 10.126 -0.541 1.00 0.00 C ATOM 964 NE ARG A 977 -8.936 8.747 -0.458 1.00 0.00 N ATOM 965 CZ ARG A 977 -9.783 8.206 -1.327 1.00 0.00 C ATOM 966 NH1 ARG A 977 -10.248 8.925 -2.339 1.00 0.00 N ATOM 967 NH2 ARG A 977 -10.166 6.944 -1.185 1.00 0.00 N ATOM 0 H ARG A 977 -7.249 14.448 1.391 1.00 0.00 H new ATOM 0 HA ARG A 977 -5.746 12.210 0.602 1.00 0.00 H new ATOM 0 HB2 ARG A 977 -7.980 12.414 1.913 1.00 0.00 H new ATOM 0 HB3 ARG A 977 -8.753 12.507 0.343 1.00 0.00 H new ATOM 0 HG2 ARG A 977 -6.850 10.239 0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 977 -8.441 10.187 1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 977 -9.292 10.776 -0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 977 -7.713 10.205 -1.327 1.00 0.00 H new ATOM 0 HE ARG A 977 -8.597 8.167 0.309 1.00 0.00 H new ATOM 0 HH11 ARG A 977 -9.956 9.896 -2.452 1.00 0.00 H new ATOM 0 HH12 ARG A 977 -10.898 8.508 -3.005 1.00 0.00 H new ATOM 0 HH21 ARG A 977 -9.810 6.387 -0.408 1.00 0.00 H new ATOM 0 HH22 ARG A 977 -10.816 6.530 -1.853 1.00 0.00 H new ATOM 981 N ASP A 978 -7.427 13.716 -1.797 1.00 0.00 N ATOM 982 CA ASP A 978 -7.571 13.817 -3.245 1.00 0.00 C ATOM 983 C ASP A 978 -6.213 14.000 -3.915 1.00 0.00 C ATOM 984 O ASP A 978 -5.956 13.441 -4.981 1.00 0.00 O ATOM 985 CB ASP A 978 -8.493 14.982 -3.608 1.00 0.00 C ATOM 986 CG ASP A 978 -8.385 15.373 -5.068 1.00 0.00 C ATOM 987 OD1 ASP A 978 -8.475 14.474 -5.931 1.00 0.00 O ATOM 988 OD2 ASP A 978 -8.211 16.577 -5.349 1.00 0.00 O ATOM 0 H ASP A 978 -7.937 14.427 -1.272 1.00 0.00 H new ATOM 0 HA ASP A 978 -8.012 12.888 -3.606 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -9.524 14.709 -3.383 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -8.248 15.843 -2.985 1.00 0.00 H new ATOM 993 N GLU A 979 -5.348 14.787 -3.283 1.00 0.00 N ATOM 994 CA GLU A 979 -4.017 15.045 -3.819 1.00 0.00 C ATOM 995 C GLU A 979 -3.172 13.774 -3.812 1.00 0.00 C ATOM 996 O GLU A 979 -2.481 13.469 -4.784 1.00 0.00 O ATOM 997 CB GLU A 979 -3.319 16.139 -3.009 1.00 0.00 C ATOM 998 CG GLU A 979 -3.745 17.546 -3.393 1.00 0.00 C ATOM 999 CD GLU A 979 -3.634 18.525 -2.240 1.00 0.00 C ATOM 1000 OE1 GLU A 979 -2.762 18.320 -1.370 1.00 0.00 O ATOM 1001 OE2 GLU A 979 -4.419 19.495 -2.209 1.00 0.00 O ATOM 0 H GLU A 979 -5.545 15.257 -2.399 1.00 0.00 H new ATOM 0 HA GLU A 979 -4.128 15.382 -4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 979 -3.525 15.982 -1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 979 -2.241 16.046 -3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 979 -3.128 17.895 -4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 979 -4.775 17.525 -3.749 1.00 0.00 H new ATOM 1008 N ALA A 980 -3.232 13.037 -2.708 1.00 0.00 N ATOM 1009 CA ALA A 980 -2.474 11.799 -2.573 1.00 0.00 C ATOM 1010 C ALA A 980 -2.840 10.809 -3.674 1.00 0.00 C ATOM 1011 O ALA A 980 -1.966 10.247 -4.334 1.00 0.00 O ATOM 1012 CB ALA A 980 -2.712 11.180 -1.204 1.00 0.00 C ATOM 0 H ALA A 980 -3.798 13.276 -1.894 1.00 0.00 H new ATOM 0 HA ALA A 980 -1.415 12.038 -2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 980 -2.140 10.256 -1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 980 -2.394 11.878 -0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 980 -3.773 10.962 -1.083 1.00 0.00 H new ATOM 1018 N THR A 981 -4.139 10.599 -3.867 1.00 0.00 N ATOM 1019 CA THR A 981 -4.620 9.675 -4.886 1.00 0.00 C ATOM 1020 C THR A 981 -4.229 10.145 -6.283 1.00 0.00 C ATOM 1021 O THR A 981 -3.788 9.351 -7.113 1.00 0.00 O ATOM 1022 CB THR A 981 -6.151 9.515 -4.821 1.00 0.00 C ATOM 1023 OG1 THR A 981 -6.567 9.328 -3.464 1.00 0.00 O ATOM 1024 CG2 THR A 981 -6.608 8.335 -5.665 1.00 0.00 C ATOM 0 H THR A 981 -4.876 11.057 -3.331 1.00 0.00 H new ATOM 0 HA THR A 981 -4.152 8.711 -4.685 1.00 0.00 H new ATOM 0 HB THR A 981 -6.606 10.422 -5.218 1.00 0.00 H new ATOM 0 HG1 THR A 981 -6.516 10.182 -2.986 1.00 0.00 H new ATOM 0 HG21 THR A 981 -7.692 8.242 -5.603 1.00 0.00 H new ATOM 0 HG22 THR A 981 -6.316 8.495 -6.703 1.00 0.00 H new ATOM 0 HG23 THR A 981 -6.144 7.421 -5.294 1.00 0.00 H new ATOM 1032 N ALA A 982 -4.391 11.439 -6.534 1.00 0.00 N ATOM 1033 CA ALA A 982 -4.052 12.014 -7.830 1.00 0.00 C ATOM 1034 C ALA A 982 -2.557 11.897 -8.108 1.00 0.00 C ATOM 1035 O ALA A 982 -2.148 11.550 -9.215 1.00 0.00 O ATOM 1036 CB ALA A 982 -4.490 13.470 -7.892 1.00 0.00 C ATOM 0 H ALA A 982 -4.755 12.110 -5.857 1.00 0.00 H new ATOM 0 HA ALA A 982 -4.583 11.453 -8.599 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -4.231 13.887 -8.865 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -5.568 13.532 -7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -3.985 14.036 -7.109 1.00 0.00 H new ATOM 1042 N ALA A 983 -1.747 12.189 -7.095 1.00 0.00 N ATOM 1043 CA ALA A 983 -0.298 12.115 -7.231 1.00 0.00 C ATOM 1044 C ALA A 983 0.161 10.677 -7.442 1.00 0.00 C ATOM 1045 O ALA A 983 1.067 10.413 -8.234 1.00 0.00 O ATOM 1046 CB ALA A 983 0.378 12.712 -6.006 1.00 0.00 C ATOM 0 H ALA A 983 -2.070 12.479 -6.172 1.00 0.00 H new ATOM 0 HA ALA A 983 -0.011 12.693 -8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 983 1.460 12.650 -6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 983 0.083 13.756 -5.901 1.00 0.00 H new ATOM 0 HB3 ALA A 983 0.075 12.158 -5.117 1.00 0.00 H new ATOM 1052 N VAL A 984 -0.469 9.749 -6.729 1.00 0.00 N ATOM 1053 CA VAL A 984 -0.126 8.336 -6.839 1.00 0.00 C ATOM 1054 C VAL A 984 -0.496 7.786 -8.212 1.00 0.00 C ATOM 1055 O VAL A 984 0.314 7.128 -8.867 1.00 0.00 O ATOM 1056 CB VAL A 984 -0.833 7.500 -5.756 1.00 0.00 C ATOM 1057 CG1 VAL A 984 -0.598 6.015 -5.988 1.00 0.00 C ATOM 1058 CG2 VAL A 984 -0.359 7.914 -4.371 1.00 0.00 C ATOM 0 H VAL A 984 -1.220 9.950 -6.069 1.00 0.00 H new ATOM 0 HA VAL A 984 0.952 8.261 -6.699 1.00 0.00 H new ATOM 0 HB VAL A 984 -1.905 7.687 -5.819 1.00 0.00 H new ATOM 0 HG11 VAL A 984 -1.105 5.441 -5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 984 -0.991 5.733 -6.965 1.00 0.00 H new ATOM 0 HG13 VAL A 984 0.471 5.806 -5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 984 -0.869 7.313 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 984 0.717 7.758 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 984 -0.585 8.968 -4.209 1.00 0.00 H new ATOM 1068 N ILE A 985 -1.723 8.059 -8.642 1.00 0.00 N ATOM 1069 CA ILE A 985 -2.199 7.593 -9.938 1.00 0.00 C ATOM 1070 C ILE A 985 -1.401 8.220 -11.076 1.00 0.00 C ATOM 1071 O ILE A 985 -0.987 7.533 -12.010 1.00 0.00 O ATOM 1072 CB ILE A 985 -3.693 7.912 -10.137 1.00 0.00 C ATOM 1073 CG1 ILE A 985 -4.535 7.199 -9.077 1.00 0.00 C ATOM 1074 CG2 ILE A 985 -4.139 7.509 -11.535 1.00 0.00 C ATOM 1075 CD1 ILE A 985 -5.953 7.716 -8.984 1.00 0.00 C ATOM 0 H ILE A 985 -2.406 8.601 -8.112 1.00 0.00 H new ATOM 0 HA ILE A 985 -2.061 6.512 -9.954 1.00 0.00 H new ATOM 0 HB ILE A 985 -3.838 8.987 -10.026 1.00 0.00 H new ATOM 0 HG12 ILE A 985 -4.560 6.133 -9.301 1.00 0.00 H new ATOM 0 HG13 ILE A 985 -4.052 7.310 -8.106 1.00 0.00 H new ATOM 0 HG21 ILE A 985 -5.197 7.741 -11.660 1.00 0.00 H new ATOM 0 HG22 ILE A 985 -3.557 8.058 -12.275 1.00 0.00 H new ATOM 0 HG23 ILE A 985 -3.983 6.439 -11.672 1.00 0.00 H new ATOM 0 HD11 ILE A 985 -6.491 7.165 -8.213 1.00 0.00 H new ATOM 0 HD12 ILE A 985 -5.938 8.776 -8.729 1.00 0.00 H new ATOM 0 HD13 ILE A 985 -6.453 7.580 -9.943 1.00 0.00 H new ATOM 1087 N ASP A 986 -1.186 9.528 -10.989 1.00 0.00 N ATOM 1088 CA ASP A 986 -0.434 10.249 -12.010 1.00 0.00 C ATOM 1089 C ASP A 986 1.048 9.894 -11.945 1.00 0.00 C ATOM 1090 O ASP A 986 1.779 10.052 -12.924 1.00 0.00 O ATOM 1091 CB ASP A 986 -0.618 11.758 -11.839 1.00 0.00 C ATOM 1092 CG ASP A 986 -1.880 12.267 -12.506 1.00 0.00 C ATOM 1093 OD1 ASP A 986 -2.896 11.541 -12.485 1.00 0.00 O ATOM 1094 OD2 ASP A 986 -1.852 13.391 -13.050 1.00 0.00 O ATOM 0 H ASP A 986 -1.522 10.111 -10.222 1.00 0.00 H new ATOM 0 HA ASP A 986 -0.818 9.953 -12.986 1.00 0.00 H new ATOM 0 HB2 ASP A 986 -0.650 11.999 -10.776 1.00 0.00 H new ATOM 0 HB3 ASP A 986 0.245 12.276 -12.258 1.00 0.00 H new ATOM 1099 N LEU A 987 1.486 9.413 -10.786 1.00 0.00 N ATOM 1100 CA LEU A 987 2.882 9.036 -10.593 1.00 0.00 C ATOM 1101 C LEU A 987 3.007 7.545 -10.297 1.00 0.00 C ATOM 1102 O LEU A 987 4.023 7.089 -9.775 1.00 0.00 O ATOM 1103 CB LEU A 987 3.496 9.847 -9.451 1.00 0.00 C ATOM 1104 CG LEU A 987 3.258 11.357 -9.496 1.00 0.00 C ATOM 1105 CD1 LEU A 987 3.390 11.960 -8.106 1.00 0.00 C ATOM 1106 CD2 LEU A 987 4.229 12.021 -10.462 1.00 0.00 C ATOM 0 H LEU A 987 0.895 9.275 -9.966 1.00 0.00 H new ATOM 0 HA LEU A 987 3.422 9.251 -11.515 1.00 0.00 H new ATOM 0 HB2 LEU A 987 3.103 9.465 -8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 987 4.571 9.669 -9.443 1.00 0.00 H new ATOM 0 HG LEU A 987 2.243 11.535 -9.852 1.00 0.00 H new ATOM 0 HD11 LEU A 987 3.217 13.035 -8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 987 2.655 11.506 -7.441 1.00 0.00 H new ATOM 0 HD13 LEU A 987 4.392 11.772 -7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 987 4.045 13.095 -10.481 1.00 0.00 H new ATOM 0 HD22 LEU A 987 5.252 11.834 -10.136 1.00 0.00 H new ATOM 0 HD23 LEU A 987 4.086 11.610 -11.461 1.00 0.00 H new ATOM 1118 N ASN A 988 1.967 6.790 -10.638 1.00 0.00 N ATOM 1119 CA ASN A 988 1.962 5.349 -10.411 1.00 0.00 C ATOM 1120 C ASN A 988 2.739 4.623 -11.504 1.00 0.00 C ATOM 1121 O ASN A 988 2.577 4.910 -12.690 1.00 0.00 O ATOM 1122 CB ASN A 988 0.525 4.826 -10.358 1.00 0.00 C ATOM 1123 CG ASN A 988 0.439 3.342 -10.655 1.00 0.00 C ATOM 1124 OD1 ASN A 988 0.110 2.939 -11.771 1.00 0.00 O ATOM 1125 ND2 ASN A 988 0.734 2.520 -9.655 1.00 0.00 N ATOM 0 H ASN A 988 1.118 7.152 -11.072 1.00 0.00 H new ATOM 0 HA ASN A 988 2.448 5.155 -9.455 1.00 0.00 H new ATOM 0 HB2 ASN A 988 0.106 5.021 -9.371 1.00 0.00 H new ATOM 0 HB3 ASN A 988 -0.085 5.374 -11.077 1.00 0.00 H new ATOM 0 HD21 ASN A 988 0.693 1.511 -9.795 1.00 0.00 H new ATOM 0 HD22 ASN A 988 1.002 2.898 -8.746 1.00 0.00 H new ATOM 1132 N ASP A 989 3.583 3.681 -11.096 1.00 0.00 N ATOM 1133 CA ASP A 989 4.385 2.912 -12.041 1.00 0.00 C ATOM 1134 C ASP A 989 5.268 3.831 -12.878 1.00 0.00 C ATOM 1135 O ASP A 989 5.426 3.629 -14.082 1.00 0.00 O ATOM 1136 CB ASP A 989 3.480 2.083 -12.953 1.00 0.00 C ATOM 1137 CG ASP A 989 4.266 1.162 -13.866 1.00 0.00 C ATOM 1138 OD1 ASP A 989 4.860 0.188 -13.358 1.00 0.00 O ATOM 1139 OD2 ASP A 989 4.287 1.415 -15.088 1.00 0.00 O ATOM 0 H ASP A 989 3.729 3.432 -10.118 1.00 0.00 H new ATOM 0 HA ASP A 989 5.028 2.240 -11.472 1.00 0.00 H new ATOM 0 HB2 ASP A 989 2.799 1.490 -12.343 1.00 0.00 H new ATOM 0 HB3 ASP A 989 2.867 2.752 -13.557 1.00 0.00 H new ATOM 1144 N ARG A 990 5.840 4.843 -12.233 1.00 0.00 N ATOM 1145 CA ARG A 990 6.706 5.795 -12.920 1.00 0.00 C ATOM 1146 C ARG A 990 8.135 5.267 -13.004 1.00 0.00 C ATOM 1147 O ARG A 990 8.718 4.823 -12.015 1.00 0.00 O ATOM 1148 CB ARG A 990 6.690 7.143 -12.197 1.00 0.00 C ATOM 1149 CG ARG A 990 5.347 7.851 -12.256 1.00 0.00 C ATOM 1150 CD ARG A 990 5.173 8.608 -13.563 1.00 0.00 C ATOM 1151 NE ARG A 990 4.747 7.731 -14.651 1.00 0.00 N ATOM 1152 CZ ARG A 990 4.453 8.164 -15.872 1.00 0.00 C ATOM 1153 NH1 ARG A 990 4.539 9.455 -16.160 1.00 0.00 N ATOM 1154 NH2 ARG A 990 4.072 7.304 -16.808 1.00 0.00 N ATOM 0 H ARG A 990 5.720 5.025 -11.237 1.00 0.00 H new ATOM 0 HA ARG A 990 6.327 5.929 -13.933 1.00 0.00 H new ATOM 0 HB2 ARG A 990 6.964 6.989 -11.153 1.00 0.00 H new ATOM 0 HB3 ARG A 990 7.451 7.789 -12.634 1.00 0.00 H new ATOM 0 HG2 ARG A 990 4.545 7.121 -12.147 1.00 0.00 H new ATOM 0 HG3 ARG A 990 5.263 8.544 -11.419 1.00 0.00 H new ATOM 0 HD2 ARG A 990 4.438 9.401 -13.427 1.00 0.00 H new ATOM 0 HD3 ARG A 990 6.114 9.088 -13.832 1.00 0.00 H new ATOM 0 HE ARG A 990 4.671 6.731 -14.463 1.00 0.00 H new ATOM 0 HH11 ARG A 990 4.832 10.119 -15.443 1.00 0.00 H new ATOM 0 HH12 ARG A 990 4.313 9.784 -17.098 1.00 0.00 H new ATOM 0 HH21 ARG A 990 4.005 6.310 -16.590 1.00 0.00 H new ATOM 0 HH22 ARG A 990 3.846 7.637 -17.745 1.00 0.00 H new ATOM 1168 N PRO A 991 8.713 5.315 -14.213 1.00 0.00 N ATOM 1169 CA PRO A 991 10.081 4.846 -14.456 1.00 0.00 C ATOM 1170 C PRO A 991 11.126 5.750 -13.812 1.00 0.00 C ATOM 1171 O PRO A 991 11.696 6.622 -14.468 1.00 0.00 O ATOM 1172 CB PRO A 991 10.205 4.889 -15.981 1.00 0.00 C ATOM 1173 CG PRO A 991 9.217 5.917 -16.413 1.00 0.00 C ATOM 1174 CD PRO A 991 8.077 5.832 -15.437 1.00 0.00 C ATOM 0 HA PRO A 991 10.256 3.859 -14.028 1.00 0.00 H new ATOM 0 HB2 PRO A 991 11.216 5.158 -16.289 1.00 0.00 H new ATOM 0 HB3 PRO A 991 9.985 3.918 -16.424 1.00 0.00 H new ATOM 0 HG2 PRO A 991 9.662 6.912 -16.408 1.00 0.00 H new ATOM 0 HG3 PRO A 991 8.875 5.726 -17.430 1.00 0.00 H new ATOM 0 HD2 PRO A 991 7.617 6.806 -15.270 1.00 0.00 H new ATOM 0 HD3 PRO A 991 7.291 5.166 -15.794 1.00 0.00 H new ATOM 1182 N ILE A 992 11.374 5.535 -12.524 1.00 0.00 N ATOM 1183 CA ILE A 992 12.353 6.330 -11.792 1.00 0.00 C ATOM 1184 C ILE A 992 13.769 5.816 -12.033 1.00 0.00 C ATOM 1185 O ILE A 992 14.016 4.611 -12.006 1.00 0.00 O ATOM 1186 CB ILE A 992 12.066 6.322 -10.279 1.00 0.00 C ATOM 1187 CG1 ILE A 992 10.891 7.246 -9.956 1.00 0.00 C ATOM 1188 CG2 ILE A 992 13.306 6.741 -9.503 1.00 0.00 C ATOM 1189 CD1 ILE A 992 10.658 7.432 -8.473 1.00 0.00 C ATOM 0 H ILE A 992 10.911 4.818 -11.966 1.00 0.00 H new ATOM 0 HA ILE A 992 12.272 7.352 -12.163 1.00 0.00 H new ATOM 0 HB ILE A 992 11.799 5.308 -9.980 1.00 0.00 H new ATOM 0 HG12 ILE A 992 11.069 8.220 -10.412 1.00 0.00 H new ATOM 0 HG13 ILE A 992 9.986 6.842 -10.410 1.00 0.00 H new ATOM 0 HG21 ILE A 992 13.088 6.731 -8.435 1.00 0.00 H new ATOM 0 HG22 ILE A 992 14.119 6.046 -9.714 1.00 0.00 H new ATOM 0 HG23 ILE A 992 13.601 7.747 -9.803 1.00 0.00 H new ATOM 0 HD11 ILE A 992 9.810 8.099 -8.319 1.00 0.00 H new ATOM 0 HD12 ILE A 992 10.448 6.466 -8.014 1.00 0.00 H new ATOM 0 HD13 ILE A 992 11.548 7.865 -8.016 1.00 0.00 H new ATOM 1201 N GLY A 993 14.696 6.740 -12.267 1.00 0.00 N ATOM 1202 CA GLY A 993 16.076 6.361 -12.507 1.00 0.00 C ATOM 1203 C GLY A 993 16.210 5.323 -13.603 1.00 0.00 C ATOM 1204 O GLY A 993 16.324 5.664 -14.780 1.00 0.00 O ATOM 0 H GLY A 993 14.516 7.744 -12.295 1.00 0.00 H new ATOM 0 HA2 GLY A 993 16.651 7.247 -12.777 1.00 0.00 H new ATOM 0 HA3 GLY A 993 16.508 5.970 -11.586 1.00 0.00 H new ATOM 1208 N SER A 994 16.199 4.051 -13.216 1.00 0.00 N ATOM 1209 CA SER A 994 16.326 2.960 -14.175 1.00 0.00 C ATOM 1210 C SER A 994 15.287 1.876 -13.904 1.00 0.00 C ATOM 1211 O SER A 994 15.226 0.869 -14.610 1.00 0.00 O ATOM 1212 CB SER A 994 17.733 2.361 -14.114 1.00 0.00 C ATOM 1213 OG SER A 994 18.620 3.055 -14.974 1.00 0.00 O ATOM 0 H SER A 994 16.104 3.751 -12.246 1.00 0.00 H new ATOM 0 HA SER A 994 16.153 3.363 -15.173 1.00 0.00 H new ATOM 0 HB2 SER A 994 18.106 2.404 -13.091 1.00 0.00 H new ATOM 0 HB3 SER A 994 17.696 1.309 -14.396 1.00 0.00 H new ATOM 0 HG SER A 994 19.513 2.654 -14.916 1.00 0.00 H new ATOM 1219 N ARG A 995 14.473 2.089 -12.876 1.00 0.00 N ATOM 1220 CA ARG A 995 13.437 1.130 -12.510 1.00 0.00 C ATOM 1221 C ARG A 995 12.110 1.837 -12.250 1.00 0.00 C ATOM 1222 O ARG A 995 12.072 3.046 -12.022 1.00 0.00 O ATOM 1223 CB ARG A 995 13.859 0.340 -11.270 1.00 0.00 C ATOM 1224 CG ARG A 995 15.273 -0.211 -11.350 1.00 0.00 C ATOM 1225 CD ARG A 995 15.587 -1.114 -10.168 1.00 0.00 C ATOM 1226 NE ARG A 995 15.116 -2.480 -10.383 1.00 0.00 N ATOM 1227 CZ ARG A 995 15.748 -3.363 -11.147 1.00 0.00 C ATOM 1228 NH1 ARG A 995 16.871 -3.026 -11.767 1.00 0.00 N ATOM 1229 NH2 ARG A 995 15.257 -4.587 -11.293 1.00 0.00 N ATOM 0 H ARG A 995 14.510 2.917 -12.281 1.00 0.00 H new ATOM 0 HA ARG A 995 13.304 0.440 -13.343 1.00 0.00 H new ATOM 0 HB2 ARG A 995 13.778 0.984 -10.395 1.00 0.00 H new ATOM 0 HB3 ARG A 995 13.164 -0.487 -11.123 1.00 0.00 H new ATOM 0 HG2 ARG A 995 15.395 -0.769 -12.278 1.00 0.00 H new ATOM 0 HG3 ARG A 995 15.985 0.614 -11.378 1.00 0.00 H new ATOM 0 HD2 ARG A 995 16.663 -1.124 -9.996 1.00 0.00 H new ATOM 0 HD3 ARG A 995 15.124 -0.708 -9.269 1.00 0.00 H new ATOM 0 HE ARG A 995 14.255 -2.771 -9.921 1.00 0.00 H new ATOM 0 HH11 ARG A 995 17.252 -2.086 -11.658 1.00 0.00 H new ATOM 0 HH12 ARG A 995 17.354 -3.707 -12.353 1.00 0.00 H new ATOM 0 HH21 ARG A 995 14.393 -4.850 -10.818 1.00 0.00 H new ATOM 0 HH22 ARG A 995 15.743 -5.265 -11.880 1.00 0.00 H new ATOM 1243 N LYS A 996 11.022 1.074 -12.285 1.00 0.00 N ATOM 1244 CA LYS A 996 9.693 1.625 -12.052 1.00 0.00 C ATOM 1245 C LYS A 996 9.333 1.571 -10.571 1.00 0.00 C ATOM 1246 O LYS A 996 9.645 0.601 -9.881 1.00 0.00 O ATOM 1247 CB LYS A 996 8.650 0.858 -12.869 1.00 0.00 C ATOM 1248 CG LYS A 996 8.888 0.919 -14.368 1.00 0.00 C ATOM 1249 CD LYS A 996 7.986 -0.050 -15.114 1.00 0.00 C ATOM 1250 CE LYS A 996 7.911 0.287 -16.596 1.00 0.00 C ATOM 1251 NZ LYS A 996 7.543 -0.900 -17.417 1.00 0.00 N ATOM 0 H LYS A 996 11.035 0.072 -12.473 1.00 0.00 H new ATOM 0 HA LYS A 996 9.699 2.668 -12.369 1.00 0.00 H new ATOM 0 HB2 LYS A 996 8.647 -0.185 -12.552 1.00 0.00 H new ATOM 0 HB3 LYS A 996 7.661 1.260 -12.650 1.00 0.00 H new ATOM 0 HG2 LYS A 996 8.709 1.933 -14.725 1.00 0.00 H new ATOM 0 HG3 LYS A 996 9.931 0.685 -14.582 1.00 0.00 H new ATOM 0 HD2 LYS A 996 8.360 -1.066 -14.989 1.00 0.00 H new ATOM 0 HD3 LYS A 996 6.985 -0.023 -14.682 1.00 0.00 H new ATOM 0 HE2 LYS A 996 7.177 1.078 -16.752 1.00 0.00 H new ATOM 0 HE3 LYS A 996 8.874 0.675 -16.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 996 7.502 -0.629 -18.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 996 8.256 -1.646 -17.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 996 6.613 -1.255 -17.116 1.00 0.00 H new ATOM 1265 N VAL A 997 8.675 2.620 -10.088 1.00 0.00 N ATOM 1266 CA VAL A 997 8.270 2.691 -8.689 1.00 0.00 C ATOM 1267 C VAL A 997 6.783 2.395 -8.531 1.00 0.00 C ATOM 1268 O VAL A 997 5.988 2.652 -9.435 1.00 0.00 O ATOM 1269 CB VAL A 997 8.574 4.076 -8.086 1.00 0.00 C ATOM 1270 CG1 VAL A 997 10.025 4.157 -7.639 1.00 0.00 C ATOM 1271 CG2 VAL A 997 8.254 5.174 -9.089 1.00 0.00 C ATOM 0 H VAL A 997 8.411 3.433 -10.645 1.00 0.00 H new ATOM 0 HA VAL A 997 8.846 1.936 -8.154 1.00 0.00 H new ATOM 0 HB VAL A 997 7.941 4.219 -7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 997 10.221 5.142 -7.216 1.00 0.00 H new ATOM 0 HG12 VAL A 997 10.217 3.394 -6.885 1.00 0.00 H new ATOM 0 HG13 VAL A 997 10.679 3.993 -8.495 1.00 0.00 H new ATOM 0 HG21 VAL A 997 8.474 6.146 -8.647 1.00 0.00 H new ATOM 0 HG22 VAL A 997 8.860 5.037 -9.985 1.00 0.00 H new ATOM 0 HG23 VAL A 997 7.198 5.127 -9.355 1.00 0.00 H new ATOM 1281 N LYS A 998 6.413 1.853 -7.375 1.00 0.00 N ATOM 1282 CA LYS A 998 5.021 1.522 -7.096 1.00 0.00 C ATOM 1283 C LYS A 998 4.485 2.357 -5.937 1.00 0.00 C ATOM 1284 O LYS A 998 5.062 2.369 -4.849 1.00 0.00 O ATOM 1285 CB LYS A 998 4.884 0.033 -6.772 1.00 0.00 C ATOM 1286 CG LYS A 998 3.538 -0.553 -7.161 1.00 0.00 C ATOM 1287 CD LYS A 998 2.507 -0.361 -6.061 1.00 0.00 C ATOM 1288 CE LYS A 998 1.334 -1.316 -6.225 1.00 0.00 C ATOM 1289 NZ LYS A 998 1.653 -2.679 -5.718 1.00 0.00 N ATOM 0 H LYS A 998 7.059 1.634 -6.616 1.00 0.00 H new ATOM 0 HA LYS A 998 4.434 1.749 -7.986 1.00 0.00 H new ATOM 0 HB2 LYS A 998 5.672 -0.516 -7.287 1.00 0.00 H new ATOM 0 HB3 LYS A 998 5.039 -0.113 -5.703 1.00 0.00 H new ATOM 0 HG2 LYS A 998 3.186 -0.080 -8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 998 3.651 -1.616 -7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 998 2.975 -0.521 -5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 998 2.145 0.667 -6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 998 0.469 -0.923 -5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 998 1.059 -1.376 -7.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 998 0.828 -3.299 -5.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 998 2.463 -3.065 -6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 998 1.891 -2.626 -4.707 1.00 0.00 H new ATOM 1303 N LEU A 999 3.380 3.053 -6.177 1.00 0.00 N ATOM 1304 CA LEU A 999 2.765 3.890 -5.153 1.00 0.00 C ATOM 1305 C LEU A 999 1.429 3.308 -4.703 1.00 0.00 C ATOM 1306 O LEU A 999 0.567 2.998 -5.526 1.00 0.00 O ATOM 1307 CB LEU A 999 2.564 5.312 -5.681 1.00 0.00 C ATOM 1308 CG LEU A 999 3.836 6.088 -6.021 1.00 0.00 C ATOM 1309 CD1 LEU A 999 3.513 7.282 -6.906 1.00 0.00 C ATOM 1310 CD2 LEU A 999 4.541 6.540 -4.750 1.00 0.00 C ATOM 0 H LEU A 999 2.891 3.055 -7.072 1.00 0.00 H new ATOM 0 HA LEU A 999 3.434 3.920 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 999 1.943 5.261 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 999 2.005 5.879 -4.937 1.00 0.00 H new ATOM 0 HG LEU A 999 4.506 5.426 -6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 999 4.431 7.822 -7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 999 3.053 6.935 -7.831 1.00 0.00 H new ATOM 0 HD13 LEU A 999 2.823 7.946 -6.384 1.00 0.00 H new ATOM 0 HD21 LEU A 999 5.445 7.091 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 999 3.876 7.185 -4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 999 4.808 5.668 -4.152 1.00 0.00 H new ATOM 1322 N VAL A1000 1.262 3.164 -3.393 1.00 0.00 N ATOM 1323 CA VAL A1000 0.029 2.623 -2.833 1.00 0.00 C ATOM 1324 C VAL A1000 -0.662 3.644 -1.936 1.00 0.00 C ATOM 1325 O VAL A1000 -0.007 4.401 -1.219 1.00 0.00 O ATOM 1326 CB VAL A1000 0.296 1.341 -2.022 1.00 0.00 C ATOM 1327 CG1 VAL A1000 -1.014 0.688 -1.608 1.00 0.00 C ATOM 1328 CG2 VAL A1000 1.154 0.373 -2.824 1.00 0.00 C ATOM 0 H VAL A1000 1.966 3.415 -2.698 1.00 0.00 H new ATOM 0 HA VAL A1000 -0.622 2.383 -3.674 1.00 0.00 H new ATOM 0 HB VAL A1000 0.841 1.611 -1.117 1.00 0.00 H new ATOM 0 HG11 VAL A1000 -0.805 -0.216 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL A1000 -1.588 1.382 -0.994 1.00 0.00 H new ATOM 0 HG13 VAL A1000 -1.589 0.430 -2.497 1.00 0.00 H new ATOM 0 HG21 VAL A1000 1.333 -0.527 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL A1000 0.638 0.107 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A1000 2.107 0.845 -3.065 1.00 0.00 H new ATOM 1338 N LEU A1001 -1.990 3.659 -1.982 1.00 0.00 N ATOM 1339 CA LEU A1001 -2.772 4.587 -1.172 1.00 0.00 C ATOM 1340 C LEU A1001 -2.908 4.080 0.260 1.00 0.00 C ATOM 1341 O LEU A1001 -3.228 2.914 0.488 1.00 0.00 O ATOM 1342 CB LEU A1001 -4.158 4.789 -1.788 1.00 0.00 C ATOM 1343 CG LEU A1001 -4.278 5.913 -2.817 1.00 0.00 C ATOM 1344 CD1 LEU A1001 -5.557 5.761 -3.626 1.00 0.00 C ATOM 1345 CD2 LEU A1001 -4.236 7.271 -2.132 1.00 0.00 C ATOM 0 H LEU A1001 -2.547 3.040 -2.571 1.00 0.00 H new ATOM 0 HA LEU A1001 -2.248 5.542 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A1001 -4.462 3.856 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A1001 -4.867 4.984 -0.983 1.00 0.00 H new ATOM 0 HG LEU A1001 -3.430 5.847 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A1001 -5.626 6.570 -4.353 1.00 0.00 H new ATOM 0 HD12 LEU A1001 -5.546 4.804 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A1001 -6.417 5.800 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A1001 -4.323 8.059 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A1001 -5.063 7.348 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A1001 -3.292 7.380 -1.598 1.00 0.00 H new ATOM 1357 N GLY A1002 -2.663 4.965 1.222 1.00 0.00 N ATOM 1358 CA GLY A1002 -2.766 4.589 2.619 1.00 0.00 C ATOM 1359 C GLY A1002 -3.987 3.737 2.903 1.00 0.00 C ATOM 1360 O GLY A1002 -3.876 2.646 3.461 1.00 0.00 O ATOM 0 H GLY A1002 -2.395 5.935 1.058 1.00 0.00 H new ATOM 0 HA2 GLY A1002 -1.870 4.042 2.912 1.00 0.00 H new ATOM 0 HA3 GLY A1002 -2.805 5.489 3.232 1.00 0.00 H new