USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 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 -80:sc= -0.417 USER MOD Single : A 929 LYS NZ :NH3+ -145:sc= -1.37 (180deg=-3.02!) USER MOD Single : A 931 GLN : amide:sc= -0.487 X(o=-0.49,f=-0.056) USER MOD Single : A 932 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.22) USER MOD Single : A 933 MET CE :methyl -173:sc= -0.948 (180deg=-1.01) USER MOD Single : A 936 THR OG1 : rot 180:sc= 0 USER MOD Single : A 938 SER OG : rot 180:sc= 0 USER MOD Single : A 947 TYR OH : rot 180:sc= 0 USER MOD Single : A 949 TYR OH : rot 180:sc= 0 USER MOD Single : A 950 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 955 SER OG : rot -92:sc= 0.368 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 USER MOD Single : A 961 ASN : amide:sc= -1.2! C(o=-1.2!,f=-16!) USER MOD Single : A 963 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 965 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 967 THR OG1 : rot -69:sc= 1.14 USER MOD Single : A 971 MET CE :methyl 139:sc= -0.169 (180deg=-0.41) USER MOD Single : A 976 SER OG : rot 180:sc= 0 USER MOD Single : A 981 THR OG1 : rot 180:sc= 0 USER MOD Single : A 988 ASN : amide:sc= 0 X(o=0,f=-0.018) 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 -3.793 13.022 7.692 1.00 0.00 N ATOM 149 CA PRO A 925 -3.333 13.070 6.301 1.00 0.00 C ATOM 150 C PRO A 925 -3.209 11.681 5.683 1.00 0.00 C ATOM 151 O PRO A 925 -3.281 10.670 6.383 1.00 0.00 O ATOM 152 CB PRO A 925 -1.958 13.734 6.404 1.00 0.00 C ATOM 153 CG PRO A 925 -1.496 13.435 7.789 1.00 0.00 C ATOM 154 CD PRO A 925 -2.735 13.405 8.641 1.00 0.00 C ATOM 0 HA PRO A 925 -4.033 13.605 5.659 1.00 0.00 H new ATOM 0 HB2 PRO A 925 -1.268 13.333 5.661 1.00 0.00 H new ATOM 0 HB3 PRO A 925 -2.023 14.808 6.232 1.00 0.00 H new ATOM 0 HG2 PRO A 925 -0.972 12.480 7.828 1.00 0.00 H new ATOM 0 HG3 PRO A 925 -0.799 14.196 8.141 1.00 0.00 H new ATOM 0 HD2 PRO A 925 -2.646 12.685 9.455 1.00 0.00 H new ATOM 0 HD3 PRO A 925 -2.934 14.376 9.094 1.00 0.00 H new ATOM 162 N THR A 926 -3.022 11.638 4.368 1.00 0.00 N ATOM 163 CA THR A 926 -2.889 10.373 3.656 1.00 0.00 C ATOM 164 C THR A 926 -1.426 9.961 3.537 1.00 0.00 C ATOM 165 O THR A 926 -0.578 10.757 3.134 1.00 0.00 O ATOM 166 CB THR A 926 -3.503 10.454 2.246 1.00 0.00 C ATOM 167 OG1 THR A 926 -4.843 10.955 2.324 1.00 0.00 O ATOM 168 CG2 THR A 926 -3.505 9.088 1.577 1.00 0.00 C ATOM 0 H THR A 926 -2.959 12.465 3.774 1.00 0.00 H new ATOM 0 HA THR A 926 -3.429 9.625 4.237 1.00 0.00 H new ATOM 0 HB THR A 926 -2.896 11.133 1.647 1.00 0.00 H new ATOM 0 HG1 THR A 926 -5.448 10.231 2.587 1.00 0.00 H new ATOM 0 HG21 THR A 926 -3.943 9.171 0.582 1.00 0.00 H new ATOM 0 HG22 THR A 926 -2.482 8.722 1.493 1.00 0.00 H new ATOM 0 HG23 THR A 926 -4.092 8.391 2.175 1.00 0.00 H new ATOM 176 N ILE A 927 -1.137 8.713 3.890 1.00 0.00 N ATOM 177 CA ILE A 927 0.223 8.195 3.821 1.00 0.00 C ATOM 178 C ILE A 927 0.403 7.280 2.615 1.00 0.00 C ATOM 179 O ILE A 927 -0.342 6.315 2.439 1.00 0.00 O ATOM 180 CB ILE A 927 0.597 7.421 5.099 1.00 0.00 C ATOM 181 CG1 ILE A 927 0.378 8.296 6.334 1.00 0.00 C ATOM 182 CG2 ILE A 927 2.041 6.947 5.028 1.00 0.00 C ATOM 183 CD1 ILE A 927 1.563 9.174 6.671 1.00 0.00 C ATOM 0 H ILE A 927 -1.827 8.042 4.227 1.00 0.00 H new ATOM 0 HA ILE A 927 0.883 9.057 3.722 1.00 0.00 H new ATOM 0 HB ILE A 927 -0.048 6.546 5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 927 -0.496 8.926 6.172 1.00 0.00 H new ATOM 0 HG13 ILE A 927 0.156 7.656 7.188 1.00 0.00 H new ATOM 0 HG21 ILE A 927 2.290 6.402 5.938 1.00 0.00 H new ATOM 0 HG22 ILE A 927 2.167 6.291 4.166 1.00 0.00 H new ATOM 0 HG23 ILE A 927 2.702 7.808 4.928 1.00 0.00 H new ATOM 0 HD11 ILE A 927 1.336 9.766 7.557 1.00 0.00 H new ATOM 0 HD12 ILE A 927 2.435 8.549 6.865 1.00 0.00 H new ATOM 0 HD13 ILE A 927 1.773 9.840 5.834 1.00 0.00 H new ATOM 195 N ILE A 928 1.396 7.588 1.788 1.00 0.00 N ATOM 196 CA ILE A 928 1.675 6.791 0.600 1.00 0.00 C ATOM 197 C ILE A 928 2.921 5.934 0.792 1.00 0.00 C ATOM 198 O ILE A 928 3.860 6.330 1.484 1.00 0.00 O ATOM 199 CB ILE A 928 1.864 7.681 -0.643 1.00 0.00 C ATOM 200 CG1 ILE A 928 0.622 8.543 -0.875 1.00 0.00 C ATOM 201 CG2 ILE A 928 2.158 6.826 -1.867 1.00 0.00 C ATOM 202 CD1 ILE A 928 0.810 9.601 -1.939 1.00 0.00 C ATOM 0 H ILE A 928 2.021 8.384 1.919 1.00 0.00 H new ATOM 0 HA ILE A 928 0.812 6.143 0.445 1.00 0.00 H new ATOM 0 HB ILE A 928 2.714 8.341 -0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 928 -0.210 7.898 -1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 928 0.345 9.027 0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 928 2.289 7.469 -2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 928 3.069 6.252 -1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 928 1.326 6.143 -2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 928 -0.111 10.174 -2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 928 1.620 10.270 -1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 928 1.056 9.124 -2.887 1.00 0.00 H new ATOM 214 N LYS A 929 2.925 4.757 0.175 1.00 0.00 N ATOM 215 CA LYS A 929 4.057 3.844 0.275 1.00 0.00 C ATOM 216 C LYS A 929 4.757 3.695 -1.072 1.00 0.00 C ATOM 217 O LYS A 929 4.128 3.358 -2.075 1.00 0.00 O ATOM 218 CB LYS A 929 3.591 2.474 0.774 1.00 0.00 C ATOM 219 CG LYS A 929 3.588 2.346 2.287 1.00 0.00 C ATOM 220 CD LYS A 929 2.530 1.365 2.762 1.00 0.00 C ATOM 221 CE LYS A 929 2.732 -0.012 2.148 1.00 0.00 C ATOM 222 NZ LYS A 929 2.148 -0.101 0.781 1.00 0.00 N ATOM 0 H LYS A 929 2.156 4.413 -0.400 1.00 0.00 H new ATOM 0 HA LYS A 929 4.767 4.262 0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 929 2.585 2.283 0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 929 4.239 1.704 0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 929 4.570 2.016 2.627 1.00 0.00 H new ATOM 0 HG3 LYS A 929 3.407 3.323 2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 929 2.565 1.289 3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 929 1.541 1.740 2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 929 3.798 -0.237 2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 929 2.274 -0.766 2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 1.764 -1.056 0.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 1.385 0.599 0.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 2.887 0.092 0.075 1.00 0.00 H new ATOM 236 N VAL A 930 6.062 3.947 -1.087 1.00 0.00 N ATOM 237 CA VAL A 930 6.848 3.838 -2.310 1.00 0.00 C ATOM 238 C VAL A 930 7.735 2.599 -2.285 1.00 0.00 C ATOM 239 O VAL A 930 8.529 2.411 -1.364 1.00 0.00 O ATOM 240 CB VAL A 930 7.729 5.083 -2.523 1.00 0.00 C ATOM 241 CG1 VAL A 930 8.321 5.085 -3.925 1.00 0.00 C ATOM 242 CG2 VAL A 930 6.928 6.352 -2.272 1.00 0.00 C ATOM 0 H VAL A 930 6.597 4.228 -0.266 1.00 0.00 H new ATOM 0 HA VAL A 930 6.140 3.757 -3.135 1.00 0.00 H new ATOM 0 HB VAL A 930 8.551 5.052 -1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 930 8.940 5.972 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 930 8.931 4.192 -4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 930 7.516 5.092 -4.660 1.00 0.00 H new ATOM 0 HG21 VAL A 930 7.566 7.222 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 930 6.085 6.393 -2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 930 6.558 6.352 -1.247 1.00 0.00 H new ATOM 252 N GLN A 931 7.595 1.757 -3.304 1.00 0.00 N ATOM 253 CA GLN A 931 8.385 0.535 -3.398 1.00 0.00 C ATOM 254 C GLN A 931 9.027 0.407 -4.775 1.00 0.00 C ATOM 255 O GLN A 931 8.730 1.181 -5.684 1.00 0.00 O ATOM 256 CB GLN A 931 7.508 -0.687 -3.115 1.00 0.00 C ATOM 257 CG GLN A 931 8.162 -1.705 -2.195 1.00 0.00 C ATOM 258 CD GLN A 931 7.358 -1.952 -0.934 1.00 0.00 C ATOM 259 OE1 GLN A 931 6.991 -3.088 -0.631 1.00 0.00 O ATOM 260 NE2 GLN A 931 7.080 -0.888 -0.190 1.00 0.00 N ATOM 0 H GLN A 931 6.943 1.898 -4.075 1.00 0.00 H new ATOM 0 HA GLN A 931 9.177 0.586 -2.651 1.00 0.00 H new ATOM 0 HB2 GLN A 931 6.571 -0.356 -2.668 1.00 0.00 H new ATOM 0 HB3 GLN A 931 7.258 -1.171 -4.059 1.00 0.00 H new ATOM 0 HG2 GLN A 931 8.288 -2.646 -2.731 1.00 0.00 H new ATOM 0 HG3 GLN A 931 9.159 -1.357 -1.924 1.00 0.00 H new ATOM 0 HE21 GLN A 931 7.404 0.035 -0.479 1.00 0.00 H new ATOM 0 HE22 GLN A 931 6.542 -0.994 0.670 1.00 0.00 H new ATOM 269 N ASN A 932 9.911 -0.575 -4.921 1.00 0.00 N ATOM 270 CA ASN A 932 10.597 -0.804 -6.188 1.00 0.00 C ATOM 271 C ASN A 932 11.448 0.403 -6.571 1.00 0.00 C ATOM 272 O ASN A 932 11.378 0.892 -7.698 1.00 0.00 O ATOM 273 CB ASN A 932 9.583 -1.099 -7.295 1.00 0.00 C ATOM 274 CG ASN A 932 10.163 -1.970 -8.393 1.00 0.00 C ATOM 275 OD1 ASN A 932 9.585 -2.993 -8.759 1.00 0.00 O ATOM 276 ND2 ASN A 932 11.311 -1.566 -8.924 1.00 0.00 N ATOM 0 H ASN A 932 10.169 -1.225 -4.178 1.00 0.00 H new ATOM 0 HA ASN A 932 11.253 -1.666 -6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 932 8.712 -1.594 -6.864 1.00 0.00 H new ATOM 0 HB3 ASN A 932 9.235 -0.160 -7.725 1.00 0.00 H new ATOM 0 HD21 ASN A 932 11.749 -2.111 -9.667 1.00 0.00 H new ATOM 0 HD22 ASN A 932 11.755 -0.711 -8.589 1.00 0.00 H new ATOM 283 N MET A 933 12.253 0.877 -5.625 1.00 0.00 N ATOM 284 CA MET A 933 13.119 2.025 -5.865 1.00 0.00 C ATOM 285 C MET A 933 14.588 1.626 -5.773 1.00 0.00 C ATOM 286 O MET A 933 15.036 1.036 -4.789 1.00 0.00 O ATOM 287 CB MET A 933 12.817 3.138 -4.859 1.00 0.00 C ATOM 288 CG MET A 933 11.758 4.118 -5.337 1.00 0.00 C ATOM 289 SD MET A 933 11.665 5.596 -4.308 1.00 0.00 S ATOM 290 CE MET A 933 11.648 4.868 -2.671 1.00 0.00 C ATOM 0 H MET A 933 12.323 0.484 -4.686 1.00 0.00 H new ATOM 0 HA MET A 933 12.923 2.392 -6.872 1.00 0.00 H new ATOM 0 HB2 MET A 933 12.489 2.690 -3.921 1.00 0.00 H new ATOM 0 HB3 MET A 933 13.736 3.684 -4.647 1.00 0.00 H new ATOM 0 HG2 MET A 933 11.975 4.409 -6.365 1.00 0.00 H new ATOM 0 HG3 MET A 933 10.787 3.623 -5.344 1.00 0.00 H new ATOM 0 HE1 MET A 933 11.468 5.646 -1.929 1.00 0.00 H new ATOM 0 HE2 MET A 933 10.857 4.121 -2.613 1.00 0.00 H new ATOM 0 HE3 MET A 933 12.609 4.394 -2.474 1.00 0.00 H new ATOM 300 N PRO A 934 15.358 1.954 -6.821 1.00 0.00 N ATOM 301 CA PRO A 934 16.789 1.639 -6.882 1.00 0.00 C ATOM 302 C PRO A 934 17.607 2.468 -5.897 1.00 0.00 C ATOM 303 O PRO A 934 17.119 3.454 -5.345 1.00 0.00 O ATOM 304 CB PRO A 934 17.168 1.992 -8.322 1.00 0.00 C ATOM 305 CG PRO A 934 16.168 3.014 -8.739 1.00 0.00 C ATOM 306 CD PRO A 934 14.892 2.658 -8.028 1.00 0.00 C ATOM 0 HA PRO A 934 16.990 0.601 -6.616 1.00 0.00 H new ATOM 0 HB2 PRO A 934 18.183 2.385 -8.379 1.00 0.00 H new ATOM 0 HB3 PRO A 934 17.130 1.115 -8.968 1.00 0.00 H new ATOM 0 HG2 PRO A 934 16.499 4.017 -8.469 1.00 0.00 H new ATOM 0 HG3 PRO A 934 16.028 3.005 -9.820 1.00 0.00 H new ATOM 0 HD2 PRO A 934 14.311 3.545 -7.776 1.00 0.00 H new ATOM 0 HD3 PRO A 934 14.254 2.023 -8.642 1.00 0.00 H new ATOM 314 N PHE A 935 18.854 2.061 -5.682 1.00 0.00 N ATOM 315 CA PHE A 935 19.740 2.766 -4.763 1.00 0.00 C ATOM 316 C PHE A 935 19.939 4.214 -5.203 1.00 0.00 C ATOM 317 O PHE A 935 19.965 5.128 -4.379 1.00 0.00 O ATOM 318 CB PHE A 935 21.092 2.055 -4.680 1.00 0.00 C ATOM 319 CG PHE A 935 20.979 0.580 -4.424 1.00 0.00 C ATOM 320 CD1 PHE A 935 20.446 0.108 -3.236 1.00 0.00 C ATOM 321 CD2 PHE A 935 21.406 -0.336 -5.373 1.00 0.00 C ATOM 322 CE1 PHE A 935 20.341 -1.249 -2.998 1.00 0.00 C ATOM 323 CE2 PHE A 935 21.304 -1.694 -5.140 1.00 0.00 C ATOM 324 CZ PHE A 935 20.770 -2.152 -3.952 1.00 0.00 C ATOM 0 H PHE A 935 19.273 1.247 -6.131 1.00 0.00 H new ATOM 0 HA PHE A 935 19.276 2.766 -3.777 1.00 0.00 H new ATOM 0 HB2 PHE A 935 21.634 2.213 -5.612 1.00 0.00 H new ATOM 0 HB3 PHE A 935 21.684 2.509 -3.885 1.00 0.00 H new ATOM 0 HD1 PHE A 935 20.108 0.809 -2.487 1.00 0.00 H new ATOM 0 HD2 PHE A 935 21.823 0.016 -6.305 1.00 0.00 H new ATOM 0 HE1 PHE A 935 19.924 -1.604 -2.067 1.00 0.00 H new ATOM 0 HE2 PHE A 935 21.642 -2.397 -5.887 1.00 0.00 H new ATOM 0 HZ PHE A 935 20.688 -3.213 -3.769 1.00 0.00 H new ATOM 334 N THR A 936 20.082 4.415 -6.510 1.00 0.00 N ATOM 335 CA THR A 936 20.281 5.749 -7.060 1.00 0.00 C ATOM 336 C THR A 936 19.269 6.736 -6.490 1.00 0.00 C ATOM 337 O THR A 936 19.538 7.934 -6.400 1.00 0.00 O ATOM 338 CB THR A 936 20.168 5.746 -8.596 1.00 0.00 C ATOM 339 OG1 THR A 936 18.841 5.377 -8.989 1.00 0.00 O ATOM 340 CG2 THR A 936 21.170 4.781 -9.211 1.00 0.00 C ATOM 0 H THR A 936 20.064 3.670 -7.207 1.00 0.00 H new ATOM 0 HA THR A 936 21.287 6.060 -6.777 1.00 0.00 H new ATOM 0 HB THR A 936 20.387 6.751 -8.956 1.00 0.00 H new ATOM 0 HG1 THR A 936 18.777 5.379 -9.967 1.00 0.00 H new ATOM 0 HG21 THR A 936 21.071 4.796 -10.296 1.00 0.00 H new ATOM 0 HG22 THR A 936 22.181 5.081 -8.934 1.00 0.00 H new ATOM 0 HG23 THR A 936 20.977 3.773 -8.843 1.00 0.00 H new ATOM 348 N VAL A 937 18.104 6.226 -6.104 1.00 0.00 N ATOM 349 CA VAL A 937 17.051 7.062 -5.540 1.00 0.00 C ATOM 350 C VAL A 937 17.558 7.843 -4.333 1.00 0.00 C ATOM 351 O VAL A 937 18.246 7.296 -3.471 1.00 0.00 O ATOM 352 CB VAL A 937 15.832 6.222 -5.118 1.00 0.00 C ATOM 353 CG1 VAL A 937 14.793 7.095 -4.431 1.00 0.00 C ATOM 354 CG2 VAL A 937 15.231 5.514 -6.323 1.00 0.00 C ATOM 0 H VAL A 937 17.865 5.237 -6.172 1.00 0.00 H new ATOM 0 HA VAL A 937 16.749 7.760 -6.321 1.00 0.00 H new ATOM 0 HB VAL A 937 16.163 5.465 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 937 13.939 6.483 -4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 937 15.231 7.552 -3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 937 14.463 7.876 -5.116 1.00 0.00 H new ATOM 0 HG21 VAL A 937 14.370 4.925 -6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 937 14.914 6.253 -7.059 1.00 0.00 H new ATOM 0 HG23 VAL A 937 15.977 4.856 -6.768 1.00 0.00 H new ATOM 364 N SER A 938 17.214 9.126 -4.278 1.00 0.00 N ATOM 365 CA SER A 938 17.637 9.984 -3.178 1.00 0.00 C ATOM 366 C SER A 938 16.544 10.987 -2.820 1.00 0.00 C ATOM 367 O SER A 938 15.540 11.105 -3.524 1.00 0.00 O ATOM 368 CB SER A 938 18.924 10.725 -3.546 1.00 0.00 C ATOM 369 OG SER A 938 20.037 9.848 -3.540 1.00 0.00 O ATOM 0 H SER A 938 16.644 9.594 -4.982 1.00 0.00 H new ATOM 0 HA SER A 938 17.826 9.353 -2.310 1.00 0.00 H new ATOM 0 HB2 SER A 938 18.818 11.176 -4.532 1.00 0.00 H new ATOM 0 HB3 SER A 938 19.094 11.538 -2.840 1.00 0.00 H new ATOM 0 HG SER A 938 20.847 10.345 -3.780 1.00 0.00 H new ATOM 375 N ILE A 939 16.747 11.707 -1.721 1.00 0.00 N ATOM 376 CA ILE A 939 15.780 12.700 -1.270 1.00 0.00 C ATOM 377 C ILE A 939 15.519 13.743 -2.351 1.00 0.00 C ATOM 378 O ILE A 939 14.377 14.143 -2.580 1.00 0.00 O ATOM 379 CB ILE A 939 16.259 13.411 0.009 1.00 0.00 C ATOM 380 CG1 ILE A 939 16.444 12.400 1.142 1.00 0.00 C ATOM 381 CG2 ILE A 939 15.270 14.494 0.415 1.00 0.00 C ATOM 382 CD1 ILE A 939 17.339 12.897 2.255 1.00 0.00 C ATOM 0 H ILE A 939 17.572 11.621 -1.127 1.00 0.00 H new ATOM 0 HA ILE A 939 14.855 12.165 -1.054 1.00 0.00 H new ATOM 0 HB ILE A 939 17.221 13.882 -0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 939 15.468 12.149 1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 939 16.863 11.481 0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 939 15.622 14.988 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 939 15.183 15.227 -0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 939 14.295 14.044 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 939 17.425 12.129 3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 939 18.327 13.121 1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 939 16.911 13.800 2.691 1.00 0.00 H new ATOM 394 N ASP A 940 16.584 14.180 -3.014 1.00 0.00 N ATOM 395 CA ASP A 940 16.470 15.175 -4.074 1.00 0.00 C ATOM 396 C ASP A 940 15.638 14.640 -5.235 1.00 0.00 C ATOM 397 O ASP A 940 14.756 15.329 -5.747 1.00 0.00 O ATOM 398 CB ASP A 940 17.858 15.583 -4.571 1.00 0.00 C ATOM 399 CG ASP A 940 17.802 16.364 -5.869 1.00 0.00 C ATOM 400 OD1 ASP A 940 17.487 17.572 -5.820 1.00 0.00 O ATOM 401 OD2 ASP A 940 18.071 15.768 -6.933 1.00 0.00 O ATOM 0 H ASP A 940 17.536 13.861 -2.836 1.00 0.00 H new ATOM 0 HA ASP A 940 15.967 16.051 -3.664 1.00 0.00 H new ATOM 0 HB2 ASP A 940 18.351 16.186 -3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 940 18.467 14.690 -4.714 1.00 0.00 H new ATOM 406 N GLU A 941 15.925 13.409 -5.645 1.00 0.00 N ATOM 407 CA GLU A 941 15.204 12.783 -6.747 1.00 0.00 C ATOM 408 C GLU A 941 13.740 12.556 -6.379 1.00 0.00 C ATOM 409 O GLU A 941 12.841 12.818 -7.178 1.00 0.00 O ATOM 410 CB GLU A 941 15.859 11.453 -7.124 1.00 0.00 C ATOM 411 CG GLU A 941 17.265 11.603 -7.681 1.00 0.00 C ATOM 412 CD GLU A 941 17.338 12.600 -8.820 1.00 0.00 C ATOM 413 OE1 GLU A 941 16.724 12.339 -9.876 1.00 0.00 O ATOM 414 OE2 GLU A 941 18.008 13.641 -8.657 1.00 0.00 O ATOM 0 H GLU A 941 16.652 12.825 -5.231 1.00 0.00 H new ATOM 0 HA GLU A 941 15.246 13.455 -7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 941 15.893 10.812 -6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 941 15.237 10.948 -7.863 1.00 0.00 H new ATOM 0 HG2 GLU A 941 17.936 11.920 -6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 941 17.619 10.633 -8.029 1.00 0.00 H new ATOM 421 N ILE A 942 13.510 12.067 -5.165 1.00 0.00 N ATOM 422 CA ILE A 942 12.157 11.804 -4.692 1.00 0.00 C ATOM 423 C ILE A 942 11.328 13.084 -4.660 1.00 0.00 C ATOM 424 O ILE A 942 10.210 13.126 -5.175 1.00 0.00 O ATOM 425 CB ILE A 942 12.164 11.176 -3.286 1.00 0.00 C ATOM 426 CG1 ILE A 942 12.721 9.752 -3.343 1.00 0.00 C ATOM 427 CG2 ILE A 942 10.761 11.179 -2.697 1.00 0.00 C ATOM 428 CD1 ILE A 942 13.338 9.292 -2.041 1.00 0.00 C ATOM 0 H ILE A 942 14.243 11.845 -4.491 1.00 0.00 H new ATOM 0 HA ILE A 942 11.709 11.100 -5.393 1.00 0.00 H new ATOM 0 HB ILE A 942 12.809 11.773 -2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 942 11.918 9.067 -3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 942 13.472 9.695 -4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 942 10.783 10.732 -1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 942 10.398 12.204 -2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 942 10.095 10.603 -3.340 1.00 0.00 H new ATOM 0 HD11 ILE A 942 13.712 8.274 -2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 942 14.162 9.954 -1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 942 12.585 9.316 -1.253 1.00 0.00 H new ATOM 440 N LEU A 943 11.884 14.127 -4.054 1.00 0.00 N ATOM 441 CA LEU A 943 11.197 15.411 -3.956 1.00 0.00 C ATOM 442 C LEU A 943 10.816 15.931 -5.338 1.00 0.00 C ATOM 443 O LEU A 943 9.716 16.449 -5.536 1.00 0.00 O ATOM 444 CB LEU A 943 12.083 16.432 -3.241 1.00 0.00 C ATOM 445 CG LEU A 943 11.986 16.454 -1.715 1.00 0.00 C ATOM 446 CD1 LEU A 943 13.000 17.424 -1.129 1.00 0.00 C ATOM 447 CD2 LEU A 943 10.576 16.822 -1.276 1.00 0.00 C ATOM 0 H LEU A 943 12.808 14.109 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 943 10.284 15.264 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 943 13.120 16.239 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 943 11.833 17.425 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 943 12.212 15.456 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 943 12.916 17.426 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 943 14.006 17.116 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 943 12.806 18.427 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 943 10.525 16.833 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 943 10.321 17.809 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 943 9.871 16.088 -1.665 1.00 0.00 H new ATOM 459 N ASP A 944 11.729 15.787 -6.292 1.00 0.00 N ATOM 460 CA ASP A 944 11.488 16.239 -7.657 1.00 0.00 C ATOM 461 C ASP A 944 10.469 15.343 -8.354 1.00 0.00 C ATOM 462 O ASP A 944 9.710 15.797 -9.210 1.00 0.00 O ATOM 463 CB ASP A 944 12.796 16.258 -8.450 1.00 0.00 C ATOM 464 CG ASP A 944 12.733 17.185 -9.648 1.00 0.00 C ATOM 465 OD1 ASP A 944 12.601 18.410 -9.444 1.00 0.00 O ATOM 466 OD2 ASP A 944 12.818 16.685 -10.789 1.00 0.00 O ATOM 0 H ASP A 944 12.644 15.360 -6.145 1.00 0.00 H new ATOM 0 HA ASP A 944 11.085 17.251 -7.612 1.00 0.00 H new ATOM 0 HB2 ASP A 944 13.610 16.570 -7.795 1.00 0.00 H new ATOM 0 HB3 ASP A 944 13.028 15.248 -8.788 1.00 0.00 H new ATOM 471 N PHE A 945 10.458 14.067 -7.982 1.00 0.00 N ATOM 472 CA PHE A 945 9.534 13.106 -8.573 1.00 0.00 C ATOM 473 C PHE A 945 8.092 13.443 -8.206 1.00 0.00 C ATOM 474 O PHE A 945 7.173 13.235 -8.999 1.00 0.00 O ATOM 475 CB PHE A 945 9.873 11.688 -8.108 1.00 0.00 C ATOM 476 CG PHE A 945 8.813 10.678 -8.442 1.00 0.00 C ATOM 477 CD1 PHE A 945 7.662 10.584 -7.677 1.00 0.00 C ATOM 478 CD2 PHE A 945 8.967 9.824 -9.522 1.00 0.00 C ATOM 479 CE1 PHE A 945 6.685 9.655 -7.982 1.00 0.00 C ATOM 480 CE2 PHE A 945 7.994 8.893 -9.832 1.00 0.00 C ATOM 481 CZ PHE A 945 6.851 8.809 -9.062 1.00 0.00 C ATOM 0 H PHE A 945 11.079 13.675 -7.274 1.00 0.00 H new ATOM 0 HA PHE A 945 9.637 13.159 -9.657 1.00 0.00 H new ATOM 0 HB2 PHE A 945 10.814 11.380 -8.564 1.00 0.00 H new ATOM 0 HB3 PHE A 945 10.029 11.696 -7.029 1.00 0.00 H new ATOM 0 HD1 PHE A 945 7.526 11.244 -6.833 1.00 0.00 H new ATOM 0 HD2 PHE A 945 9.858 9.887 -10.129 1.00 0.00 H new ATOM 0 HE1 PHE A 945 5.793 9.590 -7.377 1.00 0.00 H new ATOM 0 HE2 PHE A 945 8.127 8.232 -10.676 1.00 0.00 H new ATOM 0 HZ PHE A 945 6.088 8.084 -9.303 1.00 0.00 H new ATOM 491 N PHE A 946 7.901 13.963 -6.998 1.00 0.00 N ATOM 492 CA PHE A 946 6.571 14.327 -6.524 1.00 0.00 C ATOM 493 C PHE A 946 6.273 15.795 -6.814 1.00 0.00 C ATOM 494 O PHE A 946 5.312 16.360 -6.292 1.00 0.00 O ATOM 495 CB PHE A 946 6.449 14.057 -5.023 1.00 0.00 C ATOM 496 CG PHE A 946 6.249 12.607 -4.688 1.00 0.00 C ATOM 497 CD1 PHE A 946 4.975 12.066 -4.628 1.00 0.00 C ATOM 498 CD2 PHE A 946 7.335 11.784 -4.434 1.00 0.00 C ATOM 499 CE1 PHE A 946 4.787 10.731 -4.321 1.00 0.00 C ATOM 500 CE2 PHE A 946 7.153 10.449 -4.127 1.00 0.00 C ATOM 501 CZ PHE A 946 5.878 9.922 -4.069 1.00 0.00 C ATOM 0 H PHE A 946 8.650 14.142 -6.330 1.00 0.00 H new ATOM 0 HA PHE A 946 5.843 13.715 -7.056 1.00 0.00 H new ATOM 0 HB2 PHE A 946 7.349 14.416 -4.523 1.00 0.00 H new ATOM 0 HB3 PHE A 946 5.613 14.632 -4.626 1.00 0.00 H new ATOM 0 HD1 PHE A 946 4.119 12.694 -4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 946 8.335 12.191 -4.477 1.00 0.00 H new ATOM 0 HE1 PHE A 946 3.789 10.321 -4.278 1.00 0.00 H new ATOM 0 HE2 PHE A 946 8.008 9.818 -3.932 1.00 0.00 H new ATOM 0 HZ PHE A 946 5.734 8.879 -3.827 1.00 0.00 H new ATOM 511 N TYR A 947 7.104 16.407 -7.651 1.00 0.00 N ATOM 512 CA TYR A 947 6.933 17.810 -8.009 1.00 0.00 C ATOM 513 C TYR A 947 5.501 18.086 -8.458 1.00 0.00 C ATOM 514 O TYR A 947 4.828 17.210 -9.000 1.00 0.00 O ATOM 515 CB TYR A 947 7.912 18.198 -9.118 1.00 0.00 C ATOM 516 CG TYR A 947 7.946 19.682 -9.403 1.00 0.00 C ATOM 517 CD1 TYR A 947 8.286 20.592 -8.409 1.00 0.00 C ATOM 518 CD2 TYR A 947 7.639 20.175 -10.665 1.00 0.00 C ATOM 519 CE1 TYR A 947 8.318 21.950 -8.665 1.00 0.00 C ATOM 520 CE2 TYR A 947 7.670 21.530 -10.930 1.00 0.00 C ATOM 521 CZ TYR A 947 8.010 22.414 -9.927 1.00 0.00 C ATOM 522 OH TYR A 947 8.041 23.765 -10.186 1.00 0.00 O ATOM 0 H TYR A 947 7.903 15.953 -8.094 1.00 0.00 H new ATOM 0 HA TYR A 947 7.140 18.413 -7.125 1.00 0.00 H new ATOM 0 HB2 TYR A 947 8.913 17.867 -8.840 1.00 0.00 H new ATOM 0 HB3 TYR A 947 7.643 17.667 -10.031 1.00 0.00 H new ATOM 0 HD1 TYR A 947 8.529 20.232 -7.420 1.00 0.00 H new ATOM 0 HD2 TYR A 947 7.371 19.486 -11.453 1.00 0.00 H new ATOM 0 HE1 TYR A 947 8.583 22.644 -7.881 1.00 0.00 H new ATOM 0 HE2 TYR A 947 7.429 21.896 -11.917 1.00 0.00 H new ATOM 0 HH TYR A 947 7.800 23.924 -11.122 1.00 0.00 H new ATOM 532 N GLY A 948 5.043 19.313 -8.230 1.00 0.00 N ATOM 533 CA GLY A 948 3.695 19.685 -8.617 1.00 0.00 C ATOM 534 C GLY A 948 2.693 19.484 -7.498 1.00 0.00 C ATOM 535 O GLY A 948 1.723 20.234 -7.381 1.00 0.00 O ATOM 0 H GLY A 948 5.581 20.056 -7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 948 3.685 20.730 -8.926 1.00 0.00 H new ATOM 0 HA3 GLY A 948 3.393 19.094 -9.482 1.00 0.00 H new ATOM 539 N TYR A 949 2.926 18.469 -6.673 1.00 0.00 N ATOM 540 CA TYR A 949 2.034 18.169 -5.559 1.00 0.00 C ATOM 541 C TYR A 949 2.622 18.665 -4.241 1.00 0.00 C ATOM 542 O TYR A 949 3.816 18.510 -3.986 1.00 0.00 O ATOM 543 CB TYR A 949 1.772 16.665 -5.480 1.00 0.00 C ATOM 544 CG TYR A 949 1.052 16.111 -6.688 1.00 0.00 C ATOM 545 CD1 TYR A 949 -0.321 16.268 -6.836 1.00 0.00 C ATOM 546 CD2 TYR A 949 1.744 15.429 -7.682 1.00 0.00 C ATOM 547 CE1 TYR A 949 -0.983 15.764 -7.939 1.00 0.00 C ATOM 548 CE2 TYR A 949 1.090 14.922 -8.788 1.00 0.00 C ATOM 549 CZ TYR A 949 -0.273 15.092 -8.912 1.00 0.00 C ATOM 550 OH TYR A 949 -0.928 14.587 -10.012 1.00 0.00 O ATOM 0 H TYR A 949 3.725 17.840 -6.755 1.00 0.00 H new ATOM 0 HA TYR A 949 1.091 18.687 -5.732 1.00 0.00 H new ATOM 0 HB2 TYR A 949 2.723 16.145 -5.364 1.00 0.00 H new ATOM 0 HB3 TYR A 949 1.182 16.454 -4.588 1.00 0.00 H new ATOM 0 HD1 TYR A 949 -0.880 16.793 -6.076 1.00 0.00 H new ATOM 0 HD2 TYR A 949 2.811 15.293 -7.588 1.00 0.00 H new ATOM 0 HE1 TYR A 949 -2.050 15.895 -8.039 1.00 0.00 H new ATOM 0 HE2 TYR A 949 1.643 14.395 -9.552 1.00 0.00 H new ATOM 0 HH TYR A 949 -0.283 14.143 -10.602 1.00 0.00 H new ATOM 560 N GLN A 950 1.774 19.260 -3.409 1.00 0.00 N ATOM 561 CA GLN A 950 2.209 19.778 -2.118 1.00 0.00 C ATOM 562 C GLN A 950 2.563 18.641 -1.165 1.00 0.00 C ATOM 563 O GLN A 950 1.712 18.152 -0.422 1.00 0.00 O ATOM 564 CB GLN A 950 1.117 20.654 -1.501 1.00 0.00 C ATOM 565 CG GLN A 950 0.680 21.802 -2.397 1.00 0.00 C ATOM 566 CD GLN A 950 -0.444 22.619 -1.792 1.00 0.00 C ATOM 567 OE1 GLN A 950 -0.227 23.726 -1.299 1.00 0.00 O ATOM 568 NE2 GLN A 950 -1.656 22.076 -1.826 1.00 0.00 N ATOM 0 H GLN A 950 0.782 19.395 -3.606 1.00 0.00 H new ATOM 0 HA GLN A 950 3.101 20.382 -2.281 1.00 0.00 H new ATOM 0 HB2 GLN A 950 0.251 20.033 -1.272 1.00 0.00 H new ATOM 0 HB3 GLN A 950 1.478 21.059 -0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 950 1.533 22.452 -2.590 1.00 0.00 H new ATOM 0 HG3 GLN A 950 0.358 21.404 -3.359 1.00 0.00 H new ATOM 0 HE21 GLN A 950 -1.791 21.156 -2.244 1.00 0.00 H new ATOM 0 HE22 GLN A 950 -2.452 22.579 -1.434 1.00 0.00 H new ATOM 577 N VAL A 951 3.824 18.222 -1.193 1.00 0.00 N ATOM 578 CA VAL A 951 4.291 17.142 -0.332 1.00 0.00 C ATOM 579 C VAL A 951 4.699 17.670 1.039 1.00 0.00 C ATOM 580 O VAL A 951 5.557 18.547 1.147 1.00 0.00 O ATOM 581 CB VAL A 951 5.485 16.400 -0.961 1.00 0.00 C ATOM 582 CG1 VAL A 951 6.032 15.357 0.002 1.00 0.00 C ATOM 583 CG2 VAL A 951 5.079 15.759 -2.279 1.00 0.00 C ATOM 0 H VAL A 951 4.541 18.614 -1.803 1.00 0.00 H new ATOM 0 HA VAL A 951 3.460 16.446 -0.217 1.00 0.00 H new ATOM 0 HB VAL A 951 6.275 17.123 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 951 6.875 14.843 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 951 6.362 15.846 0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 951 5.251 14.634 0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 951 5.935 15.239 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 951 4.272 15.047 -2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 951 4.739 16.531 -2.969 1.00 0.00 H new ATOM 593 N ILE A 952 4.080 17.130 2.083 1.00 0.00 N ATOM 594 CA ILE A 952 4.380 17.545 3.447 1.00 0.00 C ATOM 595 C ILE A 952 5.880 17.494 3.720 1.00 0.00 C ATOM 596 O ILE A 952 6.549 16.493 3.463 1.00 0.00 O ATOM 597 CB ILE A 952 3.652 16.662 4.478 1.00 0.00 C ATOM 598 CG1 ILE A 952 2.139 16.857 4.370 1.00 0.00 C ATOM 599 CG2 ILE A 952 4.135 16.981 5.884 1.00 0.00 C ATOM 600 CD1 ILE A 952 1.343 15.881 5.209 1.00 0.00 C ATOM 0 H ILE A 952 3.367 16.404 2.010 1.00 0.00 H new ATOM 0 HA ILE A 952 4.029 18.572 3.548 1.00 0.00 H new ATOM 0 HB ILE A 952 3.880 15.617 4.266 1.00 0.00 H new ATOM 0 HG12 ILE A 952 1.889 17.873 4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 952 1.841 16.754 3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 952 3.611 16.349 6.601 1.00 0.00 H new ATOM 0 HG22 ILE A 952 5.207 16.795 5.951 1.00 0.00 H new ATOM 0 HG23 ILE A 952 3.934 18.028 6.109 1.00 0.00 H new ATOM 0 HD11 ILE A 952 0.278 16.078 5.084 1.00 0.00 H new ATOM 0 HD12 ILE A 952 1.564 14.862 4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 952 1.613 15.999 6.258 1.00 0.00 H new ATOM 612 N PRO A 953 6.421 18.598 4.255 1.00 0.00 N ATOM 613 CA PRO A 953 7.848 18.704 4.577 1.00 0.00 C ATOM 614 C PRO A 953 8.243 17.820 5.755 1.00 0.00 C ATOM 615 O PRO A 953 7.657 17.907 6.833 1.00 0.00 O ATOM 616 CB PRO A 953 8.022 20.182 4.935 1.00 0.00 C ATOM 617 CG PRO A 953 6.674 20.622 5.394 1.00 0.00 C ATOM 618 CD PRO A 953 5.683 19.828 4.588 1.00 0.00 C ATOM 0 HA PRO A 953 8.478 18.375 3.751 1.00 0.00 H new ATOM 0 HB2 PRO A 953 8.769 20.314 5.717 1.00 0.00 H new ATOM 0 HB3 PRO A 953 8.356 20.761 4.074 1.00 0.00 H new ATOM 0 HG2 PRO A 953 6.546 20.439 6.461 1.00 0.00 H new ATOM 0 HG3 PRO A 953 6.538 21.692 5.236 1.00 0.00 H new ATOM 0 HD2 PRO A 953 4.781 19.613 5.160 1.00 0.00 H new ATOM 0 HD3 PRO A 953 5.372 20.365 3.692 1.00 0.00 H new ATOM 626 N GLY A 954 9.243 16.970 5.542 1.00 0.00 N ATOM 627 CA GLY A 954 9.699 16.083 6.595 1.00 0.00 C ATOM 628 C GLY A 954 8.996 14.740 6.569 1.00 0.00 C ATOM 629 O GLY A 954 9.387 13.812 7.277 1.00 0.00 O ATOM 0 H GLY A 954 9.745 16.880 4.659 1.00 0.00 H new ATOM 0 HA2 GLY A 954 10.773 15.929 6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 954 9.533 16.557 7.562 1.00 0.00 H new ATOM 633 N SER A 955 7.953 14.637 5.751 1.00 0.00 N ATOM 634 CA SER A 955 7.189 13.399 5.640 1.00 0.00 C ATOM 635 C SER A 955 8.034 12.294 5.014 1.00 0.00 C ATOM 636 O SER A 955 8.102 11.179 5.532 1.00 0.00 O ATOM 637 CB SER A 955 5.928 13.628 4.804 1.00 0.00 C ATOM 638 OG SER A 955 6.233 13.669 3.421 1.00 0.00 O ATOM 0 H SER A 955 7.618 15.395 5.156 1.00 0.00 H new ATOM 0 HA SER A 955 6.900 13.087 6.644 1.00 0.00 H new ATOM 0 HB2 SER A 955 5.210 12.831 4.998 1.00 0.00 H new ATOM 0 HB3 SER A 955 5.455 14.563 5.103 1.00 0.00 H new ATOM 0 HG SER A 955 6.397 14.596 3.150 1.00 0.00 H new ATOM 644 N VAL A 956 8.678 12.611 3.895 1.00 0.00 N ATOM 645 CA VAL A 956 9.520 11.647 3.198 1.00 0.00 C ATOM 646 C VAL A 956 10.396 10.873 4.177 1.00 0.00 C ATOM 647 O VAL A 956 11.354 11.415 4.730 1.00 0.00 O ATOM 648 CB VAL A 956 10.420 12.337 2.156 1.00 0.00 C ATOM 649 CG1 VAL A 956 11.351 11.328 1.502 1.00 0.00 C ATOM 650 CG2 VAL A 956 9.575 13.050 1.111 1.00 0.00 C ATOM 0 H VAL A 956 8.632 13.529 3.452 1.00 0.00 H new ATOM 0 HA VAL A 956 8.851 10.954 2.687 1.00 0.00 H new ATOM 0 HB VAL A 956 11.031 13.082 2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 956 11.979 11.834 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 956 11.981 10.868 2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 956 10.761 10.558 1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 956 10.227 13.532 0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 956 8.937 12.326 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 956 8.955 13.803 1.597 1.00 0.00 H new ATOM 660 N CYS A 957 10.062 9.605 4.387 1.00 0.00 N ATOM 661 CA CYS A 957 10.818 8.756 5.300 1.00 0.00 C ATOM 662 C CYS A 957 11.417 7.562 4.563 1.00 0.00 C ATOM 663 O CYS A 957 10.693 6.737 4.004 1.00 0.00 O ATOM 664 CB CYS A 957 9.921 8.269 6.439 1.00 0.00 C ATOM 665 SG CYS A 957 10.815 7.834 7.949 1.00 0.00 S ATOM 0 H CYS A 957 9.272 9.142 3.937 1.00 0.00 H new ATOM 0 HA CYS A 957 11.632 9.349 5.717 1.00 0.00 H new ATOM 0 HB2 CYS A 957 9.193 9.046 6.672 1.00 0.00 H new ATOM 0 HB3 CYS A 957 9.360 7.399 6.098 1.00 0.00 H new ATOM 0 HG CYS A 957 9.971 7.436 8.854 1.00 0.00 H new ATOM 671 N LEU A 958 12.742 7.477 4.563 1.00 0.00 N ATOM 672 CA LEU A 958 13.439 6.385 3.893 1.00 0.00 C ATOM 673 C LEU A 958 13.674 5.220 4.850 1.00 0.00 C ATOM 674 O LEU A 958 14.224 5.397 5.937 1.00 0.00 O ATOM 675 CB LEU A 958 14.775 6.875 3.331 1.00 0.00 C ATOM 676 CG LEU A 958 14.695 7.988 2.285 1.00 0.00 C ATOM 677 CD1 LEU A 958 16.073 8.577 2.027 1.00 0.00 C ATOM 678 CD2 LEU A 958 14.087 7.463 0.993 1.00 0.00 C ATOM 0 H LEU A 958 13.356 8.151 5.020 1.00 0.00 H new ATOM 0 HA LEU A 958 12.812 6.036 3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 958 15.388 7.227 4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 958 15.294 6.025 2.889 1.00 0.00 H new ATOM 0 HG LEU A 958 14.051 8.778 2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 958 15.997 9.367 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 958 16.471 8.990 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 958 16.740 7.796 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 958 14.038 8.269 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 958 14.705 6.654 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 958 13.082 7.089 1.189 1.00 0.00 H new ATOM 690 N LYS A 959 13.255 4.029 4.437 1.00 0.00 N ATOM 691 CA LYS A 959 13.422 2.833 5.255 1.00 0.00 C ATOM 692 C LYS A 959 14.653 2.044 4.819 1.00 0.00 C ATOM 693 O LYS A 959 14.836 1.764 3.634 1.00 0.00 O ATOM 694 CB LYS A 959 12.177 1.949 5.162 1.00 0.00 C ATOM 695 CG LYS A 959 12.186 0.781 6.133 1.00 0.00 C ATOM 696 CD LYS A 959 10.802 0.173 6.287 1.00 0.00 C ATOM 697 CE LYS A 959 9.957 0.954 7.281 1.00 0.00 C ATOM 698 NZ LYS A 959 10.216 0.529 8.684 1.00 0.00 N ATOM 0 H LYS A 959 12.797 3.866 3.540 1.00 0.00 H new ATOM 0 HA LYS A 959 13.561 3.147 6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 959 11.294 2.559 5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 959 12.090 1.565 4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 959 12.882 0.019 5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 959 12.547 1.118 7.105 1.00 0.00 H new ATOM 0 HD2 LYS A 959 10.302 0.154 5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 959 10.893 -0.861 6.619 1.00 0.00 H new ATOM 0 HE2 LYS A 959 10.168 2.019 7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 959 8.901 0.815 7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 9.621 1.085 9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 9.991 -0.481 8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 11.218 0.686 8.915 1.00 0.00 H new ATOM 712 N TYR A 960 15.493 1.687 5.785 1.00 0.00 N ATOM 713 CA TYR A 960 16.706 0.930 5.500 1.00 0.00 C ATOM 714 C TYR A 960 16.618 -0.479 6.078 1.00 0.00 C ATOM 715 O TYR A 960 15.586 -0.877 6.617 1.00 0.00 O ATOM 716 CB TYR A 960 17.928 1.652 6.072 1.00 0.00 C ATOM 717 CG TYR A 960 18.046 3.091 5.623 1.00 0.00 C ATOM 718 CD1 TYR A 960 18.734 3.422 4.462 1.00 0.00 C ATOM 719 CD2 TYR A 960 17.470 4.119 6.359 1.00 0.00 C ATOM 720 CE1 TYR A 960 18.845 4.736 4.048 1.00 0.00 C ATOM 721 CE2 TYR A 960 17.575 5.435 5.952 1.00 0.00 C ATOM 722 CZ TYR A 960 18.263 5.738 4.796 1.00 0.00 C ATOM 723 OH TYR A 960 18.371 7.048 4.388 1.00 0.00 O ATOM 0 H TYR A 960 15.356 1.910 6.771 1.00 0.00 H new ATOM 0 HA TYR A 960 16.810 0.853 4.418 1.00 0.00 H new ATOM 0 HB2 TYR A 960 17.880 1.623 7.161 1.00 0.00 H new ATOM 0 HB3 TYR A 960 18.829 1.113 5.778 1.00 0.00 H new ATOM 0 HD1 TYR A 960 19.190 2.639 3.873 1.00 0.00 H new ATOM 0 HD2 TYR A 960 16.931 3.885 7.265 1.00 0.00 H new ATOM 0 HE1 TYR A 960 19.384 4.977 3.144 1.00 0.00 H new ATOM 0 HE2 TYR A 960 17.121 6.222 6.536 1.00 0.00 H new ATOM 0 HH TYR A 960 17.905 7.629 5.025 1.00 0.00 H new ATOM 733 N ASN A 961 17.709 -1.229 5.962 1.00 0.00 N ATOM 734 CA ASN A 961 17.756 -2.594 6.473 1.00 0.00 C ATOM 735 C ASN A 961 18.622 -2.676 7.726 1.00 0.00 C ATOM 736 O ASN A 961 19.127 -1.664 8.210 1.00 0.00 O ATOM 737 CB ASN A 961 18.298 -3.543 5.402 1.00 0.00 C ATOM 738 CG ASN A 961 19.378 -2.900 4.553 1.00 0.00 C ATOM 739 OD1 ASN A 961 20.248 -2.195 5.065 1.00 0.00 O ATOM 740 ND2 ASN A 961 19.326 -3.141 3.248 1.00 0.00 N ATOM 0 H ASN A 961 18.572 -0.915 5.519 1.00 0.00 H new ATOM 0 HA ASN A 961 16.741 -2.893 6.734 1.00 0.00 H new ATOM 0 HB2 ASN A 961 18.700 -4.436 5.881 1.00 0.00 H new ATOM 0 HB3 ASN A 961 17.479 -3.867 4.759 1.00 0.00 H new ATOM 0 HD21 ASN A 961 20.026 -2.735 2.626 1.00 0.00 H new ATOM 0 HD22 ASN A 961 18.587 -3.732 2.868 1.00 0.00 H new ATOM 747 N GLU A 962 18.788 -3.889 8.246 1.00 0.00 N ATOM 748 CA GLU A 962 19.593 -4.102 9.443 1.00 0.00 C ATOM 749 C GLU A 962 21.033 -3.650 9.219 1.00 0.00 C ATOM 750 O GLU A 962 21.688 -3.148 10.133 1.00 0.00 O ATOM 751 CB GLU A 962 19.567 -5.579 9.845 1.00 0.00 C ATOM 752 CG GLU A 962 20.089 -6.512 8.766 1.00 0.00 C ATOM 753 CD GLU A 962 19.644 -7.947 8.971 1.00 0.00 C ATOM 754 OE1 GLU A 962 20.219 -8.626 9.847 1.00 0.00 O ATOM 755 OE2 GLU A 962 18.722 -8.391 8.257 1.00 0.00 O ATOM 0 H GLU A 962 18.376 -4.737 7.857 1.00 0.00 H new ATOM 0 HA GLU A 962 19.165 -3.505 10.248 1.00 0.00 H new ATOM 0 HB2 GLU A 962 20.163 -5.712 10.748 1.00 0.00 H new ATOM 0 HB3 GLU A 962 18.544 -5.861 10.094 1.00 0.00 H new ATOM 0 HG2 GLU A 962 19.744 -6.164 7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 962 21.178 -6.472 8.752 1.00 0.00 H new ATOM 762 N LYS A 963 21.520 -3.832 7.996 1.00 0.00 N ATOM 763 CA LYS A 963 22.882 -3.443 7.649 1.00 0.00 C ATOM 764 C LYS A 963 23.025 -1.924 7.626 1.00 0.00 C ATOM 765 O LYS A 963 24.063 -1.383 8.003 1.00 0.00 O ATOM 766 CB LYS A 963 23.268 -4.022 6.286 1.00 0.00 C ATOM 767 CG LYS A 963 23.413 -5.534 6.288 1.00 0.00 C ATOM 768 CD LYS A 963 24.742 -5.967 6.884 1.00 0.00 C ATOM 769 CE LYS A 963 24.866 -7.482 6.929 1.00 0.00 C ATOM 770 NZ LYS A 963 26.129 -7.916 7.588 1.00 0.00 N ATOM 0 H LYS A 963 20.992 -4.247 7.228 1.00 0.00 H new ATOM 0 HA LYS A 963 23.552 -3.842 8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 963 22.513 -3.739 5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 963 24.209 -3.575 5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 963 22.596 -5.978 6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 963 23.331 -5.909 5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 963 25.559 -5.551 6.294 1.00 0.00 H new ATOM 0 HD3 LYS A 963 24.839 -5.563 7.892 1.00 0.00 H new ATOM 0 HE2 LYS A 963 24.014 -7.900 7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 963 24.830 -7.880 5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 963 26.176 -8.955 7.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 963 26.943 -7.538 7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 963 26.152 -7.558 8.564 1.00 0.00 H new ATOM 784 N GLY A 964 21.973 -1.242 7.183 1.00 0.00 N ATOM 785 CA GLY A 964 22.002 0.208 7.121 1.00 0.00 C ATOM 786 C GLY A 964 21.784 0.733 5.716 1.00 0.00 C ATOM 787 O GLY A 964 21.734 1.943 5.499 1.00 0.00 O ATOM 0 H GLY A 964 21.102 -1.667 6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 964 21.233 0.612 7.780 1.00 0.00 H new ATOM 0 HA3 GLY A 964 22.962 0.565 7.494 1.00 0.00 H new ATOM 791 N MET A 965 21.656 -0.180 4.759 1.00 0.00 N ATOM 792 CA MET A 965 21.443 0.198 3.366 1.00 0.00 C ATOM 793 C MET A 965 19.966 0.468 3.096 1.00 0.00 C ATOM 794 O MET A 965 19.082 -0.032 3.791 1.00 0.00 O ATOM 795 CB MET A 965 21.952 -0.902 2.433 1.00 0.00 C ATOM 796 CG MET A 965 23.450 -0.841 2.182 1.00 0.00 C ATOM 797 SD MET A 965 23.941 0.630 1.263 1.00 0.00 S ATOM 798 CE MET A 965 25.014 -0.088 0.022 1.00 0.00 C ATOM 0 H MET A 965 21.696 -1.186 4.922 1.00 0.00 H new ATOM 0 HA MET A 965 22.002 1.114 3.174 1.00 0.00 H new ATOM 0 HB2 MET A 965 21.703 -1.873 2.860 1.00 0.00 H new ATOM 0 HB3 MET A 965 21.429 -0.829 1.480 1.00 0.00 H new ATOM 0 HG2 MET A 965 23.975 -0.860 3.137 1.00 0.00 H new ATOM 0 HG3 MET A 965 23.758 -1.729 1.630 1.00 0.00 H new ATOM 0 HE1 MET A 965 25.398 0.699 -0.626 1.00 0.00 H new ATOM 0 HE2 MET A 965 25.847 -0.595 0.510 1.00 0.00 H new ATOM 0 HE3 MET A 965 24.451 -0.806 -0.574 1.00 0.00 H new ATOM 808 N PRO A 966 19.691 1.278 2.063 1.00 0.00 N ATOM 809 CA PRO A 966 18.322 1.632 1.677 1.00 0.00 C ATOM 810 C PRO A 966 17.564 0.450 1.081 1.00 0.00 C ATOM 811 O PRO A 966 18.038 -0.198 0.147 1.00 0.00 O ATOM 812 CB PRO A 966 18.521 2.726 0.625 1.00 0.00 C ATOM 813 CG PRO A 966 19.875 2.466 0.060 1.00 0.00 C ATOM 814 CD PRO A 966 20.695 1.909 1.190 1.00 0.00 C ATOM 0 HA PRO A 966 17.726 1.949 2.533 1.00 0.00 H new ATOM 0 HB2 PRO A 966 17.754 2.677 -0.147 1.00 0.00 H new ATOM 0 HB3 PRO A 966 18.462 3.719 1.070 1.00 0.00 H new ATOM 0 HG2 PRO A 966 19.823 1.760 -0.769 1.00 0.00 H new ATOM 0 HG3 PRO A 966 20.318 3.383 -0.329 1.00 0.00 H new ATOM 0 HD2 PRO A 966 21.430 1.186 0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 966 21.245 2.692 1.711 1.00 0.00 H new ATOM 822 N THR A 967 16.382 0.176 1.625 1.00 0.00 N ATOM 823 CA THR A 967 15.559 -0.928 1.146 1.00 0.00 C ATOM 824 C THR A 967 14.681 -0.493 -0.022 1.00 0.00 C ATOM 825 O THR A 967 13.607 -1.049 -0.244 1.00 0.00 O ATOM 826 CB THR A 967 14.662 -1.486 2.267 1.00 0.00 C ATOM 827 OG1 THR A 967 13.779 -0.464 2.743 1.00 0.00 O ATOM 828 CG2 THR A 967 15.502 -2.014 3.420 1.00 0.00 C ATOM 0 H THR A 967 15.974 0.703 2.397 1.00 0.00 H new ATOM 0 HA THR A 967 16.241 -1.710 0.812 1.00 0.00 H new ATOM 0 HB THR A 967 14.077 -2.309 1.857 1.00 0.00 H new ATOM 0 HG1 THR A 967 14.296 0.220 3.217 1.00 0.00 H new ATOM 0 HG21 THR A 967 14.847 -2.403 4.199 1.00 0.00 H new ATOM 0 HG22 THR A 967 16.152 -2.812 3.061 1.00 0.00 H new ATOM 0 HG23 THR A 967 16.110 -1.206 3.827 1.00 0.00 H new ATOM 836 N GLY A 968 15.147 0.505 -0.766 1.00 0.00 N ATOM 837 CA GLY A 968 14.391 0.997 -1.904 1.00 0.00 C ATOM 838 C GLY A 968 12.937 1.256 -1.565 1.00 0.00 C ATOM 839 O GLY A 968 12.048 0.985 -2.372 1.00 0.00 O ATOM 0 H GLY A 968 16.034 0.982 -0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 968 14.846 1.918 -2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 968 14.448 0.271 -2.715 1.00 0.00 H new ATOM 843 N GLU A 969 12.693 1.782 -0.368 1.00 0.00 N ATOM 844 CA GLU A 969 11.335 2.074 0.075 1.00 0.00 C ATOM 845 C GLU A 969 11.277 3.415 0.801 1.00 0.00 C ATOM 846 O GLU A 969 12.217 3.797 1.498 1.00 0.00 O ATOM 847 CB GLU A 969 10.824 0.962 0.993 1.00 0.00 C ATOM 848 CG GLU A 969 10.552 -0.347 0.270 1.00 0.00 C ATOM 849 CD GLU A 969 10.759 -1.558 1.159 1.00 0.00 C ATOM 850 OE1 GLU A 969 10.093 -1.640 2.212 1.00 0.00 O ATOM 851 OE2 GLU A 969 11.586 -2.422 0.801 1.00 0.00 O ATOM 0 H GLU A 969 13.418 2.014 0.311 1.00 0.00 H new ATOM 0 HA GLU A 969 10.696 2.129 -0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 969 11.557 0.787 1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 969 9.907 1.296 1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 969 9.528 -0.346 -0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 969 11.207 -0.422 -0.598 1.00 0.00 H new ATOM 858 N ALA A 970 10.167 4.125 0.632 1.00 0.00 N ATOM 859 CA ALA A 970 9.984 5.422 1.272 1.00 0.00 C ATOM 860 C ALA A 970 8.510 5.697 1.545 1.00 0.00 C ATOM 861 O ALA A 970 7.635 5.212 0.828 1.00 0.00 O ATOM 862 CB ALA A 970 10.578 6.525 0.408 1.00 0.00 C ATOM 0 H ALA A 970 9.380 3.824 0.057 1.00 0.00 H new ATOM 0 HA ALA A 970 10.506 5.404 2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 970 10.434 7.488 0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 970 11.644 6.344 0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 970 10.082 6.534 -0.562 1.00 0.00 H new ATOM 868 N MET A 971 8.241 6.478 2.587 1.00 0.00 N ATOM 869 CA MET A 971 6.871 6.817 2.954 1.00 0.00 C ATOM 870 C MET A 971 6.670 8.329 2.966 1.00 0.00 C ATOM 871 O MET A 971 7.561 9.080 3.363 1.00 0.00 O ATOM 872 CB MET A 971 6.529 6.235 4.326 1.00 0.00 C ATOM 873 CG MET A 971 6.034 4.798 4.271 1.00 0.00 C ATOM 874 SD MET A 971 6.056 3.993 5.884 1.00 0.00 S ATOM 875 CE MET A 971 4.975 5.075 6.817 1.00 0.00 C ATOM 0 H MET A 971 8.953 6.887 3.191 1.00 0.00 H new ATOM 0 HA MET A 971 6.204 6.385 2.208 1.00 0.00 H new ATOM 0 HB2 MET A 971 7.413 6.282 4.962 1.00 0.00 H new ATOM 0 HB3 MET A 971 5.766 6.856 4.795 1.00 0.00 H new ATOM 0 HG2 MET A 971 5.018 4.783 3.876 1.00 0.00 H new ATOM 0 HG3 MET A 971 6.655 4.230 3.578 1.00 0.00 H new ATOM 0 HE1 MET A 971 4.325 4.477 7.455 1.00 0.00 H new ATOM 0 HE2 MET A 971 5.574 5.744 7.435 1.00 0.00 H new ATOM 0 HE3 MET A 971 4.367 5.663 6.129 1.00 0.00 H new ATOM 885 N VAL A 972 5.495 8.769 2.527 1.00 0.00 N ATOM 886 CA VAL A 972 5.177 10.191 2.488 1.00 0.00 C ATOM 887 C VAL A 972 3.776 10.456 3.027 1.00 0.00 C ATOM 888 O VAL A 972 2.964 9.540 3.151 1.00 0.00 O ATOM 889 CB VAL A 972 5.279 10.750 1.057 1.00 0.00 C ATOM 890 CG1 VAL A 972 6.732 10.827 0.615 1.00 0.00 C ATOM 891 CG2 VAL A 972 4.465 9.899 0.094 1.00 0.00 C ATOM 0 H VAL A 972 4.747 8.161 2.193 1.00 0.00 H new ATOM 0 HA VAL A 972 5.908 10.696 3.120 1.00 0.00 H new ATOM 0 HB VAL A 972 4.869 11.760 1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 972 6.783 11.224 -0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 972 7.283 11.482 1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 972 7.172 9.830 0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 972 4.548 10.308 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 972 4.843 8.877 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 972 3.419 9.901 0.401 1.00 0.00 H new ATOM 901 N ALA A 973 3.499 11.717 3.346 1.00 0.00 N ATOM 902 CA ALA A 973 2.195 12.103 3.869 1.00 0.00 C ATOM 903 C ALA A 973 1.612 13.273 3.083 1.00 0.00 C ATOM 904 O ALA A 973 2.345 14.138 2.604 1.00 0.00 O ATOM 905 CB ALA A 973 2.302 12.459 5.345 1.00 0.00 C ATOM 0 H ALA A 973 4.161 12.488 3.251 1.00 0.00 H new ATOM 0 HA ALA A 973 1.522 11.253 3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 973 1.320 12.745 5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 973 2.667 11.596 5.902 1.00 0.00 H new ATOM 0 HB3 ALA A 973 2.995 13.291 5.469 1.00 0.00 H new ATOM 911 N PHE A 974 0.290 13.292 2.952 1.00 0.00 N ATOM 912 CA PHE A 974 -0.391 14.354 2.221 1.00 0.00 C ATOM 913 C PHE A 974 -1.533 14.937 3.048 1.00 0.00 C ATOM 914 O PHE A 974 -2.263 14.207 3.718 1.00 0.00 O ATOM 915 CB PHE A 974 -0.929 13.824 0.891 1.00 0.00 C ATOM 916 CG PHE A 974 0.106 13.774 -0.197 1.00 0.00 C ATOM 917 CD1 PHE A 974 0.949 12.682 -0.320 1.00 0.00 C ATOM 918 CD2 PHE A 974 0.235 14.820 -1.097 1.00 0.00 C ATOM 919 CE1 PHE A 974 1.903 12.634 -1.319 1.00 0.00 C ATOM 920 CE2 PHE A 974 1.186 14.777 -2.099 1.00 0.00 C ATOM 921 CZ PHE A 974 2.021 13.683 -2.210 1.00 0.00 C ATOM 0 H PHE A 974 -0.331 12.584 3.343 1.00 0.00 H new ATOM 0 HA PHE A 974 0.332 15.145 2.023 1.00 0.00 H new ATOM 0 HB2 PHE A 974 -1.332 12.823 1.044 1.00 0.00 H new ATOM 0 HB3 PHE A 974 -1.756 14.455 0.566 1.00 0.00 H new ATOM 0 HD1 PHE A 974 0.860 11.858 0.373 1.00 0.00 H new ATOM 0 HD2 PHE A 974 -0.415 15.679 -1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 974 2.555 11.777 -1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 974 1.276 15.598 -2.794 1.00 0.00 H new ATOM 0 HZ PHE A 974 2.765 13.647 -2.992 1.00 0.00 H new ATOM 931 N GLU A 975 -1.681 16.257 2.996 1.00 0.00 N ATOM 932 CA GLU A 975 -2.733 16.938 3.741 1.00 0.00 C ATOM 933 C GLU A 975 -4.097 16.693 3.103 1.00 0.00 C ATOM 934 O GLU A 975 -5.106 16.570 3.797 1.00 0.00 O ATOM 935 CB GLU A 975 -2.451 18.441 3.807 1.00 0.00 C ATOM 936 CG GLU A 975 -1.124 18.783 4.464 1.00 0.00 C ATOM 937 CD GLU A 975 -1.224 18.856 5.975 1.00 0.00 C ATOM 938 OE1 GLU A 975 -2.349 19.030 6.489 1.00 0.00 O ATOM 939 OE2 GLU A 975 -0.176 18.738 6.645 1.00 0.00 O ATOM 0 H GLU A 975 -1.086 16.876 2.446 1.00 0.00 H new ATOM 0 HA GLU A 975 -2.746 16.533 4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 975 -2.462 18.849 2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 975 -3.256 18.929 4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 975 -0.382 18.033 4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 975 -0.768 19.739 4.080 1.00 0.00 H new ATOM 946 N SER A 976 -4.120 16.624 1.776 1.00 0.00 N ATOM 947 CA SER A 976 -5.360 16.398 1.043 1.00 0.00 C ATOM 948 C SER A 976 -5.424 14.970 0.510 1.00 0.00 C ATOM 949 O SER A 976 -4.500 14.502 -0.157 1.00 0.00 O ATOM 950 CB SER A 976 -5.481 17.392 -0.114 1.00 0.00 C ATOM 951 OG SER A 976 -6.114 18.588 0.306 1.00 0.00 O ATOM 0 H SER A 976 -3.294 16.721 1.186 1.00 0.00 H new ATOM 0 HA SER A 976 -6.192 16.548 1.731 1.00 0.00 H new ATOM 0 HB2 SER A 976 -4.490 17.620 -0.507 1.00 0.00 H new ATOM 0 HB3 SER A 976 -6.051 16.941 -0.927 1.00 0.00 H new ATOM 0 HG SER A 976 -6.178 19.207 -0.451 1.00 0.00 H new ATOM 957 N ARG A 977 -6.520 14.282 0.810 1.00 0.00 N ATOM 958 CA ARG A 977 -6.705 12.906 0.363 1.00 0.00 C ATOM 959 C ARG A 977 -6.782 12.835 -1.159 1.00 0.00 C ATOM 960 O ARG A 977 -6.121 12.007 -1.786 1.00 0.00 O ATOM 961 CB ARG A 977 -7.975 12.314 0.977 1.00 0.00 C ATOM 962 CG ARG A 977 -8.041 10.798 0.898 1.00 0.00 C ATOM 963 CD ARG A 977 -9.014 10.228 1.918 1.00 0.00 C ATOM 964 NE ARG A 977 -10.369 10.124 1.384 1.00 0.00 N ATOM 965 CZ ARG A 977 -11.394 9.630 2.069 1.00 0.00 C ATOM 966 NH1 ARG A 977 -11.218 9.197 3.310 1.00 0.00 N ATOM 967 NH2 ARG A 977 -12.597 9.568 1.514 1.00 0.00 N ATOM 0 H ARG A 977 -7.294 14.654 1.361 1.00 0.00 H new ATOM 0 HA ARG A 977 -5.845 12.324 0.694 1.00 0.00 H new ATOM 0 HB2 ARG A 977 -8.039 12.618 2.022 1.00 0.00 H new ATOM 0 HB3 ARG A 977 -8.843 12.734 0.469 1.00 0.00 H new ATOM 0 HG2 ARG A 977 -8.346 10.498 -0.104 1.00 0.00 H new ATOM 0 HG3 ARG A 977 -7.049 10.380 1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 977 -8.672 9.242 2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 977 -9.022 10.862 2.805 1.00 0.00 H new ATOM 0 HE ARG A 977 -10.538 10.449 0.432 1.00 0.00 H new ATOM 0 HH11 ARG A 977 -10.294 9.243 3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 977 -12.006 8.818 3.835 1.00 0.00 H new ATOM 0 HH21 ARG A 977 -12.736 9.900 0.560 1.00 0.00 H new ATOM 0 HH22 ARG A 977 -13.383 9.188 2.042 1.00 0.00 H new ATOM 981 N ASP A 978 -7.594 13.707 -1.746 1.00 0.00 N ATOM 982 CA ASP A 978 -7.758 13.743 -3.195 1.00 0.00 C ATOM 983 C ASP A 978 -6.416 13.955 -3.888 1.00 0.00 C ATOM 984 O ASP A 978 -6.176 13.423 -4.972 1.00 0.00 O ATOM 985 CB ASP A 978 -8.732 14.854 -3.592 1.00 0.00 C ATOM 986 CG ASP A 978 -9.983 14.859 -2.736 1.00 0.00 C ATOM 987 OD1 ASP A 978 -10.424 13.766 -2.322 1.00 0.00 O ATOM 988 OD2 ASP A 978 -10.522 15.956 -2.481 1.00 0.00 O ATOM 0 H ASP A 978 -8.149 14.398 -1.241 1.00 0.00 H new ATOM 0 HA ASP A 978 -8.164 12.783 -3.514 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -8.233 15.819 -3.506 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -9.012 14.732 -4.638 1.00 0.00 H new ATOM 993 N GLU A 979 -5.545 14.736 -3.256 1.00 0.00 N ATOM 994 CA GLU A 979 -4.228 15.019 -3.814 1.00 0.00 C ATOM 995 C GLU A 979 -3.362 13.764 -3.827 1.00 0.00 C ATOM 996 O GLU A 979 -2.733 13.441 -4.835 1.00 0.00 O ATOM 997 CB GLU A 979 -3.536 16.122 -3.010 1.00 0.00 C ATOM 998 CG GLU A 979 -3.968 17.524 -3.402 1.00 0.00 C ATOM 999 CD GLU A 979 -4.071 17.705 -4.904 1.00 0.00 C ATOM 1000 OE1 GLU A 979 -5.148 17.417 -5.464 1.00 0.00 O ATOM 1001 OE2 GLU A 979 -3.072 18.136 -5.518 1.00 0.00 O ATOM 0 H GLU A 979 -5.728 15.184 -2.358 1.00 0.00 H new ATOM 0 HA GLU A 979 -4.361 15.358 -4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 979 -3.742 15.971 -1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 979 -2.458 16.033 -3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 979 -4.934 17.743 -2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 979 -3.256 18.245 -3.001 1.00 0.00 H new ATOM 1008 N ALA A 980 -3.333 13.059 -2.701 1.00 0.00 N ATOM 1009 CA ALA A 980 -2.546 11.838 -2.583 1.00 0.00 C ATOM 1010 C ALA A 980 -2.905 10.845 -3.682 1.00 0.00 C ATOM 1011 O ALA A 980 -2.026 10.268 -4.325 1.00 0.00 O ATOM 1012 CB ALA A 980 -2.750 11.209 -1.213 1.00 0.00 C ATOM 0 H ALA A 980 -3.846 13.313 -1.857 1.00 0.00 H new ATOM 0 HA ALA A 980 -1.494 12.101 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 980 -2.156 10.298 -1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 980 -2.436 11.911 -0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 980 -3.804 10.967 -1.077 1.00 0.00 H new ATOM 1018 N THR A 981 -4.203 10.648 -3.895 1.00 0.00 N ATOM 1019 CA THR A 981 -4.678 9.722 -4.915 1.00 0.00 C ATOM 1020 C THR A 981 -4.279 10.190 -6.310 1.00 0.00 C ATOM 1021 O THR A 981 -3.834 9.395 -7.138 1.00 0.00 O ATOM 1022 CB THR A 981 -6.209 9.561 -4.858 1.00 0.00 C ATOM 1023 OG1 THR A 981 -6.633 9.387 -3.502 1.00 0.00 O ATOM 1024 CG2 THR A 981 -6.659 8.371 -5.692 1.00 0.00 C ATOM 0 H THR A 981 -4.944 11.118 -3.374 1.00 0.00 H new ATOM 0 HA THR A 981 -4.211 8.759 -4.710 1.00 0.00 H new ATOM 0 HB THR A 981 -6.663 10.464 -5.267 1.00 0.00 H new ATOM 0 HG1 THR A 981 -7.608 9.287 -3.474 1.00 0.00 H new ATOM 0 HG21 THR A 981 -7.744 8.277 -5.637 1.00 0.00 H new ATOM 0 HG22 THR A 981 -6.360 8.520 -6.730 1.00 0.00 H new ATOM 0 HG23 THR A 981 -6.196 7.462 -5.308 1.00 0.00 H new ATOM 1032 N ALA A 982 -4.441 11.484 -6.564 1.00 0.00 N ATOM 1033 CA ALA A 982 -4.095 12.058 -7.859 1.00 0.00 C ATOM 1034 C ALA A 982 -2.605 11.906 -8.146 1.00 0.00 C ATOM 1035 O ALA A 982 -2.212 11.506 -9.241 1.00 0.00 O ATOM 1036 CB ALA A 982 -4.497 13.524 -7.911 1.00 0.00 C ATOM 0 H ALA A 982 -4.810 12.155 -5.890 1.00 0.00 H new ATOM 0 HA ALA A 982 -4.644 11.515 -8.628 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -4.233 13.939 -8.883 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -5.573 13.612 -7.759 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -3.974 14.073 -7.128 1.00 0.00 H new ATOM 1042 N ALA A 983 -1.780 12.228 -7.155 1.00 0.00 N ATOM 1043 CA ALA A 983 -0.334 12.126 -7.301 1.00 0.00 C ATOM 1044 C ALA A 983 0.091 10.686 -7.571 1.00 0.00 C ATOM 1045 O ALA A 983 0.973 10.432 -8.391 1.00 0.00 O ATOM 1046 CB ALA A 983 0.362 12.659 -6.057 1.00 0.00 C ATOM 0 H ALA A 983 -2.089 12.562 -6.242 1.00 0.00 H new ATOM 0 HA ALA A 983 -0.037 12.732 -8.157 1.00 0.00 H new ATOM 0 HB1 ALA A 983 1.442 12.576 -6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 983 0.093 13.705 -5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 983 0.051 12.078 -5.189 1.00 0.00 H new ATOM 1052 N VAL A 984 -0.543 9.747 -6.876 1.00 0.00 N ATOM 1053 CA VAL A 984 -0.232 8.333 -7.041 1.00 0.00 C ATOM 1054 C VAL A 984 -0.612 7.845 -8.435 1.00 0.00 C ATOM 1055 O VAL A 984 0.189 7.209 -9.121 1.00 0.00 O ATOM 1056 CB VAL A 984 -0.959 7.471 -5.992 1.00 0.00 C ATOM 1057 CG1 VAL A 984 -0.713 5.993 -6.251 1.00 0.00 C ATOM 1058 CG2 VAL A 984 -0.518 7.856 -4.588 1.00 0.00 C ATOM 0 H VAL A 984 -1.275 9.941 -6.193 1.00 0.00 H new ATOM 0 HA VAL A 984 0.844 8.229 -6.903 1.00 0.00 H new ATOM 0 HB VAL A 984 -2.030 7.656 -6.075 1.00 0.00 H new ATOM 0 HG11 VAL A 984 -1.235 5.400 -5.500 1.00 0.00 H new ATOM 0 HG12 VAL A 984 -1.084 5.731 -7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 984 0.356 5.787 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 984 -1.042 7.237 -3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 984 0.557 7.702 -4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 984 -0.752 8.905 -4.408 1.00 0.00 H new ATOM 1068 N ILE A 985 -1.838 8.149 -8.848 1.00 0.00 N ATOM 1069 CA ILE A 985 -2.324 7.743 -10.161 1.00 0.00 C ATOM 1070 C ILE A 985 -1.446 8.309 -11.271 1.00 0.00 C ATOM 1071 O ILE A 985 -1.068 7.598 -12.202 1.00 0.00 O ATOM 1072 CB ILE A 985 -3.777 8.198 -10.388 1.00 0.00 C ATOM 1073 CG1 ILE A 985 -4.694 7.608 -9.314 1.00 0.00 C ATOM 1074 CG2 ILE A 985 -4.249 7.790 -11.776 1.00 0.00 C ATOM 1075 CD1 ILE A 985 -5.955 8.411 -9.089 1.00 0.00 C ATOM 0 H ILE A 985 -2.513 8.675 -8.292 1.00 0.00 H new ATOM 0 HA ILE A 985 -2.284 6.654 -10.190 1.00 0.00 H new ATOM 0 HB ILE A 985 -3.817 9.285 -10.316 1.00 0.00 H new ATOM 0 HG12 ILE A 985 -4.966 6.592 -9.598 1.00 0.00 H new ATOM 0 HG13 ILE A 985 -4.144 7.540 -8.375 1.00 0.00 H new ATOM 0 HG21 ILE A 985 -5.278 8.119 -11.922 1.00 0.00 H new ATOM 0 HG22 ILE A 985 -3.610 8.253 -12.528 1.00 0.00 H new ATOM 0 HG23 ILE A 985 -4.197 6.706 -11.874 1.00 0.00 H new ATOM 0 HD11 ILE A 985 -6.557 7.934 -8.315 1.00 0.00 H new ATOM 0 HD12 ILE A 985 -5.692 9.421 -8.774 1.00 0.00 H new ATOM 0 HD13 ILE A 985 -6.527 8.458 -10.016 1.00 0.00 H new ATOM 1087 N ASP A 986 -1.122 9.593 -11.165 1.00 0.00 N ATOM 1088 CA ASP A 986 -0.286 10.256 -12.158 1.00 0.00 C ATOM 1089 C ASP A 986 1.170 9.819 -12.022 1.00 0.00 C ATOM 1090 O ASP A 986 1.924 9.824 -12.995 1.00 0.00 O ATOM 1091 CB ASP A 986 -0.391 11.775 -12.014 1.00 0.00 C ATOM 1092 CG ASP A 986 -1.533 12.356 -12.824 1.00 0.00 C ATOM 1093 OD1 ASP A 986 -1.307 12.708 -14.001 1.00 0.00 O ATOM 1094 OD2 ASP A 986 -2.653 12.458 -12.282 1.00 0.00 O ATOM 0 H ASP A 986 -1.426 10.196 -10.400 1.00 0.00 H new ATOM 0 HA ASP A 986 -0.643 9.968 -13.147 1.00 0.00 H new ATOM 0 HB2 ASP A 986 -0.529 12.029 -10.963 1.00 0.00 H new ATOM 0 HB3 ASP A 986 0.546 12.233 -12.332 1.00 0.00 H new ATOM 1099 N LEU A 987 1.557 9.443 -10.808 1.00 0.00 N ATOM 1100 CA LEU A 987 2.923 9.004 -10.543 1.00 0.00 C ATOM 1101 C LEU A 987 2.960 7.519 -10.195 1.00 0.00 C ATOM 1102 O LEU A 987 3.844 7.063 -9.471 1.00 0.00 O ATOM 1103 CB LEU A 987 3.531 9.822 -9.402 1.00 0.00 C ATOM 1104 CG LEU A 987 3.358 11.339 -9.498 1.00 0.00 C ATOM 1105 CD1 LEU A 987 3.490 11.979 -8.125 1.00 0.00 C ATOM 1106 CD2 LEU A 987 4.374 11.931 -10.464 1.00 0.00 C ATOM 0 H LEU A 987 0.945 9.433 -9.992 1.00 0.00 H new ATOM 0 HA LEU A 987 3.510 9.161 -11.448 1.00 0.00 H new ATOM 0 HB2 LEU A 987 3.090 9.485 -8.464 1.00 0.00 H new ATOM 0 HB3 LEU A 987 4.597 9.600 -9.350 1.00 0.00 H new ATOM 0 HG LEU A 987 2.359 11.548 -9.879 1.00 0.00 H new ATOM 0 HD11 LEU A 987 3.364 13.058 -8.213 1.00 0.00 H new ATOM 0 HD12 LEU A 987 2.724 11.577 -7.461 1.00 0.00 H new ATOM 0 HD13 LEU A 987 4.476 11.761 -7.715 1.00 0.00 H new ATOM 0 HD21 LEU A 987 4.236 13.011 -10.520 1.00 0.00 H new ATOM 0 HD22 LEU A 987 5.382 11.711 -10.112 1.00 0.00 H new ATOM 0 HD23 LEU A 987 4.232 11.495 -11.453 1.00 0.00 H new ATOM 1118 N ASN A 988 1.994 6.770 -10.717 1.00 0.00 N ATOM 1119 CA ASN A 988 1.917 5.336 -10.463 1.00 0.00 C ATOM 1120 C ASN A 988 2.696 4.554 -11.516 1.00 0.00 C ATOM 1121 O ASN A 988 2.507 4.752 -12.717 1.00 0.00 O ATOM 1122 CB ASN A 988 0.458 4.878 -10.447 1.00 0.00 C ATOM 1123 CG ASN A 988 0.309 3.408 -10.791 1.00 0.00 C ATOM 1124 OD1 ASN A 988 0.031 3.052 -11.936 1.00 0.00 O ATOM 1125 ND2 ASN A 988 0.495 2.547 -9.798 1.00 0.00 N ATOM 0 H ASN A 988 1.254 7.132 -11.318 1.00 0.00 H new ATOM 0 HA ASN A 988 2.363 5.141 -9.488 1.00 0.00 H new ATOM 0 HB2 ASN A 988 0.033 5.062 -9.460 1.00 0.00 H new ATOM 0 HB3 ASN A 988 -0.115 5.474 -11.157 1.00 0.00 H new ATOM 0 HD21 ASN A 988 0.409 1.545 -9.969 1.00 0.00 H new ATOM 0 HD22 ASN A 988 0.724 2.887 -8.864 1.00 0.00 H new ATOM 1132 N ASP A 989 3.571 3.666 -11.059 1.00 0.00 N ATOM 1133 CA ASP A 989 4.378 2.852 -11.961 1.00 0.00 C ATOM 1134 C ASP A 989 5.245 3.732 -12.856 1.00 0.00 C ATOM 1135 O ASP A 989 5.370 3.481 -14.055 1.00 0.00 O ATOM 1136 CB ASP A 989 3.479 1.959 -12.818 1.00 0.00 C ATOM 1137 CG ASP A 989 4.196 0.716 -13.307 1.00 0.00 C ATOM 1138 OD1 ASP A 989 5.416 0.797 -13.562 1.00 0.00 O ATOM 1139 OD2 ASP A 989 3.538 -0.337 -13.437 1.00 0.00 O ATOM 0 H ASP A 989 3.740 3.491 -10.068 1.00 0.00 H new ATOM 0 HA ASP A 989 5.032 2.223 -11.357 1.00 0.00 H new ATOM 0 HB2 ASP A 989 2.604 1.666 -12.238 1.00 0.00 H new ATOM 0 HB3 ASP A 989 3.118 2.527 -13.675 1.00 0.00 H new ATOM 1144 N ARG A 990 5.841 4.763 -12.267 1.00 0.00 N ATOM 1145 CA ARG A 990 6.694 5.681 -13.012 1.00 0.00 C ATOM 1146 C ARG A 990 8.127 5.160 -13.075 1.00 0.00 C ATOM 1147 O ARG A 990 8.703 4.733 -12.074 1.00 0.00 O ATOM 1148 CB ARG A 990 6.672 7.068 -12.368 1.00 0.00 C ATOM 1149 CG ARG A 990 5.540 7.952 -12.865 1.00 0.00 C ATOM 1150 CD ARG A 990 5.900 9.427 -12.765 1.00 0.00 C ATOM 1151 NE ARG A 990 6.553 9.914 -13.977 1.00 0.00 N ATOM 1152 CZ ARG A 990 5.951 9.986 -15.158 1.00 0.00 C ATOM 1153 NH1 ARG A 990 4.687 9.606 -15.286 1.00 0.00 N ATOM 1154 NH2 ARG A 990 6.612 10.441 -16.215 1.00 0.00 N ATOM 0 H ARG A 990 5.749 4.984 -11.275 1.00 0.00 H new ATOM 0 HA ARG A 990 6.307 5.754 -14.028 1.00 0.00 H new ATOM 0 HB2 ARG A 990 6.587 6.956 -11.287 1.00 0.00 H new ATOM 0 HB3 ARG A 990 7.622 7.565 -12.563 1.00 0.00 H new ATOM 0 HG2 ARG A 990 5.309 7.702 -13.901 1.00 0.00 H new ATOM 0 HG3 ARG A 990 4.640 7.755 -12.282 1.00 0.00 H new ATOM 0 HD2 ARG A 990 4.997 10.009 -12.581 1.00 0.00 H new ATOM 0 HD3 ARG A 990 6.559 9.582 -11.911 1.00 0.00 H new ATOM 0 HE ARG A 990 7.525 10.215 -13.913 1.00 0.00 H new ATOM 0 HH11 ARG A 990 4.175 9.257 -14.476 1.00 0.00 H new ATOM 0 HH12 ARG A 990 4.227 9.662 -16.195 1.00 0.00 H new ATOM 0 HH21 ARG A 990 7.584 10.736 -16.121 1.00 0.00 H new ATOM 0 HH22 ARG A 990 6.148 10.496 -17.122 1.00 0.00 H new ATOM 1168 N PRO A 991 8.717 5.196 -14.279 1.00 0.00 N ATOM 1169 CA PRO A 991 10.090 4.733 -14.502 1.00 0.00 C ATOM 1170 C PRO A 991 11.124 5.651 -13.858 1.00 0.00 C ATOM 1171 O PRO A 991 11.657 6.551 -14.508 1.00 0.00 O ATOM 1172 CB PRO A 991 10.229 4.755 -16.026 1.00 0.00 C ATOM 1173 CG PRO A 991 9.240 5.772 -16.481 1.00 0.00 C ATOM 1174 CD PRO A 991 8.091 5.693 -15.515 1.00 0.00 C ATOM 0 HA PRO A 991 10.266 3.753 -14.059 1.00 0.00 H new ATOM 0 HB2 PRO A 991 11.241 5.024 -16.328 1.00 0.00 H new ATOM 0 HB3 PRO A 991 10.018 3.776 -16.457 1.00 0.00 H new ATOM 0 HG2 PRO A 991 9.679 6.770 -16.484 1.00 0.00 H new ATOM 0 HG3 PRO A 991 8.909 5.566 -17.499 1.00 0.00 H new ATOM 0 HD2 PRO A 991 7.624 6.667 -15.365 1.00 0.00 H new ATOM 0 HD3 PRO A 991 7.313 5.018 -15.871 1.00 0.00 H new ATOM 1182 N ILE A 992 11.403 5.417 -12.581 1.00 0.00 N ATOM 1183 CA ILE A 992 12.374 6.222 -11.851 1.00 0.00 C ATOM 1184 C ILE A 992 13.790 5.692 -12.052 1.00 0.00 C ATOM 1185 O ILE A 992 14.031 4.488 -11.967 1.00 0.00 O ATOM 1186 CB ILE A 992 12.059 6.256 -10.344 1.00 0.00 C ATOM 1187 CG1 ILE A 992 10.881 7.192 -10.068 1.00 0.00 C ATOM 1188 CG2 ILE A 992 13.285 6.693 -9.556 1.00 0.00 C ATOM 1189 CD1 ILE A 992 10.673 7.485 -8.598 1.00 0.00 C ATOM 0 H ILE A 992 10.970 4.676 -12.030 1.00 0.00 H new ATOM 0 HA ILE A 992 12.308 7.234 -12.250 1.00 0.00 H new ATOM 0 HB ILE A 992 11.784 5.251 -10.023 1.00 0.00 H new ATOM 0 HG12 ILE A 992 11.041 8.131 -10.598 1.00 0.00 H new ATOM 0 HG13 ILE A 992 9.972 6.748 -10.474 1.00 0.00 H new ATOM 0 HG21 ILE A 992 13.046 6.712 -8.493 1.00 0.00 H new ATOM 0 HG22 ILE A 992 14.100 5.991 -9.732 1.00 0.00 H new ATOM 0 HG23 ILE A 992 13.588 7.689 -9.878 1.00 0.00 H new ATOM 0 HD11 ILE A 992 9.821 8.155 -8.477 1.00 0.00 H new ATOM 0 HD12 ILE A 992 10.481 6.554 -8.065 1.00 0.00 H new ATOM 0 HD13 ILE A 992 11.567 7.958 -8.191 1.00 0.00 H new ATOM 1201 N GLY A 993 14.724 6.600 -12.317 1.00 0.00 N ATOM 1202 CA GLY A 993 16.105 6.204 -12.523 1.00 0.00 C ATOM 1203 C GLY A 993 16.251 5.148 -13.601 1.00 0.00 C ATOM 1204 O GLY A 993 16.369 5.470 -14.783 1.00 0.00 O ATOM 0 H GLY A 993 14.549 7.602 -12.393 1.00 0.00 H new ATOM 0 HA2 GLY A 993 16.694 7.080 -12.795 1.00 0.00 H new ATOM 0 HA3 GLY A 993 16.514 5.823 -11.587 1.00 0.00 H new ATOM 1208 N SER A 994 16.244 3.883 -13.193 1.00 0.00 N ATOM 1209 CA SER A 994 16.382 2.776 -14.132 1.00 0.00 C ATOM 1210 C SER A 994 15.319 1.712 -13.877 1.00 0.00 C ATOM 1211 O SER A 994 15.239 0.715 -14.594 1.00 0.00 O ATOM 1212 CB SER A 994 17.777 2.157 -14.021 1.00 0.00 C ATOM 1213 OG SER A 994 18.138 1.951 -12.666 1.00 0.00 O ATOM 0 H SER A 994 16.144 3.599 -12.218 1.00 0.00 H new ATOM 0 HA SER A 994 16.245 3.167 -15.140 1.00 0.00 H new ATOM 0 HB2 SER A 994 17.800 1.207 -14.555 1.00 0.00 H new ATOM 0 HB3 SER A 994 18.507 2.810 -14.500 1.00 0.00 H new ATOM 0 HG SER A 994 19.033 1.553 -12.623 1.00 0.00 H new ATOM 1219 N ARG A 995 14.505 1.932 -12.850 1.00 0.00 N ATOM 1220 CA ARG A 995 13.447 0.992 -12.498 1.00 0.00 C ATOM 1221 C ARG A 995 12.135 1.725 -12.235 1.00 0.00 C ATOM 1222 O ARG A 995 12.122 2.932 -11.994 1.00 0.00 O ATOM 1223 CB ARG A 995 13.847 0.180 -11.265 1.00 0.00 C ATOM 1224 CG ARG A 995 15.283 -0.316 -11.301 1.00 0.00 C ATOM 1225 CD ARG A 995 15.570 -1.276 -10.158 1.00 0.00 C ATOM 1226 NE ARG A 995 15.195 -2.649 -10.488 1.00 0.00 N ATOM 1227 CZ ARG A 995 15.765 -3.353 -11.460 1.00 0.00 C ATOM 1228 NH1 ARG A 995 16.731 -2.816 -12.192 1.00 0.00 N ATOM 1229 NH2 ARG A 995 15.369 -4.596 -11.700 1.00 0.00 N ATOM 0 H ARG A 995 14.558 2.753 -12.247 1.00 0.00 H new ATOM 0 HA ARG A 995 13.302 0.314 -13.339 1.00 0.00 H new ATOM 0 HB2 ARG A 995 13.706 0.793 -10.375 1.00 0.00 H new ATOM 0 HB3 ARG A 995 13.178 -0.676 -11.172 1.00 0.00 H new ATOM 0 HG2 ARG A 995 15.473 -0.814 -12.252 1.00 0.00 H new ATOM 0 HG3 ARG A 995 15.964 0.533 -11.244 1.00 0.00 H new ATOM 0 HD2 ARG A 995 16.631 -1.239 -9.912 1.00 0.00 H new ATOM 0 HD3 ARG A 995 15.026 -0.955 -9.270 1.00 0.00 H new ATOM 0 HE ARG A 995 14.455 -3.091 -9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 995 17.038 -1.861 -12.009 1.00 0.00 H new ATOM 0 HH12 ARG A 995 17.167 -3.358 -12.938 1.00 0.00 H new ATOM 0 HH21 ARG A 995 14.626 -5.012 -11.138 1.00 0.00 H new ATOM 0 HH22 ARG A 995 15.807 -5.136 -12.446 1.00 0.00 H new ATOM 1243 N LYS A 996 11.031 0.986 -12.282 1.00 0.00 N ATOM 1244 CA LYS A 996 9.713 1.563 -12.048 1.00 0.00 C ATOM 1245 C LYS A 996 9.361 1.532 -10.565 1.00 0.00 C ATOM 1246 O LYS A 996 9.689 0.579 -9.858 1.00 0.00 O ATOM 1247 CB LYS A 996 8.652 0.807 -12.851 1.00 0.00 C ATOM 1248 CG LYS A 996 8.906 0.810 -14.349 1.00 0.00 C ATOM 1249 CD LYS A 996 8.123 -0.288 -15.050 1.00 0.00 C ATOM 1250 CE LYS A 996 8.043 -0.045 -16.549 1.00 0.00 C ATOM 1251 NZ LYS A 996 9.276 -0.499 -17.251 1.00 0.00 N ATOM 0 H LYS A 996 11.024 -0.015 -12.480 1.00 0.00 H new ATOM 0 HA LYS A 996 9.736 2.602 -12.376 1.00 0.00 H new ATOM 0 HB2 LYS A 996 8.609 -0.224 -12.500 1.00 0.00 H new ATOM 0 HB3 LYS A 996 7.676 1.251 -12.656 1.00 0.00 H new ATOM 0 HG2 LYS A 996 8.627 1.779 -14.764 1.00 0.00 H new ATOM 0 HG3 LYS A 996 9.971 0.676 -14.539 1.00 0.00 H new ATOM 0 HD2 LYS A 996 8.597 -1.251 -14.861 1.00 0.00 H new ATOM 0 HD3 LYS A 996 7.117 -0.341 -14.635 1.00 0.00 H new ATOM 0 HE2 LYS A 996 7.179 -0.570 -16.956 1.00 0.00 H new ATOM 0 HE3 LYS A 996 7.888 1.017 -16.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 996 9.182 -0.316 -18.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 996 10.098 0.020 -16.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 996 9.410 -1.518 -17.093 1.00 0.00 H new ATOM 1265 N VAL A 997 8.688 2.579 -10.098 1.00 0.00 N ATOM 1266 CA VAL A 997 8.289 2.670 -8.699 1.00 0.00 C ATOM 1267 C VAL A 997 6.800 2.388 -8.533 1.00 0.00 C ATOM 1268 O VAL A 997 6.004 2.640 -9.437 1.00 0.00 O ATOM 1269 CB VAL A 997 8.605 4.060 -8.114 1.00 0.00 C ATOM 1270 CG1 VAL A 997 10.084 4.174 -7.779 1.00 0.00 C ATOM 1271 CG2 VAL A 997 8.183 5.154 -9.083 1.00 0.00 C ATOM 0 H VAL A 997 8.408 3.376 -10.669 1.00 0.00 H new ATOM 0 HA VAL A 997 8.861 1.917 -8.157 1.00 0.00 H new ATOM 0 HB VAL A 997 8.038 4.185 -7.192 1.00 0.00 H new ATOM 0 HG11 VAL A 997 10.289 5.162 -7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 997 10.351 3.413 -7.046 1.00 0.00 H new ATOM 0 HG13 VAL A 997 10.674 4.029 -8.684 1.00 0.00 H new ATOM 0 HG21 VAL A 997 8.414 6.129 -8.654 1.00 0.00 H new ATOM 0 HG22 VAL A 997 8.722 5.035 -10.023 1.00 0.00 H new ATOM 0 HG23 VAL A 997 7.111 5.083 -9.267 1.00 0.00 H new ATOM 1281 N LYS A 998 6.429 1.862 -7.370 1.00 0.00 N ATOM 1282 CA LYS A 998 5.035 1.546 -7.083 1.00 0.00 C ATOM 1283 C LYS A 998 4.509 2.402 -5.936 1.00 0.00 C ATOM 1284 O LYS A 998 5.132 2.492 -4.877 1.00 0.00 O ATOM 1285 CB LYS A 998 4.889 0.063 -6.735 1.00 0.00 C ATOM 1286 CG LYS A 998 3.478 -0.331 -6.331 1.00 0.00 C ATOM 1287 CD LYS A 998 2.569 -0.468 -7.541 1.00 0.00 C ATOM 1288 CE LYS A 998 1.112 -0.610 -7.129 1.00 0.00 C ATOM 1289 NZ LYS A 998 0.750 -2.026 -6.848 1.00 0.00 N ATOM 0 H LYS A 998 7.075 1.646 -6.611 1.00 0.00 H new ATOM 0 HA LYS A 998 4.447 1.764 -7.975 1.00 0.00 H new ATOM 0 HB2 LYS A 998 5.192 -0.535 -7.595 1.00 0.00 H new ATOM 0 HB3 LYS A 998 5.572 -0.180 -5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 998 3.505 -1.275 -5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 998 3.071 0.418 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 998 2.683 0.405 -8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 998 2.869 -1.337 -8.127 1.00 0.00 H new ATOM 0 HE2 LYS A 998 0.925 -0.005 -6.242 1.00 0.00 H new ATOM 0 HE3 LYS A 998 0.471 -0.222 -7.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 998 -0.251 -2.080 -6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 998 0.904 -2.600 -7.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 998 1.343 -2.389 -6.075 1.00 0.00 H new ATOM 1303 N LEU A 999 3.357 3.028 -6.151 1.00 0.00 N ATOM 1304 CA LEU A 999 2.745 3.876 -5.134 1.00 0.00 C ATOM 1305 C LEU A 999 1.452 3.256 -4.614 1.00 0.00 C ATOM 1306 O LEU A 999 0.596 2.836 -5.392 1.00 0.00 O ATOM 1307 CB LEU A 999 2.463 5.267 -5.705 1.00 0.00 C ATOM 1308 CG LEU A 999 3.690 6.111 -6.052 1.00 0.00 C ATOM 1309 CD1 LEU A 999 3.290 7.313 -6.893 1.00 0.00 C ATOM 1310 CD2 LEU A 999 4.405 6.559 -4.786 1.00 0.00 C ATOM 0 H LEU A 999 2.828 2.964 -7.021 1.00 0.00 H new ATOM 0 HA LEU A 999 3.444 3.966 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 999 1.859 5.153 -6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 999 1.860 5.818 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 999 4.376 5.497 -6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 999 4.176 7.902 -7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 999 2.823 6.972 -7.817 1.00 0.00 H new ATOM 0 HD13 LEU A 999 2.584 7.928 -6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 999 5.276 7.158 -5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 999 3.726 7.156 -4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 999 4.726 5.684 -4.221 1.00 0.00 H new ATOM 1322 N VAL A1000 1.317 3.204 -3.292 1.00 0.00 N ATOM 1323 CA VAL A1000 0.127 2.638 -2.667 1.00 0.00 C ATOM 1324 C VAL A1000 -0.527 3.642 -1.724 1.00 0.00 C ATOM 1325 O VAL A1000 0.149 4.475 -1.120 1.00 0.00 O ATOM 1326 CB VAL A1000 0.461 1.356 -1.883 1.00 0.00 C ATOM 1327 CG1 VAL A1000 -0.800 0.753 -1.283 1.00 0.00 C ATOM 1328 CG2 VAL A1000 1.168 0.351 -2.781 1.00 0.00 C ATOM 0 H VAL A1000 2.017 3.547 -2.634 1.00 0.00 H new ATOM 0 HA VAL A1000 -0.567 2.392 -3.471 1.00 0.00 H new ATOM 0 HB VAL A1000 1.135 1.615 -1.066 1.00 0.00 H new ATOM 0 HG11 VAL A1000 -0.544 -0.152 -0.733 1.00 0.00 H new ATOM 0 HG12 VAL A1000 -1.260 1.472 -0.605 1.00 0.00 H new ATOM 0 HG13 VAL A1000 -1.501 0.507 -2.081 1.00 0.00 H new ATOM 0 HG21 VAL A1000 1.397 -0.549 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A1000 0.521 0.094 -3.620 1.00 0.00 H new ATOM 0 HG23 VAL A1000 2.094 0.787 -3.157 1.00 0.00 H new ATOM 1338 N LEU A1001 -1.847 3.555 -1.602 1.00 0.00 N ATOM 1339 CA LEU A1001 -2.595 4.456 -0.731 1.00 0.00 C ATOM 1340 C LEU A1001 -2.737 3.866 0.669 1.00 0.00 C ATOM 1341 O LEU A1001 -3.147 2.718 0.831 1.00 0.00 O ATOM 1342 CB LEU A1001 -3.978 4.736 -1.321 1.00 0.00 C ATOM 1343 CG LEU A1001 -4.044 5.831 -2.387 1.00 0.00 C ATOM 1344 CD1 LEU A1001 -5.327 5.712 -3.195 1.00 0.00 C ATOM 1345 CD2 LEU A1001 -3.942 7.207 -1.744 1.00 0.00 C ATOM 0 H LEU A1001 -2.421 2.871 -2.094 1.00 0.00 H new ATOM 0 HA LEU A1001 -2.042 5.392 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A1001 -4.360 3.812 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU A1001 -4.650 5.008 -0.507 1.00 0.00 H new ATOM 0 HG LEU A1001 -3.199 5.705 -3.064 1.00 0.00 H new ATOM 0 HD11 LEU A1001 -5.357 6.499 -3.949 1.00 0.00 H new ATOM 0 HD12 LEU A1001 -5.359 4.739 -3.685 1.00 0.00 H new ATOM 0 HD13 LEU A1001 -6.186 5.813 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A1001 -3.991 7.974 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A1001 -4.767 7.344 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A1001 -2.996 7.290 -1.210 1.00 0.00 H new ATOM 1357 N GLY A1002 -2.397 4.662 1.678 1.00 0.00 N ATOM 1358 CA GLY A1002 -2.495 4.203 3.051 1.00 0.00 C ATOM 1359 C GLY A1002 -3.917 3.858 3.446 1.00 0.00 C ATOM 1360 O GLY A1002 -4.167 2.806 4.034 1.00 0.00 O ATOM 0 H GLY A1002 -2.055 5.617 1.569 1.00 0.00 H new ATOM 0 HA2 GLY A1002 -1.861 3.326 3.184 1.00 0.00 H new ATOM 0 HA3 GLY A1002 -2.113 4.976 3.718 1.00 0.00 H new