USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=16 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 83:sc= -1.06 USER MOD Single : A 929 LYS NZ :NH3+ 140:sc= -1.72 (180deg=-4.34!) USER MOD Single : A 931 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.088) USER MOD Single : A 932 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.22) USER MOD Single : A 933 MET CE :methyl 180:sc= -2.18 (180deg=-2.18) USER MOD Single : A 936 THR OG1 : rot 180:sc= 0 USER MOD Single : A 938 SER OG : rot 8:sc= 0.0973 USER MOD Single : A 947 TYR OH : rot 180:sc= 0 USER MOD Single : A 949 TYR OH : rot 165:sc= -0.0414 USER MOD Single : A 950 GLN : amide:sc= -0.216 K(o=-0.22,f=-2.3!) USER MOD Single : A 955 SER OG : rot -97:sc= 0.18 USER MOD Single : A 957 CYS SG : rot 65:sc= 0.626 USER MOD Single : A 959 LYS NZ :NH3+ -157:sc= 0.507 (180deg=0.26) USER MOD Single : A 960 TYR OH : rot 180:sc= 0 USER MOD Single : A 961 ASN : amide:sc= -2.84! C(o=-2.8!,f=-16!) USER MOD Single : A 963 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 965 MET CE :methyl 157:sc= -0.39 (180deg=-1.57) USER MOD Single : A 967 THR OG1 : rot 180:sc= -0.079 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= 0.313 USER MOD Single : A 988 ASN : amide:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 994 SER OG : rot -40:sc= 0.13 USER MOD Single : A 996 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 998 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0341) USER MOD ----------------------------------------------------------------- ATOM 148 N PRO A 925 -3.586 12.738 8.032 1.00 0.00 N ATOM 149 CA PRO A 925 -3.295 12.891 6.604 1.00 0.00 C ATOM 150 C PRO A 925 -3.192 11.550 5.886 1.00 0.00 C ATOM 151 O PRO A 925 -3.269 10.491 6.510 1.00 0.00 O ATOM 152 CB PRO A 925 -1.943 13.609 6.592 1.00 0.00 C ATOM 153 CG PRO A 925 -1.311 13.247 7.892 1.00 0.00 C ATOM 154 CD PRO A 925 -2.438 13.109 8.877 1.00 0.00 C ATOM 0 HA PRO A 925 -4.085 13.432 6.083 1.00 0.00 H new ATOM 0 HB2 PRO A 925 -1.330 13.286 5.750 1.00 0.00 H new ATOM 0 HB3 PRO A 925 -2.068 14.688 6.499 1.00 0.00 H new ATOM 0 HG2 PRO A 925 -0.751 12.316 7.807 1.00 0.00 H new ATOM 0 HG3 PRO A 925 -0.606 14.015 8.211 1.00 0.00 H new ATOM 0 HD2 PRO A 925 -2.226 12.345 9.625 1.00 0.00 H new ATOM 0 HD3 PRO A 925 -2.619 14.040 9.414 1.00 0.00 H new ATOM 162 N THR A 926 -3.017 11.601 4.569 1.00 0.00 N ATOM 163 CA THR A 926 -2.904 10.390 3.765 1.00 0.00 C ATOM 164 C THR A 926 -1.447 9.967 3.610 1.00 0.00 C ATOM 165 O THR A 926 -0.606 10.755 3.176 1.00 0.00 O ATOM 166 CB THR A 926 -3.522 10.583 2.368 1.00 0.00 C ATOM 167 OG1 THR A 926 -4.861 11.076 2.489 1.00 0.00 O ATOM 168 CG2 THR A 926 -3.527 9.274 1.593 1.00 0.00 C ATOM 0 H THR A 926 -2.950 12.468 4.036 1.00 0.00 H new ATOM 0 HA THR A 926 -3.452 9.609 4.292 1.00 0.00 H new ATOM 0 HB THR A 926 -2.916 11.307 1.824 1.00 0.00 H new ATOM 0 HG1 THR A 926 -4.842 12.048 2.610 1.00 0.00 H new ATOM 0 HG21 THR A 926 -3.968 9.435 0.609 1.00 0.00 H new ATOM 0 HG22 THR A 926 -2.504 8.916 1.478 1.00 0.00 H new ATOM 0 HG23 THR A 926 -4.112 8.532 2.136 1.00 0.00 H new ATOM 176 N ILE A 927 -1.157 8.721 3.966 1.00 0.00 N ATOM 177 CA ILE A 927 0.199 8.194 3.864 1.00 0.00 C ATOM 178 C ILE A 927 0.354 7.313 2.629 1.00 0.00 C ATOM 179 O ILE A 927 -0.428 6.386 2.413 1.00 0.00 O ATOM 180 CB ILE A 927 0.582 7.379 5.113 1.00 0.00 C ATOM 181 CG1 ILE A 927 0.526 8.262 6.361 1.00 0.00 C ATOM 182 CG2 ILE A 927 1.968 6.775 4.947 1.00 0.00 C ATOM 183 CD1 ILE A 927 1.541 9.384 6.353 1.00 0.00 C ATOM 0 H ILE A 927 -1.842 8.057 4.328 1.00 0.00 H new ATOM 0 HA ILE A 927 0.866 9.052 3.782 1.00 0.00 H new ATOM 0 HB ILE A 927 -0.135 6.567 5.233 1.00 0.00 H new ATOM 0 HG12 ILE A 927 -0.473 8.688 6.451 1.00 0.00 H new ATOM 0 HG13 ILE A 927 0.689 7.642 7.243 1.00 0.00 H new ATOM 0 HG21 ILE A 927 2.224 6.202 5.838 1.00 0.00 H new ATOM 0 HG22 ILE A 927 1.977 6.117 4.078 1.00 0.00 H new ATOM 0 HG23 ILE A 927 2.698 7.572 4.806 1.00 0.00 H new ATOM 0 HD11 ILE A 927 1.444 9.969 7.268 1.00 0.00 H new ATOM 0 HD12 ILE A 927 2.546 8.965 6.295 1.00 0.00 H new ATOM 0 HD13 ILE A 927 1.366 10.027 5.491 1.00 0.00 H new ATOM 195 N ILE A 928 1.369 7.607 1.823 1.00 0.00 N ATOM 196 CA ILE A 928 1.628 6.839 0.611 1.00 0.00 C ATOM 197 C ILE A 928 2.861 5.957 0.773 1.00 0.00 C ATOM 198 O ILE A 928 3.817 6.325 1.457 1.00 0.00 O ATOM 199 CB ILE A 928 1.826 7.760 -0.607 1.00 0.00 C ATOM 200 CG1 ILE A 928 0.606 8.664 -0.795 1.00 0.00 C ATOM 201 CG2 ILE A 928 2.079 6.935 -1.860 1.00 0.00 C ATOM 202 CD1 ILE A 928 0.757 9.656 -1.927 1.00 0.00 C ATOM 0 H ILE A 928 2.025 8.371 1.987 1.00 0.00 H new ATOM 0 HA ILE A 928 0.754 6.210 0.442 1.00 0.00 H new ATOM 0 HB ILE A 928 2.697 8.390 -0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 928 -0.271 8.043 -0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 928 0.421 9.208 0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 928 2.217 7.601 -2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 928 2.976 6.331 -1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 928 1.226 6.282 -2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 928 -0.145 10.263 -2.002 1.00 0.00 H new ATOM 0 HD12 ILE A 928 1.614 10.302 -1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 928 0.912 9.119 -2.863 1.00 0.00 H new ATOM 214 N LYS A 929 2.835 4.790 0.137 1.00 0.00 N ATOM 215 CA LYS A 929 3.951 3.855 0.207 1.00 0.00 C ATOM 216 C LYS A 929 4.622 3.706 -1.155 1.00 0.00 C ATOM 217 O LYS A 929 3.956 3.475 -2.164 1.00 0.00 O ATOM 218 CB LYS A 929 3.469 2.489 0.702 1.00 0.00 C ATOM 219 CG LYS A 929 3.391 2.384 2.215 1.00 0.00 C ATOM 220 CD LYS A 929 2.050 2.868 2.740 1.00 0.00 C ATOM 221 CE LYS A 929 0.963 1.822 2.540 1.00 0.00 C ATOM 222 NZ LYS A 929 -0.169 2.011 3.490 1.00 0.00 N ATOM 0 H LYS A 929 2.052 4.470 -0.433 1.00 0.00 H new ATOM 0 HA LYS A 929 4.682 4.253 0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 929 2.484 2.286 0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 929 4.142 1.718 0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 929 3.549 1.349 2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 929 4.192 2.972 2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 929 2.137 3.106 3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 929 1.769 3.789 2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 929 0.591 1.875 1.517 1.00 0.00 H new ATOM 0 HE3 LYS A 929 1.387 0.827 2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 -1.068 1.838 2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 -0.073 1.343 4.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 -0.157 2.985 3.856 1.00 0.00 H new ATOM 236 N VAL A 930 5.945 3.838 -1.176 1.00 0.00 N ATOM 237 CA VAL A 930 6.706 3.716 -2.413 1.00 0.00 C ATOM 238 C VAL A 930 7.643 2.514 -2.365 1.00 0.00 C ATOM 239 O VAL A 930 8.430 2.366 -1.431 1.00 0.00 O ATOM 240 CB VAL A 930 7.531 4.986 -2.692 1.00 0.00 C ATOM 241 CG1 VAL A 930 8.142 4.931 -4.084 1.00 0.00 C ATOM 242 CG2 VAL A 930 6.669 6.228 -2.528 1.00 0.00 C ATOM 0 H VAL A 930 6.512 4.029 -0.350 1.00 0.00 H new ATOM 0 HA VAL A 930 5.983 3.578 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 930 8.343 5.037 -1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 930 8.721 5.837 -4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 930 8.795 4.062 -4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 930 7.348 4.855 -4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 930 7.268 7.116 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 930 5.835 6.187 -3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 930 6.285 6.272 -1.509 1.00 0.00 H new ATOM 252 N GLN A 931 7.552 1.659 -3.379 1.00 0.00 N ATOM 253 CA GLN A 931 8.393 0.470 -3.452 1.00 0.00 C ATOM 254 C GLN A 931 9.031 0.338 -4.830 1.00 0.00 C ATOM 255 O GLN A 931 8.708 1.090 -5.749 1.00 0.00 O ATOM 256 CB GLN A 931 7.571 -0.781 -3.136 1.00 0.00 C ATOM 257 CG GLN A 931 8.282 -1.760 -2.216 1.00 0.00 C ATOM 258 CD GLN A 931 7.439 -2.155 -1.020 1.00 0.00 C ATOM 259 OE1 GLN A 931 7.343 -3.334 -0.675 1.00 0.00 O ATOM 260 NE2 GLN A 931 6.822 -1.170 -0.379 1.00 0.00 N ATOM 0 H GLN A 931 6.905 1.767 -4.160 1.00 0.00 H new ATOM 0 HA GLN A 931 9.187 0.572 -2.713 1.00 0.00 H new ATOM 0 HB2 GLN A 931 6.630 -0.480 -2.675 1.00 0.00 H new ATOM 0 HB3 GLN A 931 7.322 -1.287 -4.069 1.00 0.00 H new ATOM 0 HG2 GLN A 931 8.548 -2.654 -2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 931 9.214 -1.314 -1.868 1.00 0.00 H new ATOM 0 HE21 GLN A 931 6.929 -0.207 -0.699 1.00 0.00 H new ATOM 0 HE22 GLN A 931 6.241 -1.376 0.434 1.00 0.00 H new ATOM 269 N ASN A 932 9.940 -0.622 -4.967 1.00 0.00 N ATOM 270 CA ASN A 932 10.625 -0.851 -6.234 1.00 0.00 C ATOM 271 C ASN A 932 11.481 0.353 -6.615 1.00 0.00 C ATOM 272 O ASN A 932 11.413 0.844 -7.742 1.00 0.00 O ATOM 273 CB ASN A 932 9.610 -1.141 -7.341 1.00 0.00 C ATOM 274 CG ASN A 932 10.182 -2.025 -8.433 1.00 0.00 C ATOM 275 OD1 ASN A 932 9.600 -3.050 -8.785 1.00 0.00 O ATOM 276 ND2 ASN A 932 11.329 -1.629 -8.973 1.00 0.00 N ATOM 0 H ASN A 932 10.219 -1.254 -4.216 1.00 0.00 H new ATOM 0 HA ASN A 932 11.278 -1.715 -6.114 1.00 0.00 H new ATOM 0 HB2 ASN A 932 8.733 -1.623 -6.909 1.00 0.00 H new ATOM 0 HB3 ASN A 932 9.274 -0.200 -7.777 1.00 0.00 H new ATOM 0 HD21 ASN A 932 11.763 -2.183 -9.712 1.00 0.00 H new ATOM 0 HD22 ASN A 932 11.776 -0.771 -8.649 1.00 0.00 H new ATOM 283 N MET A 933 12.286 0.824 -5.669 1.00 0.00 N ATOM 284 CA MET A 933 13.157 1.970 -5.906 1.00 0.00 C ATOM 285 C MET A 933 14.624 1.559 -5.845 1.00 0.00 C ATOM 286 O MET A 933 15.075 0.918 -4.896 1.00 0.00 O ATOM 287 CB MET A 933 12.879 3.070 -4.880 1.00 0.00 C ATOM 288 CG MET A 933 11.816 4.062 -5.325 1.00 0.00 C ATOM 289 SD MET A 933 11.745 5.522 -4.270 1.00 0.00 S ATOM 290 CE MET A 933 11.766 4.769 -2.646 1.00 0.00 C ATOM 0 H MET A 933 12.354 0.430 -4.731 1.00 0.00 H new ATOM 0 HA MET A 933 12.947 2.354 -6.904 1.00 0.00 H new ATOM 0 HB2 MET A 933 12.566 2.610 -3.943 1.00 0.00 H new ATOM 0 HB3 MET A 933 13.805 3.609 -4.677 1.00 0.00 H new ATOM 0 HG2 MET A 933 12.018 4.369 -6.351 1.00 0.00 H new ATOM 0 HG3 MET A 933 10.843 3.571 -5.325 1.00 0.00 H new ATOM 0 HE1 MET A 933 11.727 5.547 -1.884 1.00 0.00 H new ATOM 0 HE2 MET A 933 10.903 4.112 -2.539 1.00 0.00 H new ATOM 0 HE3 MET A 933 12.681 4.189 -2.526 1.00 0.00 H new ATOM 300 N PRO A 934 15.389 1.937 -6.880 1.00 0.00 N ATOM 301 CA PRO A 934 16.818 1.619 -6.966 1.00 0.00 C ATOM 302 C PRO A 934 17.646 2.392 -5.946 1.00 0.00 C ATOM 303 O PRO A 934 17.161 3.338 -5.326 1.00 0.00 O ATOM 304 CB PRO A 934 17.190 2.043 -8.389 1.00 0.00 C ATOM 305 CG PRO A 934 16.192 3.090 -8.746 1.00 0.00 C ATOM 306 CD PRO A 934 14.919 2.704 -8.046 1.00 0.00 C ATOM 0 HA PRO A 934 17.016 0.568 -6.754 1.00 0.00 H new ATOM 0 HB2 PRO A 934 18.207 2.434 -8.432 1.00 0.00 H new ATOM 0 HB3 PRO A 934 17.143 1.200 -9.078 1.00 0.00 H new ATOM 0 HG2 PRO A 934 16.530 4.076 -8.427 1.00 0.00 H new ATOM 0 HG3 PRO A 934 16.045 3.137 -9.825 1.00 0.00 H new ATOM 0 HD2 PRO A 934 14.344 3.580 -7.745 1.00 0.00 H new ATOM 0 HD3 PRO A 934 14.274 2.104 -8.688 1.00 0.00 H new ATOM 314 N PHE A 935 18.900 1.983 -5.777 1.00 0.00 N ATOM 315 CA PHE A 935 19.796 2.637 -4.831 1.00 0.00 C ATOM 316 C PHE A 935 20.094 4.070 -5.265 1.00 0.00 C ATOM 317 O PHE A 935 20.424 4.925 -4.442 1.00 0.00 O ATOM 318 CB PHE A 935 21.101 1.849 -4.704 1.00 0.00 C ATOM 319 CG PHE A 935 20.896 0.367 -4.577 1.00 0.00 C ATOM 320 CD1 PHE A 935 20.304 -0.170 -3.444 1.00 0.00 C ATOM 321 CD2 PHE A 935 21.295 -0.490 -5.589 1.00 0.00 C ATOM 322 CE1 PHE A 935 20.116 -1.533 -3.325 1.00 0.00 C ATOM 323 CE2 PHE A 935 21.108 -1.855 -5.476 1.00 0.00 C ATOM 324 CZ PHE A 935 20.517 -2.377 -4.342 1.00 0.00 C ATOM 0 H PHE A 935 19.318 1.202 -6.283 1.00 0.00 H new ATOM 0 HA PHE A 935 19.301 2.666 -3.860 1.00 0.00 H new ATOM 0 HB2 PHE A 935 21.723 2.048 -5.577 1.00 0.00 H new ATOM 0 HB3 PHE A 935 21.650 2.208 -3.833 1.00 0.00 H new ATOM 0 HD1 PHE A 935 19.986 0.485 -2.646 1.00 0.00 H new ATOM 0 HD2 PHE A 935 21.758 -0.087 -6.478 1.00 0.00 H new ATOM 0 HE1 PHE A 935 19.655 -1.939 -2.437 1.00 0.00 H new ATOM 0 HE2 PHE A 935 21.423 -2.512 -6.273 1.00 0.00 H new ATOM 0 HZ PHE A 935 20.369 -3.443 -4.251 1.00 0.00 H new ATOM 334 N THR A 936 19.975 4.325 -6.564 1.00 0.00 N ATOM 335 CA THR A 936 20.232 5.651 -7.109 1.00 0.00 C ATOM 336 C THR A 936 19.237 6.671 -6.568 1.00 0.00 C ATOM 337 O THR A 936 19.501 7.874 -6.571 1.00 0.00 O ATOM 338 CB THR A 936 20.162 5.650 -8.648 1.00 0.00 C ATOM 339 OG1 THR A 936 18.884 5.168 -9.080 1.00 0.00 O ATOM 340 CG2 THR A 936 21.263 4.783 -9.240 1.00 0.00 C ATOM 0 H THR A 936 19.702 3.630 -7.258 1.00 0.00 H new ATOM 0 HA THR A 936 21.239 5.929 -6.798 1.00 0.00 H new ATOM 0 HB THR A 936 20.301 6.673 -8.996 1.00 0.00 H new ATOM 0 HG1 THR A 936 18.847 5.172 -10.059 1.00 0.00 H new ATOM 0 HG21 THR A 936 21.193 4.798 -10.328 1.00 0.00 H new ATOM 0 HG22 THR A 936 22.235 5.170 -8.934 1.00 0.00 H new ATOM 0 HG23 THR A 936 21.151 3.759 -8.883 1.00 0.00 H new ATOM 348 N VAL A 937 18.092 6.184 -6.101 1.00 0.00 N ATOM 349 CA VAL A 937 17.057 7.053 -5.554 1.00 0.00 C ATOM 350 C VAL A 937 17.575 7.832 -4.350 1.00 0.00 C ATOM 351 O VAL A 937 18.299 7.293 -3.514 1.00 0.00 O ATOM 352 CB VAL A 937 15.812 6.249 -5.135 1.00 0.00 C ATOM 353 CG1 VAL A 937 14.789 7.157 -4.470 1.00 0.00 C ATOM 354 CG2 VAL A 937 15.207 5.541 -6.338 1.00 0.00 C ATOM 0 H VAL A 937 17.858 5.191 -6.091 1.00 0.00 H new ATOM 0 HA VAL A 937 16.780 7.751 -6.344 1.00 0.00 H new ATOM 0 HB VAL A 937 16.115 5.493 -4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 937 13.916 6.571 -4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 937 15.230 7.614 -3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 937 14.487 7.938 -5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 937 14.328 4.977 -6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 937 14.917 6.279 -7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 937 15.942 4.859 -6.766 1.00 0.00 H new ATOM 364 N SER A 938 17.197 9.104 -4.268 1.00 0.00 N ATOM 365 CA SER A 938 17.625 9.959 -3.167 1.00 0.00 C ATOM 366 C SER A 938 16.520 10.935 -2.775 1.00 0.00 C ATOM 367 O SER A 938 15.453 10.960 -3.390 1.00 0.00 O ATOM 368 CB SER A 938 18.888 10.730 -3.555 1.00 0.00 C ATOM 369 OG SER A 938 20.032 9.895 -3.502 1.00 0.00 O ATOM 0 H SER A 938 16.595 9.565 -4.951 1.00 0.00 H new ATOM 0 HA SER A 938 17.844 9.323 -2.309 1.00 0.00 H new ATOM 0 HB2 SER A 938 18.776 11.135 -4.561 1.00 0.00 H new ATOM 0 HB3 SER A 938 19.021 11.578 -2.883 1.00 0.00 H new ATOM 0 HG SER A 938 19.754 8.968 -3.349 1.00 0.00 H new ATOM 375 N ILE A 939 16.783 11.736 -1.749 1.00 0.00 N ATOM 376 CA ILE A 939 15.812 12.714 -1.275 1.00 0.00 C ATOM 377 C ILE A 939 15.474 13.726 -2.365 1.00 0.00 C ATOM 378 O ILE A 939 14.312 14.088 -2.552 1.00 0.00 O ATOM 379 CB ILE A 939 16.330 13.467 -0.035 1.00 0.00 C ATOM 380 CG1 ILE A 939 16.552 12.493 1.124 1.00 0.00 C ATOM 381 CG2 ILE A 939 15.353 14.562 0.366 1.00 0.00 C ATOM 382 CD1 ILE A 939 17.464 13.035 2.202 1.00 0.00 C ATOM 0 H ILE A 939 17.661 11.727 -1.230 1.00 0.00 H new ATOM 0 HA ILE A 939 14.913 12.160 -1.005 1.00 0.00 H new ATOM 0 HB ILE A 939 17.284 13.932 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 939 15.588 12.242 1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 939 16.974 11.567 0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 939 15.733 15.085 1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 939 15.240 15.268 -0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 939 14.385 14.118 0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 939 17.576 12.292 2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 939 18.441 13.259 1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 939 17.033 13.945 2.619 1.00 0.00 H new ATOM 394 N ASP A 940 16.496 14.176 -3.084 1.00 0.00 N ATOM 395 CA ASP A 940 16.308 15.144 -4.159 1.00 0.00 C ATOM 396 C ASP A 940 15.444 14.559 -5.272 1.00 0.00 C ATOM 397 O ASP A 940 14.520 15.209 -5.760 1.00 0.00 O ATOM 398 CB ASP A 940 17.661 15.582 -4.723 1.00 0.00 C ATOM 399 CG ASP A 940 18.515 16.293 -3.692 1.00 0.00 C ATOM 400 OD1 ASP A 940 17.943 16.881 -2.750 1.00 0.00 O ATOM 401 OD2 ASP A 940 19.756 16.261 -3.826 1.00 0.00 O ATOM 0 H ASP A 940 17.464 13.886 -2.942 1.00 0.00 H new ATOM 0 HA ASP A 940 15.797 16.014 -3.746 1.00 0.00 H new ATOM 0 HB2 ASP A 940 18.197 14.708 -5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 940 17.500 16.243 -5.575 1.00 0.00 H new ATOM 406 N GLU A 941 15.752 13.328 -5.668 1.00 0.00 N ATOM 407 CA GLU A 941 15.005 12.657 -6.725 1.00 0.00 C ATOM 408 C GLU A 941 13.547 12.461 -6.320 1.00 0.00 C ATOM 409 O GLU A 941 12.633 12.716 -7.105 1.00 0.00 O ATOM 410 CB GLU A 941 15.641 11.304 -7.051 1.00 0.00 C ATOM 411 CG GLU A 941 16.980 11.417 -7.762 1.00 0.00 C ATOM 412 CD GLU A 941 16.914 12.300 -8.993 1.00 0.00 C ATOM 413 OE1 GLU A 941 16.549 11.787 -10.071 1.00 0.00 O ATOM 414 OE2 GLU A 941 17.227 13.503 -8.878 1.00 0.00 O ATOM 0 H GLU A 941 16.513 12.776 -5.273 1.00 0.00 H new ATOM 0 HA GLU A 941 15.036 13.288 -7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 941 15.776 10.743 -6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 941 14.955 10.730 -7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 941 17.721 11.818 -7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 941 17.319 10.422 -8.051 1.00 0.00 H new ATOM 421 N ILE A 942 13.337 12.006 -5.089 1.00 0.00 N ATOM 422 CA ILE A 942 11.991 11.776 -4.579 1.00 0.00 C ATOM 423 C ILE A 942 11.181 13.067 -4.563 1.00 0.00 C ATOM 424 O ILE A 942 10.051 13.111 -5.053 1.00 0.00 O ATOM 425 CB ILE A 942 12.021 11.185 -3.157 1.00 0.00 C ATOM 426 CG1 ILE A 942 12.600 9.769 -3.182 1.00 0.00 C ATOM 427 CG2 ILE A 942 10.624 11.181 -2.555 1.00 0.00 C ATOM 428 CD1 ILE A 942 13.296 9.378 -1.896 1.00 0.00 C ATOM 0 H ILE A 942 14.082 11.789 -4.427 1.00 0.00 H new ATOM 0 HA ILE A 942 11.517 11.061 -5.251 1.00 0.00 H new ATOM 0 HB ILE A 942 12.662 11.809 -2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 942 11.796 9.060 -3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 942 13.307 9.689 -4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 942 10.662 10.760 -1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 942 10.246 12.202 -2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 942 9.962 10.578 -3.176 1.00 0.00 H new ATOM 0 HD11 ILE A 942 13.682 8.362 -1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 942 14.121 10.064 -1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 942 12.587 9.425 -1.070 1.00 0.00 H new ATOM 440 N LEU A 943 11.765 14.119 -4.000 1.00 0.00 N ATOM 441 CA LEU A 943 11.098 15.414 -3.922 1.00 0.00 C ATOM 442 C LEU A 943 10.743 15.928 -5.314 1.00 0.00 C ATOM 443 O LEU A 943 9.653 16.458 -5.530 1.00 0.00 O ATOM 444 CB LEU A 943 11.992 16.427 -3.205 1.00 0.00 C ATOM 445 CG LEU A 943 11.873 16.467 -1.681 1.00 0.00 C ATOM 446 CD1 LEU A 943 12.838 17.487 -1.097 1.00 0.00 C ATOM 447 CD2 LEU A 943 10.444 16.784 -1.266 1.00 0.00 C ATOM 0 H LEU A 943 12.699 14.101 -3.591 1.00 0.00 H new ATOM 0 HA LEU A 943 10.176 15.287 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 943 13.029 16.213 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 943 11.766 17.420 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 943 12.134 15.484 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 943 12.739 17.502 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 943 13.859 17.216 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 943 12.608 18.475 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 943 10.378 16.808 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 943 10.155 17.755 -1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 943 9.774 16.016 -1.653 1.00 0.00 H new ATOM 459 N ASP A 944 11.667 15.765 -6.253 1.00 0.00 N ATOM 460 CA ASP A 944 11.450 16.209 -7.625 1.00 0.00 C ATOM 461 C ASP A 944 10.443 15.309 -8.334 1.00 0.00 C ATOM 462 O ASP A 944 9.702 15.759 -9.209 1.00 0.00 O ATOM 463 CB ASP A 944 12.772 16.221 -8.395 1.00 0.00 C ATOM 464 CG ASP A 944 12.683 17.013 -9.684 1.00 0.00 C ATOM 465 OD1 ASP A 944 11.873 16.637 -10.556 1.00 0.00 O ATOM 466 OD2 ASP A 944 13.425 18.009 -9.822 1.00 0.00 O ATOM 0 H ASP A 944 12.574 15.328 -6.090 1.00 0.00 H new ATOM 0 HA ASP A 944 11.047 17.221 -7.594 1.00 0.00 H new ATOM 0 HB2 ASP A 944 13.553 16.646 -7.764 1.00 0.00 H new ATOM 0 HB3 ASP A 944 13.067 15.196 -8.621 1.00 0.00 H new ATOM 471 N PHE A 945 10.421 14.037 -7.952 1.00 0.00 N ATOM 472 CA PHE A 945 9.506 13.074 -8.552 1.00 0.00 C ATOM 473 C PHE A 945 8.056 13.427 -8.232 1.00 0.00 C ATOM 474 O PHE A 945 7.170 13.284 -9.074 1.00 0.00 O ATOM 475 CB PHE A 945 9.820 11.661 -8.055 1.00 0.00 C ATOM 476 CG PHE A 945 8.762 10.653 -8.405 1.00 0.00 C ATOM 477 CD1 PHE A 945 8.825 9.949 -9.596 1.00 0.00 C ATOM 478 CD2 PHE A 945 7.705 10.411 -7.542 1.00 0.00 C ATOM 479 CE1 PHE A 945 7.853 9.021 -9.921 1.00 0.00 C ATOM 480 CE2 PHE A 945 6.731 9.484 -7.861 1.00 0.00 C ATOM 481 CZ PHE A 945 6.805 8.789 -9.053 1.00 0.00 C ATOM 0 H PHE A 945 11.027 13.649 -7.229 1.00 0.00 H new ATOM 0 HA PHE A 945 9.640 13.110 -9.633 1.00 0.00 H new ATOM 0 HB2 PHE A 945 10.772 11.339 -8.478 1.00 0.00 H new ATOM 0 HB3 PHE A 945 9.944 11.685 -6.972 1.00 0.00 H new ATOM 0 HD1 PHE A 945 9.643 10.127 -10.279 1.00 0.00 H new ATOM 0 HD2 PHE A 945 7.642 10.953 -6.610 1.00 0.00 H new ATOM 0 HE1 PHE A 945 7.914 8.478 -10.853 1.00 0.00 H new ATOM 0 HE2 PHE A 945 5.913 9.303 -7.179 1.00 0.00 H new ATOM 0 HZ PHE A 945 6.044 8.065 -9.305 1.00 0.00 H new ATOM 491 N PHE A 946 7.823 13.891 -7.009 1.00 0.00 N ATOM 492 CA PHE A 946 6.482 14.264 -6.575 1.00 0.00 C ATOM 493 C PHE A 946 6.183 15.719 -6.922 1.00 0.00 C ATOM 494 O PHE A 946 5.190 16.287 -6.467 1.00 0.00 O ATOM 495 CB PHE A 946 6.331 14.046 -5.068 1.00 0.00 C ATOM 496 CG PHE A 946 5.895 12.655 -4.705 1.00 0.00 C ATOM 497 CD1 PHE A 946 4.578 12.260 -4.877 1.00 0.00 C ATOM 498 CD2 PHE A 946 6.802 11.743 -4.190 1.00 0.00 C ATOM 499 CE1 PHE A 946 4.173 10.981 -4.544 1.00 0.00 C ATOM 500 CE2 PHE A 946 6.403 10.463 -3.855 1.00 0.00 C ATOM 501 CZ PHE A 946 5.087 10.082 -4.031 1.00 0.00 C ATOM 0 H PHE A 946 8.546 14.018 -6.301 1.00 0.00 H new ATOM 0 HA PHE A 946 5.768 13.629 -7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 946 7.283 14.259 -4.581 1.00 0.00 H new ATOM 0 HB3 PHE A 946 5.606 14.759 -4.676 1.00 0.00 H new ATOM 0 HD1 PHE A 946 3.859 12.960 -5.276 1.00 0.00 H new ATOM 0 HD2 PHE A 946 7.832 12.036 -4.049 1.00 0.00 H new ATOM 0 HE1 PHE A 946 3.144 10.685 -4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 946 7.120 9.761 -3.456 1.00 0.00 H new ATOM 0 HZ PHE A 946 4.773 9.083 -3.768 1.00 0.00 H new ATOM 511 N TYR A 947 7.051 16.318 -7.731 1.00 0.00 N ATOM 512 CA TYR A 947 6.883 17.708 -8.137 1.00 0.00 C ATOM 513 C TYR A 947 5.450 17.975 -8.587 1.00 0.00 C ATOM 514 O TYR A 947 4.800 17.110 -9.172 1.00 0.00 O ATOM 515 CB TYR A 947 7.856 18.053 -9.266 1.00 0.00 C ATOM 516 CG TYR A 947 7.874 19.522 -9.623 1.00 0.00 C ATOM 517 CD1 TYR A 947 8.422 20.461 -8.758 1.00 0.00 C ATOM 518 CD2 TYR A 947 7.341 19.971 -10.825 1.00 0.00 C ATOM 519 CE1 TYR A 947 8.439 21.804 -9.080 1.00 0.00 C ATOM 520 CE2 TYR A 947 7.356 21.312 -11.156 1.00 0.00 C ATOM 521 CZ TYR A 947 7.906 22.225 -10.280 1.00 0.00 C ATOM 522 OH TYR A 947 7.921 23.562 -10.605 1.00 0.00 O ATOM 0 H TYR A 947 7.877 15.862 -8.118 1.00 0.00 H new ATOM 0 HA TYR A 947 7.098 18.340 -7.275 1.00 0.00 H new ATOM 0 HB2 TYR A 947 8.861 17.746 -8.975 1.00 0.00 H new ATOM 0 HB3 TYR A 947 7.591 17.476 -10.152 1.00 0.00 H new ATOM 0 HD1 TYR A 947 8.842 20.135 -7.818 1.00 0.00 H new ATOM 0 HD2 TYR A 947 6.908 19.259 -11.512 1.00 0.00 H new ATOM 0 HE1 TYR A 947 8.868 22.521 -8.395 1.00 0.00 H new ATOM 0 HE2 TYR A 947 6.939 21.644 -12.095 1.00 0.00 H new ATOM 0 HH TYR A 947 7.508 23.690 -11.485 1.00 0.00 H new ATOM 532 N GLY A 948 4.964 19.181 -8.310 1.00 0.00 N ATOM 533 CA GLY A 948 3.612 19.543 -8.693 1.00 0.00 C ATOM 534 C GLY A 948 2.631 19.420 -7.543 1.00 0.00 C ATOM 535 O GLY A 948 1.666 20.179 -7.458 1.00 0.00 O ATOM 0 H GLY A 948 5.483 19.914 -7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 948 3.605 20.568 -9.065 1.00 0.00 H new ATOM 0 HA3 GLY A 948 3.287 18.904 -9.514 1.00 0.00 H new ATOM 539 N TYR A 949 2.877 18.460 -6.658 1.00 0.00 N ATOM 540 CA TYR A 949 2.005 18.238 -5.511 1.00 0.00 C ATOM 541 C TYR A 949 2.635 18.788 -4.234 1.00 0.00 C ATOM 542 O TYR A 949 3.850 18.719 -4.050 1.00 0.00 O ATOM 543 CB TYR A 949 1.714 16.745 -5.347 1.00 0.00 C ATOM 544 CG TYR A 949 1.086 16.113 -6.568 1.00 0.00 C ATOM 545 CD1 TYR A 949 -0.287 16.171 -6.776 1.00 0.00 C ATOM 546 CD2 TYR A 949 1.864 15.458 -7.514 1.00 0.00 C ATOM 547 CE1 TYR A 949 -0.865 15.595 -7.891 1.00 0.00 C ATOM 548 CE2 TYR A 949 1.295 14.880 -8.632 1.00 0.00 C ATOM 549 CZ TYR A 949 -0.071 14.951 -8.816 1.00 0.00 C ATOM 550 OH TYR A 949 -0.642 14.375 -9.927 1.00 0.00 O ATOM 0 H TYR A 949 3.672 17.824 -6.713 1.00 0.00 H new ATOM 0 HA TYR A 949 1.069 18.767 -5.690 1.00 0.00 H new ATOM 0 HB2 TYR A 949 2.644 16.225 -5.117 1.00 0.00 H new ATOM 0 HB3 TYR A 949 1.051 16.604 -4.494 1.00 0.00 H new ATOM 0 HD1 TYR A 949 -0.913 16.675 -6.054 1.00 0.00 H new ATOM 0 HD2 TYR A 949 2.933 15.400 -7.373 1.00 0.00 H new ATOM 0 HE1 TYR A 949 -1.934 15.649 -8.037 1.00 0.00 H new ATOM 0 HE2 TYR A 949 1.915 14.375 -9.358 1.00 0.00 H new ATOM 0 HH TYR A 949 0.055 14.177 -10.587 1.00 0.00 H new ATOM 560 N GLN A 950 1.798 19.332 -3.357 1.00 0.00 N ATOM 561 CA GLN A 950 2.272 19.894 -2.097 1.00 0.00 C ATOM 562 C GLN A 950 2.655 18.789 -1.118 1.00 0.00 C ATOM 563 O GLN A 950 1.841 18.359 -0.301 1.00 0.00 O ATOM 564 CB GLN A 950 1.198 20.790 -1.478 1.00 0.00 C ATOM 565 CG GLN A 950 -0.221 20.318 -1.753 1.00 0.00 C ATOM 566 CD GLN A 950 -1.191 20.713 -0.657 1.00 0.00 C ATOM 567 OE1 GLN A 950 -0.804 21.328 0.337 1.00 0.00 O ATOM 568 NE2 GLN A 950 -2.459 20.361 -0.833 1.00 0.00 N ATOM 0 H GLN A 950 0.789 19.396 -3.495 1.00 0.00 H new ATOM 0 HA GLN A 950 3.159 20.493 -2.306 1.00 0.00 H new ATOM 0 HB2 GLN A 950 1.354 20.838 -0.400 1.00 0.00 H new ATOM 0 HB3 GLN A 950 1.316 21.803 -1.862 1.00 0.00 H new ATOM 0 HG2 GLN A 950 -0.561 20.735 -2.701 1.00 0.00 H new ATOM 0 HG3 GLN A 950 -0.224 19.233 -1.862 1.00 0.00 H new ATOM 0 HE21 GLN A 950 -2.735 19.852 -1.673 1.00 0.00 H new ATOM 0 HE22 GLN A 950 -3.157 20.600 -0.129 1.00 0.00 H new ATOM 577 N VAL A 951 3.900 18.332 -1.207 1.00 0.00 N ATOM 578 CA VAL A 951 4.392 17.278 -0.328 1.00 0.00 C ATOM 579 C VAL A 951 4.719 17.824 1.057 1.00 0.00 C ATOM 580 O VAL A 951 5.467 18.793 1.193 1.00 0.00 O ATOM 581 CB VAL A 951 5.648 16.602 -0.911 1.00 0.00 C ATOM 582 CG1 VAL A 951 6.216 15.591 0.074 1.00 0.00 C ATOM 583 CG2 VAL A 951 5.327 15.940 -2.242 1.00 0.00 C ATOM 0 H VAL A 951 4.586 18.675 -1.879 1.00 0.00 H new ATOM 0 HA VAL A 951 3.595 16.539 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 951 6.404 17.368 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 951 7.102 15.124 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 951 6.485 16.098 1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 951 5.468 14.826 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 951 6.225 15.468 -2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 951 4.554 15.185 -2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 951 4.971 16.692 -2.946 1.00 0.00 H new ATOM 593 N ILE A 952 4.154 17.196 2.083 1.00 0.00 N ATOM 594 CA ILE A 952 4.387 17.619 3.458 1.00 0.00 C ATOM 595 C ILE A 952 5.877 17.648 3.780 1.00 0.00 C ATOM 596 O ILE A 952 6.619 16.710 3.488 1.00 0.00 O ATOM 597 CB ILE A 952 3.675 16.691 4.460 1.00 0.00 C ATOM 598 CG1 ILE A 952 2.164 16.704 4.217 1.00 0.00 C ATOM 599 CG2 ILE A 952 3.991 17.111 5.888 1.00 0.00 C ATOM 600 CD1 ILE A 952 1.392 15.810 5.162 1.00 0.00 C ATOM 0 H ILE A 952 3.532 16.393 1.988 1.00 0.00 H new ATOM 0 HA ILE A 952 3.978 18.625 3.552 1.00 0.00 H new ATOM 0 HB ILE A 952 4.039 15.674 4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 952 1.797 17.726 4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 952 1.966 16.392 3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 952 3.481 16.446 6.584 1.00 0.00 H new ATOM 0 HG22 ILE A 952 5.067 17.054 6.054 1.00 0.00 H new ATOM 0 HG23 ILE A 952 3.652 18.134 6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 952 0.328 15.869 4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 952 1.731 14.780 5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 952 1.559 16.135 6.189 1.00 0.00 H new ATOM 612 N PRO A 953 6.327 18.750 4.398 1.00 0.00 N ATOM 613 CA PRO A 953 7.733 18.928 4.775 1.00 0.00 C ATOM 614 C PRO A 953 8.149 18.001 5.912 1.00 0.00 C ATOM 615 O PRO A 953 7.452 17.886 6.919 1.00 0.00 O ATOM 616 CB PRO A 953 7.797 20.389 5.225 1.00 0.00 C ATOM 617 CG PRO A 953 6.410 20.713 5.661 1.00 0.00 C ATOM 618 CD PRO A 953 5.499 19.908 4.776 1.00 0.00 C ATOM 0 HA PRO A 953 8.409 18.691 3.953 1.00 0.00 H new ATOM 0 HB2 PRO A 953 8.509 20.521 6.040 1.00 0.00 H new ATOM 0 HB3 PRO A 953 8.118 21.040 4.412 1.00 0.00 H new ATOM 0 HG2 PRO A 953 6.261 20.457 6.710 1.00 0.00 H new ATOM 0 HG3 PRO A 953 6.209 21.780 5.561 1.00 0.00 H new ATOM 0 HD2 PRO A 953 4.595 19.601 5.303 1.00 0.00 H new ATOM 0 HD3 PRO A 953 5.181 20.477 3.902 1.00 0.00 H new ATOM 626 N GLY A 954 9.292 17.341 5.744 1.00 0.00 N ATOM 627 CA GLY A 954 9.781 16.434 6.765 1.00 0.00 C ATOM 628 C GLY A 954 9.036 15.114 6.772 1.00 0.00 C ATOM 629 O GLY A 954 9.223 14.292 7.670 1.00 0.00 O ATOM 0 H GLY A 954 9.887 17.419 4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 954 10.843 16.248 6.603 1.00 0.00 H new ATOM 0 HA3 GLY A 954 9.686 16.907 7.743 1.00 0.00 H new ATOM 633 N SER A 955 8.187 14.909 5.770 1.00 0.00 N ATOM 634 CA SER A 955 7.406 13.682 5.668 1.00 0.00 C ATOM 635 C SER A 955 8.232 12.564 5.039 1.00 0.00 C ATOM 636 O SER A 955 8.458 11.522 5.654 1.00 0.00 O ATOM 637 CB SER A 955 6.141 13.924 4.842 1.00 0.00 C ATOM 638 OG SER A 955 6.431 13.926 3.455 1.00 0.00 O ATOM 0 H SER A 955 8.023 15.577 5.017 1.00 0.00 H new ATOM 0 HA SER A 955 7.120 13.377 6.675 1.00 0.00 H new ATOM 0 HB2 SER A 955 5.406 13.150 5.062 1.00 0.00 H new ATOM 0 HB3 SER A 955 5.695 14.877 5.125 1.00 0.00 H new ATOM 0 HG SER A 955 6.542 14.849 3.145 1.00 0.00 H new ATOM 644 N VAL A 956 8.680 12.789 3.808 1.00 0.00 N ATOM 645 CA VAL A 956 9.482 11.802 3.094 1.00 0.00 C ATOM 646 C VAL A 956 10.393 11.040 4.049 1.00 0.00 C ATOM 647 O VAL A 956 11.331 11.606 4.613 1.00 0.00 O ATOM 648 CB VAL A 956 10.340 12.462 1.999 1.00 0.00 C ATOM 649 CG1 VAL A 956 11.236 11.431 1.328 1.00 0.00 C ATOM 650 CG2 VAL A 956 9.455 13.158 0.976 1.00 0.00 C ATOM 0 H VAL A 956 8.501 13.646 3.284 1.00 0.00 H new ATOM 0 HA VAL A 956 8.785 11.105 2.628 1.00 0.00 H new ATOM 0 HB VAL A 956 10.977 13.213 2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 956 11.835 11.916 0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 956 11.895 10.983 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 956 10.620 10.654 0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 956 10.078 13.619 0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 956 8.791 12.428 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 956 8.861 13.926 1.471 1.00 0.00 H new ATOM 660 N CYS A 957 10.113 9.753 4.226 1.00 0.00 N ATOM 661 CA CYS A 957 10.908 8.912 5.113 1.00 0.00 C ATOM 662 C CYS A 957 11.442 7.691 4.372 1.00 0.00 C ATOM 663 O CYS A 957 10.679 6.937 3.766 1.00 0.00 O ATOM 664 CB CYS A 957 10.072 8.470 6.315 1.00 0.00 C ATOM 665 SG CYS A 957 9.983 9.694 7.643 1.00 0.00 S ATOM 0 H CYS A 957 9.341 9.270 3.767 1.00 0.00 H new ATOM 0 HA CYS A 957 11.756 9.499 5.466 1.00 0.00 H new ATOM 0 HB2 CYS A 957 9.061 8.243 5.977 1.00 0.00 H new ATOM 0 HB3 CYS A 957 10.490 7.546 6.715 1.00 0.00 H new ATOM 0 HG CYS A 957 9.358 10.751 7.217 1.00 0.00 H new ATOM 671 N LEU A 958 12.756 7.502 4.422 1.00 0.00 N ATOM 672 CA LEU A 958 13.392 6.373 3.753 1.00 0.00 C ATOM 673 C LEU A 958 13.447 5.156 4.672 1.00 0.00 C ATOM 674 O LEU A 958 13.589 5.289 5.888 1.00 0.00 O ATOM 675 CB LEU A 958 14.805 6.751 3.304 1.00 0.00 C ATOM 676 CG LEU A 958 14.898 7.743 2.145 1.00 0.00 C ATOM 677 CD1 LEU A 958 16.292 8.346 2.069 1.00 0.00 C ATOM 678 CD2 LEU A 958 14.536 7.065 0.832 1.00 0.00 C ATOM 0 H LEU A 958 13.401 8.116 4.919 1.00 0.00 H new ATOM 0 HA LEU A 958 12.795 6.118 2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 958 15.336 7.171 4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 958 15.330 5.839 3.019 1.00 0.00 H new ATOM 0 HG LEU A 958 14.185 8.548 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 958 16.339 9.050 1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 958 16.514 8.868 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 958 17.024 7.553 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 958 14.608 7.786 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 958 15.224 6.240 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 958 13.517 6.682 0.889 1.00 0.00 H new ATOM 690 N LYS A 959 13.334 3.971 4.083 1.00 0.00 N ATOM 691 CA LYS A 959 13.374 2.729 4.847 1.00 0.00 C ATOM 692 C LYS A 959 14.751 2.080 4.758 1.00 0.00 C ATOM 693 O LYS A 959 15.344 2.003 3.681 1.00 0.00 O ATOM 694 CB LYS A 959 12.307 1.759 4.337 1.00 0.00 C ATOM 695 CG LYS A 959 11.912 0.701 5.353 1.00 0.00 C ATOM 696 CD LYS A 959 10.472 0.254 5.163 1.00 0.00 C ATOM 697 CE LYS A 959 9.494 1.268 5.736 1.00 0.00 C ATOM 698 NZ LYS A 959 8.079 0.853 5.527 1.00 0.00 N ATOM 0 H LYS A 959 13.214 3.844 3.078 1.00 0.00 H new ATOM 0 HA LYS A 959 13.171 2.967 5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 959 11.420 2.325 4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 959 12.676 1.267 3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 959 12.576 -0.159 5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 959 12.041 1.097 6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 959 10.271 0.113 4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 959 10.323 -0.711 5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 959 9.682 1.392 6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 959 9.661 2.238 5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 7.463 1.690 5.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 7.986 0.391 4.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 7.798 0.187 6.275 1.00 0.00 H new ATOM 712 N TYR A 960 15.255 1.613 5.895 1.00 0.00 N ATOM 713 CA TYR A 960 16.563 0.970 5.945 1.00 0.00 C ATOM 714 C TYR A 960 16.479 -0.381 6.648 1.00 0.00 C ATOM 715 O TYR A 960 15.533 -0.652 7.386 1.00 0.00 O ATOM 716 CB TYR A 960 17.569 1.870 6.663 1.00 0.00 C ATOM 717 CG TYR A 960 17.736 3.228 6.018 1.00 0.00 C ATOM 718 CD1 TYR A 960 18.473 3.377 4.850 1.00 0.00 C ATOM 719 CD2 TYR A 960 17.157 4.360 6.577 1.00 0.00 C ATOM 720 CE1 TYR A 960 18.629 4.615 4.257 1.00 0.00 C ATOM 721 CE2 TYR A 960 17.306 5.602 5.990 1.00 0.00 C ATOM 722 CZ TYR A 960 18.043 5.725 4.831 1.00 0.00 C ATOM 723 OH TYR A 960 18.195 6.960 4.244 1.00 0.00 O ATOM 0 H TYR A 960 14.778 1.668 6.795 1.00 0.00 H new ATOM 0 HA TYR A 960 16.899 0.806 4.921 1.00 0.00 H new ATOM 0 HB2 TYR A 960 17.250 2.005 7.697 1.00 0.00 H new ATOM 0 HB3 TYR A 960 18.537 1.369 6.691 1.00 0.00 H new ATOM 0 HD1 TYR A 960 18.932 2.510 4.398 1.00 0.00 H new ATOM 0 HD2 TYR A 960 16.581 4.268 7.486 1.00 0.00 H new ATOM 0 HE1 TYR A 960 19.206 4.714 3.350 1.00 0.00 H new ATOM 0 HE2 TYR A 960 16.848 6.472 6.437 1.00 0.00 H new ATOM 0 HH TYR A 960 17.720 7.634 4.773 1.00 0.00 H new ATOM 733 N ASN A 961 17.479 -1.225 6.414 1.00 0.00 N ATOM 734 CA ASN A 961 17.520 -2.549 7.025 1.00 0.00 C ATOM 735 C ASN A 961 18.428 -2.555 8.251 1.00 0.00 C ATOM 736 O ASN A 961 18.970 -1.520 8.639 1.00 0.00 O ATOM 737 CB ASN A 961 18.007 -3.586 6.011 1.00 0.00 C ATOM 738 CG ASN A 961 19.428 -3.323 5.552 1.00 0.00 C ATOM 739 OD1 ASN A 961 19.981 -2.249 5.790 1.00 0.00 O ATOM 740 ND2 ASN A 961 20.027 -4.306 4.889 1.00 0.00 N ATOM 0 H ASN A 961 18.271 -1.016 5.806 1.00 0.00 H new ATOM 0 HA ASN A 961 16.510 -2.807 7.342 1.00 0.00 H new ATOM 0 HB2 ASN A 961 17.950 -4.580 6.456 1.00 0.00 H new ATOM 0 HB3 ASN A 961 17.343 -3.585 5.147 1.00 0.00 H new ATOM 0 HD21 ASN A 961 20.983 -4.187 4.555 1.00 0.00 H new ATOM 0 HD22 ASN A 961 19.531 -5.180 4.714 1.00 0.00 H new ATOM 747 N GLU A 962 18.590 -3.727 8.855 1.00 0.00 N ATOM 748 CA GLU A 962 19.432 -3.867 10.037 1.00 0.00 C ATOM 749 C GLU A 962 20.818 -3.276 9.791 1.00 0.00 C ATOM 750 O GLU A 962 21.384 -2.609 10.658 1.00 0.00 O ATOM 751 CB GLU A 962 19.557 -5.340 10.431 1.00 0.00 C ATOM 752 CG GLU A 962 20.234 -6.197 9.375 1.00 0.00 C ATOM 753 CD GLU A 962 20.001 -7.680 9.589 1.00 0.00 C ATOM 754 OE1 GLU A 962 18.831 -8.077 9.773 1.00 0.00 O ATOM 755 OE2 GLU A 962 20.989 -8.444 9.573 1.00 0.00 O ATOM 0 H GLU A 962 18.150 -4.593 8.546 1.00 0.00 H new ATOM 0 HA GLU A 962 18.961 -3.319 10.853 1.00 0.00 H new ATOM 0 HB2 GLU A 962 20.120 -5.412 11.361 1.00 0.00 H new ATOM 0 HB3 GLU A 962 18.563 -5.740 10.629 1.00 0.00 H new ATOM 0 HG2 GLU A 962 19.863 -5.913 8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 962 21.305 -5.997 9.382 1.00 0.00 H new ATOM 762 N LYS A 963 21.358 -3.525 8.603 1.00 0.00 N ATOM 763 CA LYS A 963 22.676 -3.019 8.240 1.00 0.00 C ATOM 764 C LYS A 963 22.661 -1.498 8.123 1.00 0.00 C ATOM 765 O LYS A 963 23.648 -0.832 8.434 1.00 0.00 O ATOM 766 CB LYS A 963 23.137 -3.638 6.919 1.00 0.00 C ATOM 767 CG LYS A 963 23.337 -5.142 6.989 1.00 0.00 C ATOM 768 CD LYS A 963 24.278 -5.632 5.901 1.00 0.00 C ATOM 769 CE LYS A 963 24.126 -7.127 5.665 1.00 0.00 C ATOM 770 NZ LYS A 963 25.399 -7.746 5.200 1.00 0.00 N ATOM 0 H LYS A 963 20.903 -4.075 7.875 1.00 0.00 H new ATOM 0 HA LYS A 963 23.375 -3.299 9.028 1.00 0.00 H new ATOM 0 HB2 LYS A 963 22.402 -3.413 6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 963 24.073 -3.169 6.615 1.00 0.00 H new ATOM 0 HG2 LYS A 963 23.738 -5.411 7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 963 22.374 -5.643 6.891 1.00 0.00 H new ATOM 0 HD2 LYS A 963 24.077 -5.094 4.975 1.00 0.00 H new ATOM 0 HD3 LYS A 963 25.308 -5.410 6.181 1.00 0.00 H new ATOM 0 HE2 LYS A 963 23.803 -7.610 6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 963 23.346 -7.301 4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 963 25.255 -8.765 5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 963 25.694 -7.303 4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 963 26.137 -7.603 5.918 1.00 0.00 H new ATOM 784 N GLY A 964 21.534 -0.955 7.673 1.00 0.00 N ATOM 785 CA GLY A 964 21.412 0.484 7.525 1.00 0.00 C ATOM 786 C GLY A 964 21.288 0.908 6.075 1.00 0.00 C ATOM 787 O GLY A 964 21.155 2.095 5.778 1.00 0.00 O ATOM 0 H GLY A 964 20.704 -1.485 7.408 1.00 0.00 H new ATOM 0 HA2 GLY A 964 20.539 0.830 8.078 1.00 0.00 H new ATOM 0 HA3 GLY A 964 22.283 0.967 7.969 1.00 0.00 H new ATOM 791 N MET A 965 21.335 -0.063 5.169 1.00 0.00 N ATOM 792 CA MET A 965 21.228 0.217 3.742 1.00 0.00 C ATOM 793 C MET A 965 19.771 0.421 3.336 1.00 0.00 C ATOM 794 O MET A 965 18.850 -0.117 3.949 1.00 0.00 O ATOM 795 CB MET A 965 21.840 -0.925 2.929 1.00 0.00 C ATOM 796 CG MET A 965 20.890 -2.090 2.705 1.00 0.00 C ATOM 797 SD MET A 965 21.619 -3.398 1.701 1.00 0.00 S ATOM 798 CE MET A 965 23.168 -3.662 2.561 1.00 0.00 C ATOM 0 H MET A 965 21.446 -1.051 5.398 1.00 0.00 H new ATOM 0 HA MET A 965 21.777 1.136 3.535 1.00 0.00 H new ATOM 0 HB2 MET A 965 22.163 -0.539 1.962 1.00 0.00 H new ATOM 0 HB3 MET A 965 22.731 -1.287 3.441 1.00 0.00 H new ATOM 0 HG2 MET A 965 20.592 -2.501 3.669 1.00 0.00 H new ATOM 0 HG3 MET A 965 19.984 -1.727 2.220 1.00 0.00 H new ATOM 0 HE1 MET A 965 23.539 -4.664 2.344 1.00 0.00 H new ATOM 0 HE2 MET A 965 23.899 -2.925 2.229 1.00 0.00 H new ATOM 0 HE3 MET A 965 23.010 -3.558 3.635 1.00 0.00 H new ATOM 808 N PRO A 966 19.557 1.218 2.279 1.00 0.00 N ATOM 809 CA PRO A 966 18.215 1.511 1.768 1.00 0.00 C ATOM 810 C PRO A 966 17.568 0.298 1.109 1.00 0.00 C ATOM 811 O PRO A 966 18.193 -0.392 0.303 1.00 0.00 O ATOM 812 CB PRO A 966 18.462 2.613 0.734 1.00 0.00 C ATOM 813 CG PRO A 966 19.872 2.413 0.297 1.00 0.00 C ATOM 814 CD PRO A 966 20.609 1.893 1.500 1.00 0.00 C ATOM 0 HA PRO A 966 17.530 1.801 2.565 1.00 0.00 H new ATOM 0 HB2 PRO A 966 17.772 2.530 -0.106 1.00 0.00 H new ATOM 0 HB3 PRO A 966 18.319 3.603 1.168 1.00 0.00 H new ATOM 0 HG2 PRO A 966 19.927 1.706 -0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 966 20.308 3.348 -0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 966 21.404 1.204 1.217 1.00 0.00 H new ATOM 0 HD3 PRO A 966 21.073 2.700 2.067 1.00 0.00 H new ATOM 822 N THR A 967 16.310 0.043 1.455 1.00 0.00 N ATOM 823 CA THR A 967 15.578 -1.088 0.898 1.00 0.00 C ATOM 824 C THR A 967 14.736 -0.661 -0.300 1.00 0.00 C ATOM 825 O THR A 967 13.763 -1.325 -0.655 1.00 0.00 O ATOM 826 CB THR A 967 14.660 -1.737 1.951 1.00 0.00 C ATOM 827 OG1 THR A 967 13.913 -0.728 2.639 1.00 0.00 O ATOM 828 CG2 THR A 967 15.473 -2.545 2.951 1.00 0.00 C ATOM 0 H THR A 967 15.777 0.605 2.119 1.00 0.00 H new ATOM 0 HA THR A 967 16.321 -1.818 0.576 1.00 0.00 H new ATOM 0 HB THR A 967 13.972 -2.409 1.438 1.00 0.00 H new ATOM 0 HG1 THR A 967 13.331 -1.149 3.305 1.00 0.00 H new ATOM 0 HG21 THR A 967 14.804 -2.994 3.685 1.00 0.00 H new ATOM 0 HG22 THR A 967 16.017 -3.331 2.427 1.00 0.00 H new ATOM 0 HG23 THR A 967 16.181 -1.890 3.458 1.00 0.00 H new ATOM 836 N GLY A 968 15.117 0.452 -0.919 1.00 0.00 N ATOM 837 CA GLY A 968 14.386 0.948 -2.070 1.00 0.00 C ATOM 838 C GLY A 968 12.931 1.233 -1.755 1.00 0.00 C ATOM 839 O GLY A 968 12.049 0.967 -2.571 1.00 0.00 O ATOM 0 H GLY A 968 15.919 1.019 -0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 968 14.861 1.859 -2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 968 14.443 0.216 -2.876 1.00 0.00 H new ATOM 843 N GLU A 969 12.680 1.774 -0.567 1.00 0.00 N ATOM 844 CA GLU A 969 11.321 2.092 -0.145 1.00 0.00 C ATOM 845 C GLU A 969 11.275 3.438 0.572 1.00 0.00 C ATOM 846 O GLU A 969 12.212 3.809 1.278 1.00 0.00 O ATOM 847 CB GLU A 969 10.777 0.994 0.771 1.00 0.00 C ATOM 848 CG GLU A 969 10.282 -0.233 0.024 1.00 0.00 C ATOM 849 CD GLU A 969 10.421 -1.506 0.836 1.00 0.00 C ATOM 850 OE1 GLU A 969 9.761 -1.611 1.892 1.00 0.00 O ATOM 851 OE2 GLU A 969 11.189 -2.397 0.417 1.00 0.00 O ATOM 0 H GLU A 969 13.399 2.001 0.120 1.00 0.00 H new ATOM 0 HA GLU A 969 10.696 2.153 -1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 969 11.559 0.693 1.468 1.00 0.00 H new ATOM 0 HB3 GLU A 969 9.959 1.401 1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 969 9.236 -0.091 -0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 969 10.840 -0.337 -0.906 1.00 0.00 H new ATOM 858 N ALA A 970 10.178 4.164 0.385 1.00 0.00 N ATOM 859 CA ALA A 970 10.008 5.468 1.015 1.00 0.00 C ATOM 860 C ALA A 970 8.541 5.738 1.332 1.00 0.00 C ATOM 861 O ALA A 970 7.650 5.321 0.593 1.00 0.00 O ATOM 862 CB ALA A 970 10.566 6.564 0.118 1.00 0.00 C ATOM 0 H ALA A 970 9.394 3.872 -0.198 1.00 0.00 H new ATOM 0 HA ALA A 970 10.561 5.465 1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 970 10.432 7.532 0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 970 11.628 6.388 -0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 970 10.038 6.558 -0.835 1.00 0.00 H new ATOM 868 N MET A 971 8.298 6.436 2.436 1.00 0.00 N ATOM 869 CA MET A 971 6.938 6.761 2.850 1.00 0.00 C ATOM 870 C MET A 971 6.735 8.272 2.911 1.00 0.00 C ATOM 871 O MET A 971 7.607 9.008 3.374 1.00 0.00 O ATOM 872 CB MET A 971 6.635 6.139 4.215 1.00 0.00 C ATOM 873 CG MET A 971 6.148 4.702 4.133 1.00 0.00 C ATOM 874 SD MET A 971 6.299 3.826 5.702 1.00 0.00 S ATOM 875 CE MET A 971 4.850 4.427 6.566 1.00 0.00 C ATOM 0 H MET A 971 9.024 6.787 3.060 1.00 0.00 H new ATOM 0 HA MET A 971 6.251 6.349 2.110 1.00 0.00 H new ATOM 0 HB2 MET A 971 7.535 6.175 4.829 1.00 0.00 H new ATOM 0 HB3 MET A 971 5.880 6.742 4.720 1.00 0.00 H new ATOM 0 HG2 MET A 971 5.105 4.694 3.816 1.00 0.00 H new ATOM 0 HG3 MET A 971 6.718 4.172 3.369 1.00 0.00 H new ATOM 0 HE1 MET A 971 4.803 3.974 7.557 1.00 0.00 H new ATOM 0 HE2 MET A 971 4.909 5.511 6.665 1.00 0.00 H new ATOM 0 HE3 MET A 971 3.955 4.162 6.003 1.00 0.00 H new ATOM 885 N VAL A 972 5.579 8.728 2.440 1.00 0.00 N ATOM 886 CA VAL A 972 5.261 10.151 2.442 1.00 0.00 C ATOM 887 C VAL A 972 3.839 10.397 2.935 1.00 0.00 C ATOM 888 O VAL A 972 3.020 9.479 2.979 1.00 0.00 O ATOM 889 CB VAL A 972 5.418 10.763 1.037 1.00 0.00 C ATOM 890 CG1 VAL A 972 6.870 10.704 0.588 1.00 0.00 C ATOM 891 CG2 VAL A 972 4.514 10.050 0.042 1.00 0.00 C ATOM 0 H VAL A 972 4.847 8.133 2.052 1.00 0.00 H new ATOM 0 HA VAL A 972 5.966 10.631 3.121 1.00 0.00 H new ATOM 0 HB VAL A 972 5.119 11.810 1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 972 6.961 11.141 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 972 7.490 11.263 1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 972 7.200 9.666 0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 972 4.637 10.495 -0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 972 4.781 8.994 0.000 1.00 0.00 H new ATOM 0 HG23 VAL A 972 3.475 10.150 0.358 1.00 0.00 H new ATOM 901 N ALA A 973 3.553 11.641 3.305 1.00 0.00 N ATOM 902 CA ALA A 973 2.230 12.008 3.792 1.00 0.00 C ATOM 903 C ALA A 973 1.649 13.165 2.987 1.00 0.00 C ATOM 904 O ALA A 973 2.386 13.954 2.396 1.00 0.00 O ATOM 905 CB ALA A 973 2.293 12.369 5.269 1.00 0.00 C ATOM 0 H ALA A 973 4.221 12.412 3.277 1.00 0.00 H new ATOM 0 HA ALA A 973 1.573 11.148 3.667 1.00 0.00 H new ATOM 0 HB1 ALA A 973 1.298 12.641 5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 973 2.657 11.513 5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 973 2.970 13.212 5.409 1.00 0.00 H new ATOM 911 N PHE A 974 0.324 13.259 2.967 1.00 0.00 N ATOM 912 CA PHE A 974 -0.356 14.320 2.232 1.00 0.00 C ATOM 913 C PHE A 974 -1.442 14.965 3.088 1.00 0.00 C ATOM 914 O PHE A 974 -2.099 14.295 3.884 1.00 0.00 O ATOM 915 CB PHE A 974 -0.970 13.764 0.945 1.00 0.00 C ATOM 916 CG PHE A 974 0.012 13.653 -0.187 1.00 0.00 C ATOM 917 CD1 PHE A 974 0.994 12.675 -0.176 1.00 0.00 C ATOM 918 CD2 PHE A 974 -0.049 14.525 -1.262 1.00 0.00 C ATOM 919 CE1 PHE A 974 1.898 12.571 -1.216 1.00 0.00 C ATOM 920 CE2 PHE A 974 0.853 14.425 -2.305 1.00 0.00 C ATOM 921 CZ PHE A 974 1.827 13.447 -2.283 1.00 0.00 C ATOM 0 H PHE A 974 -0.301 12.614 3.451 1.00 0.00 H new ATOM 0 HA PHE A 974 0.381 15.081 1.977 1.00 0.00 H new ATOM 0 HB2 PHE A 974 -1.391 12.779 1.148 1.00 0.00 H new ATOM 0 HB3 PHE A 974 -1.795 14.407 0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 974 1.053 11.987 0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 974 -0.810 15.291 -1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 974 2.660 11.806 -1.195 1.00 0.00 H new ATOM 0 HE2 PHE A 974 0.796 15.112 -3.137 1.00 0.00 H new ATOM 0 HZ PHE A 974 2.532 13.366 -3.097 1.00 0.00 H new ATOM 931 N GLU A 975 -1.622 16.272 2.919 1.00 0.00 N ATOM 932 CA GLU A 975 -2.626 17.008 3.677 1.00 0.00 C ATOM 933 C GLU A 975 -4.029 16.706 3.159 1.00 0.00 C ATOM 934 O GLU A 975 -4.989 16.655 3.928 1.00 0.00 O ATOM 935 CB GLU A 975 -2.354 18.512 3.599 1.00 0.00 C ATOM 936 CG GLU A 975 -0.988 18.912 4.131 1.00 0.00 C ATOM 937 CD GLU A 975 -0.792 20.416 4.164 1.00 0.00 C ATOM 938 OE1 GLU A 975 -0.697 21.026 3.078 1.00 0.00 O ATOM 939 OE2 GLU A 975 -0.734 20.982 5.275 1.00 0.00 O ATOM 0 H GLU A 975 -1.086 16.842 2.264 1.00 0.00 H new ATOM 0 HA GLU A 975 -2.565 16.688 4.717 1.00 0.00 H new ATOM 0 HB2 GLU A 975 -2.439 18.835 2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 975 -3.123 19.041 4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 975 -0.862 18.511 5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 975 -0.214 18.462 3.509 1.00 0.00 H new ATOM 946 N SER A 976 -4.139 16.508 1.849 1.00 0.00 N ATOM 947 CA SER A 976 -5.425 16.215 1.226 1.00 0.00 C ATOM 948 C SER A 976 -5.425 14.819 0.611 1.00 0.00 C ATOM 949 O SER A 976 -4.502 14.448 -0.114 1.00 0.00 O ATOM 950 CB SER A 976 -5.745 17.258 0.153 1.00 0.00 C ATOM 951 OG SER A 976 -7.144 17.412 -0.007 1.00 0.00 O ATOM 0 H SER A 976 -3.354 16.545 1.199 1.00 0.00 H new ATOM 0 HA SER A 976 -6.193 16.252 1.999 1.00 0.00 H new ATOM 0 HB2 SER A 976 -5.300 18.214 0.427 1.00 0.00 H new ATOM 0 HB3 SER A 976 -5.298 16.958 -0.795 1.00 0.00 H new ATOM 0 HG SER A 976 -7.322 18.085 -0.697 1.00 0.00 H new ATOM 957 N ARG A 977 -6.469 14.050 0.905 1.00 0.00 N ATOM 958 CA ARG A 977 -6.590 12.694 0.382 1.00 0.00 C ATOM 959 C ARG A 977 -6.693 12.706 -1.140 1.00 0.00 C ATOM 960 O ARG A 977 -6.137 11.840 -1.816 1.00 0.00 O ATOM 961 CB ARG A 977 -7.815 12.002 0.982 1.00 0.00 C ATOM 962 CG ARG A 977 -8.142 10.669 0.328 1.00 0.00 C ATOM 963 CD ARG A 977 -7.204 9.570 0.803 1.00 0.00 C ATOM 964 NE ARG A 977 -7.582 9.058 2.117 1.00 0.00 N ATOM 965 CZ ARG A 977 -7.147 7.903 2.609 1.00 0.00 C ATOM 966 NH1 ARG A 977 -6.321 7.146 1.900 1.00 0.00 N ATOM 967 NH2 ARG A 977 -7.536 7.505 3.813 1.00 0.00 N ATOM 0 H ARG A 977 -7.242 14.343 1.502 1.00 0.00 H new ATOM 0 HA ARG A 977 -5.694 12.141 0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 977 -7.647 11.843 2.047 1.00 0.00 H new ATOM 0 HB3 ARG A 977 -8.677 12.663 0.891 1.00 0.00 H new ATOM 0 HG2 ARG A 977 -9.172 10.394 0.556 1.00 0.00 H new ATOM 0 HG3 ARG A 977 -8.071 10.767 -0.755 1.00 0.00 H new ATOM 0 HD2 ARG A 977 -7.207 8.753 0.081 1.00 0.00 H new ATOM 0 HD3 ARG A 977 -6.185 9.955 0.843 1.00 0.00 H new ATOM 0 HE ARG A 977 -8.215 9.618 2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 977 -6.018 7.450 0.975 1.00 0.00 H new ATOM 0 HH12 ARG A 977 -5.988 6.260 2.280 1.00 0.00 H new ATOM 0 HH21 ARG A 977 -8.170 8.086 4.362 1.00 0.00 H new ATOM 0 HH22 ARG A 977 -7.201 6.618 4.190 1.00 0.00 H new ATOM 981 N ASP A 978 -7.406 13.692 -1.672 1.00 0.00 N ATOM 982 CA ASP A 978 -7.582 13.816 -3.115 1.00 0.00 C ATOM 983 C ASP A 978 -6.237 14.000 -3.812 1.00 0.00 C ATOM 984 O ASP A 978 -5.991 13.418 -4.868 1.00 0.00 O ATOM 985 CB ASP A 978 -8.503 14.994 -3.438 1.00 0.00 C ATOM 986 CG ASP A 978 -8.807 15.101 -4.919 1.00 0.00 C ATOM 987 OD1 ASP A 978 -9.645 14.317 -5.411 1.00 0.00 O ATOM 988 OD2 ASP A 978 -8.206 15.969 -5.587 1.00 0.00 O ATOM 0 H ASP A 978 -7.872 14.417 -1.126 1.00 0.00 H new ATOM 0 HA ASP A 978 -8.038 12.897 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -9.436 14.884 -2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -8.038 15.919 -3.098 1.00 0.00 H new ATOM 993 N GLU A 979 -5.372 14.813 -3.214 1.00 0.00 N ATOM 994 CA GLU A 979 -4.054 15.074 -3.779 1.00 0.00 C ATOM 995 C GLU A 979 -3.201 13.808 -3.778 1.00 0.00 C ATOM 996 O GLU A 979 -2.567 13.473 -4.777 1.00 0.00 O ATOM 997 CB GLU A 979 -3.346 16.179 -2.992 1.00 0.00 C ATOM 998 CG GLU A 979 -3.736 17.581 -3.428 1.00 0.00 C ATOM 999 CD GLU A 979 -3.771 17.735 -4.936 1.00 0.00 C ATOM 1000 OE1 GLU A 979 -2.703 17.990 -5.531 1.00 0.00 O ATOM 1001 OE2 GLU A 979 -4.866 17.600 -5.522 1.00 0.00 O ATOM 0 H GLU A 979 -5.560 15.302 -2.339 1.00 0.00 H new ATOM 0 HA GLU A 979 -4.188 15.401 -4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 979 -3.572 16.061 -1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 979 -2.268 16.059 -3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 979 -4.716 17.825 -3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 979 -3.029 18.297 -3.010 1.00 0.00 H new ATOM 1008 N ALA A 980 -3.191 13.109 -2.647 1.00 0.00 N ATOM 1009 CA ALA A 980 -2.419 11.881 -2.515 1.00 0.00 C ATOM 1010 C ALA A 980 -2.763 10.893 -3.625 1.00 0.00 C ATOM 1011 O ALA A 980 -1.876 10.332 -4.269 1.00 0.00 O ATOM 1012 CB ALA A 980 -2.660 11.250 -1.152 1.00 0.00 C ATOM 0 H ALA A 980 -3.709 13.373 -1.809 1.00 0.00 H new ATOM 0 HA ALA A 980 -1.363 12.135 -2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 980 -2.077 10.333 -1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 980 -2.357 11.946 -0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 980 -3.719 11.018 -1.041 1.00 0.00 H new ATOM 1018 N THR A 981 -4.058 10.684 -3.844 1.00 0.00 N ATOM 1019 CA THR A 981 -4.520 9.763 -4.875 1.00 0.00 C ATOM 1020 C THR A 981 -4.132 10.255 -6.265 1.00 0.00 C ATOM 1021 O THR A 981 -3.677 9.477 -7.104 1.00 0.00 O ATOM 1022 CB THR A 981 -6.047 9.576 -4.817 1.00 0.00 C ATOM 1023 OG1 THR A 981 -6.455 9.285 -3.475 1.00 0.00 O ATOM 1024 CG2 THR A 981 -6.490 8.451 -5.741 1.00 0.00 C ATOM 0 H THR A 981 -4.805 11.140 -3.321 1.00 0.00 H new ATOM 0 HA THR A 981 -4.037 8.805 -4.683 1.00 0.00 H new ATOM 0 HB THR A 981 -6.517 10.503 -5.147 1.00 0.00 H new ATOM 0 HG1 THR A 981 -6.421 10.104 -2.938 1.00 0.00 H new ATOM 0 HG21 THR A 981 -7.573 8.338 -5.683 1.00 0.00 H new ATOM 0 HG22 THR A 981 -6.204 8.688 -6.766 1.00 0.00 H new ATOM 0 HG23 THR A 981 -6.011 7.520 -5.437 1.00 0.00 H new ATOM 1032 N ALA A 982 -4.314 11.550 -6.502 1.00 0.00 N ATOM 1033 CA ALA A 982 -3.980 12.145 -7.790 1.00 0.00 C ATOM 1034 C ALA A 982 -2.498 11.974 -8.106 1.00 0.00 C ATOM 1035 O ALA A 982 -2.127 11.668 -9.239 1.00 0.00 O ATOM 1036 CB ALA A 982 -4.359 13.618 -7.805 1.00 0.00 C ATOM 0 H ALA A 982 -4.691 12.207 -5.819 1.00 0.00 H new ATOM 0 HA ALA A 982 -4.551 11.627 -8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -4.104 14.049 -8.773 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -5.431 13.720 -7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -3.814 14.142 -7.019 1.00 0.00 H new ATOM 1042 N ALA A 983 -1.656 12.175 -7.098 1.00 0.00 N ATOM 1043 CA ALA A 983 -0.215 12.042 -7.268 1.00 0.00 C ATOM 1044 C ALA A 983 0.173 10.595 -7.555 1.00 0.00 C ATOM 1045 O ALA A 983 1.044 10.327 -8.383 1.00 0.00 O ATOM 1046 CB ALA A 983 0.512 12.549 -6.032 1.00 0.00 C ATOM 0 H ALA A 983 -1.947 12.431 -6.155 1.00 0.00 H new ATOM 0 HA ALA A 983 0.082 12.648 -8.124 1.00 0.00 H new ATOM 0 HB1 ALA A 983 1.588 12.443 -6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 983 0.269 13.599 -5.872 1.00 0.00 H new ATOM 0 HB3 ALA A 983 0.202 11.968 -5.163 1.00 0.00 H new ATOM 1052 N VAL A 984 -0.479 9.664 -6.866 1.00 0.00 N ATOM 1053 CA VAL A 984 -0.203 8.244 -7.047 1.00 0.00 C ATOM 1054 C VAL A 984 -0.602 7.780 -8.443 1.00 0.00 C ATOM 1055 O VAL A 984 0.172 7.116 -9.132 1.00 0.00 O ATOM 1056 CB VAL A 984 -0.945 7.390 -6.002 1.00 0.00 C ATOM 1057 CG1 VAL A 984 -0.662 5.912 -6.222 1.00 0.00 C ATOM 1058 CG2 VAL A 984 -0.554 7.813 -4.594 1.00 0.00 C ATOM 0 H VAL A 984 -1.203 9.868 -6.177 1.00 0.00 H new ATOM 0 HA VAL A 984 0.871 8.111 -6.917 1.00 0.00 H new ATOM 0 HB VAL A 984 -2.016 7.551 -6.121 1.00 0.00 H new ATOM 0 HG11 VAL A 984 -1.195 5.324 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 984 -0.997 5.622 -7.218 1.00 0.00 H new ATOM 0 HG13 VAL A 984 0.409 5.729 -6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 984 -1.088 7.199 -3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 984 0.520 7.682 -4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 984 -0.814 8.861 -4.444 1.00 0.00 H new ATOM 1068 N ILE A 985 -1.815 8.136 -8.854 1.00 0.00 N ATOM 1069 CA ILE A 985 -2.317 7.757 -10.169 1.00 0.00 C ATOM 1070 C ILE A 985 -1.458 8.355 -11.278 1.00 0.00 C ATOM 1071 O ILE A 985 -1.111 7.675 -12.244 1.00 0.00 O ATOM 1072 CB ILE A 985 -3.776 8.208 -10.366 1.00 0.00 C ATOM 1073 CG1 ILE A 985 -4.672 7.592 -9.290 1.00 0.00 C ATOM 1074 CG2 ILE A 985 -4.266 7.824 -11.754 1.00 0.00 C ATOM 1075 CD1 ILE A 985 -5.951 8.365 -9.053 1.00 0.00 C ATOM 0 H ILE A 985 -2.468 8.686 -8.295 1.00 0.00 H new ATOM 0 HA ILE A 985 -2.271 6.669 -10.223 1.00 0.00 H new ATOM 0 HB ILE A 985 -3.821 9.293 -10.273 1.00 0.00 H new ATOM 0 HG12 ILE A 985 -4.922 6.571 -9.578 1.00 0.00 H new ATOM 0 HG13 ILE A 985 -4.115 7.532 -8.355 1.00 0.00 H new ATOM 0 HG21 ILE A 985 -5.299 8.149 -11.878 1.00 0.00 H new ATOM 0 HG22 ILE A 985 -3.641 8.305 -12.506 1.00 0.00 H new ATOM 0 HG23 ILE A 985 -4.210 6.742 -11.873 1.00 0.00 H new ATOM 0 HD11 ILE A 985 -6.537 7.871 -8.278 1.00 0.00 H new ATOM 0 HD12 ILE A 985 -5.710 9.379 -8.734 1.00 0.00 H new ATOM 0 HD13 ILE A 985 -6.530 8.403 -9.976 1.00 0.00 H new ATOM 1087 N ASP A 986 -1.116 9.630 -11.132 1.00 0.00 N ATOM 1088 CA ASP A 986 -0.294 10.320 -12.119 1.00 0.00 C ATOM 1089 C ASP A 986 1.162 9.878 -12.019 1.00 0.00 C ATOM 1090 O ASP A 986 1.909 9.936 -12.997 1.00 0.00 O ATOM 1091 CB ASP A 986 -0.395 11.835 -11.930 1.00 0.00 C ATOM 1092 CG ASP A 986 -1.535 12.443 -12.722 1.00 0.00 C ATOM 1093 OD1 ASP A 986 -2.686 12.389 -12.241 1.00 0.00 O ATOM 1094 OD2 ASP A 986 -1.277 12.972 -13.824 1.00 0.00 O ATOM 0 H ASP A 986 -1.396 10.207 -10.339 1.00 0.00 H new ATOM 0 HA ASP A 986 -0.666 10.060 -13.110 1.00 0.00 H new ATOM 0 HB2 ASP A 986 -0.532 12.058 -10.872 1.00 0.00 H new ATOM 0 HB3 ASP A 986 0.543 12.299 -12.234 1.00 0.00 H new ATOM 1099 N LEU A 987 1.561 9.437 -10.831 1.00 0.00 N ATOM 1100 CA LEU A 987 2.929 8.985 -10.602 1.00 0.00 C ATOM 1101 C LEU A 987 2.962 7.498 -10.265 1.00 0.00 C ATOM 1102 O LEU A 987 3.867 7.028 -9.577 1.00 0.00 O ATOM 1103 CB LEU A 987 3.570 9.791 -9.471 1.00 0.00 C ATOM 1104 CG LEU A 987 3.405 11.309 -9.550 1.00 0.00 C ATOM 1105 CD1 LEU A 987 3.767 11.955 -8.223 1.00 0.00 C ATOM 1106 CD2 LEU A 987 4.257 11.880 -10.674 1.00 0.00 C ATOM 0 H LEU A 987 0.956 9.383 -10.011 1.00 0.00 H new ATOM 0 HA LEU A 987 3.496 9.143 -11.519 1.00 0.00 H new ATOM 0 HB2 LEU A 987 3.150 9.449 -8.525 1.00 0.00 H new ATOM 0 HB3 LEU A 987 4.636 9.562 -9.448 1.00 0.00 H new ATOM 0 HG LEU A 987 2.360 11.531 -9.765 1.00 0.00 H new ATOM 0 HD11 LEU A 987 3.643 13.035 -8.299 1.00 0.00 H new ATOM 0 HD12 LEU A 987 3.114 11.569 -7.440 1.00 0.00 H new ATOM 0 HD13 LEU A 987 4.804 11.725 -7.977 1.00 0.00 H new ATOM 0 HD21 LEU A 987 4.127 12.961 -10.716 1.00 0.00 H new ATOM 0 HD22 LEU A 987 5.306 11.647 -10.490 1.00 0.00 H new ATOM 0 HD23 LEU A 987 3.949 11.441 -11.623 1.00 0.00 H new ATOM 1118 N ASN A 988 1.970 6.763 -10.757 1.00 0.00 N ATOM 1119 CA ASN A 988 1.887 5.328 -10.509 1.00 0.00 C ATOM 1120 C ASN A 988 2.667 4.548 -11.563 1.00 0.00 C ATOM 1121 O ASN A 988 2.471 4.739 -12.763 1.00 0.00 O ATOM 1122 CB ASN A 988 0.425 4.875 -10.501 1.00 0.00 C ATOM 1123 CG ASN A 988 0.262 3.443 -10.973 1.00 0.00 C ATOM 1124 OD1 ASN A 988 -0.084 3.194 -12.128 1.00 0.00 O ATOM 1125 ND2 ASN A 988 0.510 2.493 -10.079 1.00 0.00 N ATOM 0 H ASN A 988 1.213 7.137 -11.329 1.00 0.00 H new ATOM 0 HA ASN A 988 2.328 5.127 -9.533 1.00 0.00 H new ATOM 0 HB2 ASN A 988 0.023 4.970 -9.492 1.00 0.00 H new ATOM 0 HB3 ASN A 988 -0.161 5.535 -11.141 1.00 0.00 H new ATOM 0 HD21 ASN A 988 0.416 1.511 -10.339 1.00 0.00 H new ATOM 0 HD22 ASN A 988 0.794 2.745 -9.132 1.00 0.00 H new ATOM 1132 N ASP A 989 3.551 3.668 -11.106 1.00 0.00 N ATOM 1133 CA ASP A 989 4.361 2.858 -12.008 1.00 0.00 C ATOM 1134 C ASP A 989 5.240 3.739 -12.890 1.00 0.00 C ATOM 1135 O ASP A 989 5.387 3.487 -14.086 1.00 0.00 O ATOM 1136 CB ASP A 989 3.464 1.977 -12.879 1.00 0.00 C ATOM 1137 CG ASP A 989 4.227 0.845 -13.537 1.00 0.00 C ATOM 1138 OD1 ASP A 989 4.756 1.054 -14.649 1.00 0.00 O ATOM 1139 OD2 ASP A 989 4.295 -0.251 -12.941 1.00 0.00 O ATOM 0 H ASP A 989 3.725 3.497 -10.116 1.00 0.00 H new ATOM 0 HA ASP A 989 5.007 2.222 -11.404 1.00 0.00 H new ATOM 0 HB2 ASP A 989 2.662 1.563 -12.267 1.00 0.00 H new ATOM 0 HB3 ASP A 989 2.994 2.590 -13.648 1.00 0.00 H new ATOM 1144 N ARG A 990 5.821 4.773 -12.291 1.00 0.00 N ATOM 1145 CA ARG A 990 6.684 5.693 -13.022 1.00 0.00 C ATOM 1146 C ARG A 990 8.123 5.187 -13.045 1.00 0.00 C ATOM 1147 O ARG A 990 8.671 4.753 -12.031 1.00 0.00 O ATOM 1148 CB ARG A 990 6.632 7.086 -12.391 1.00 0.00 C ATOM 1149 CG ARG A 990 5.475 7.937 -12.889 1.00 0.00 C ATOM 1150 CD ARG A 990 5.769 9.421 -12.734 1.00 0.00 C ATOM 1151 NE ARG A 990 6.622 9.925 -13.807 1.00 0.00 N ATOM 1152 CZ ARG A 990 6.214 10.071 -15.063 1.00 0.00 C ATOM 1153 NH1 ARG A 990 4.973 9.753 -15.402 1.00 0.00 N ATOM 1154 NH2 ARG A 990 7.049 10.536 -15.983 1.00 0.00 N ATOM 0 H ARG A 990 5.710 4.995 -11.302 1.00 0.00 H new ATOM 0 HA ARG A 990 6.322 5.753 -14.048 1.00 0.00 H new ATOM 0 HB2 ARG A 990 6.557 6.983 -11.309 1.00 0.00 H new ATOM 0 HB3 ARG A 990 7.568 7.604 -12.597 1.00 0.00 H new ATOM 0 HG2 ARG A 990 5.280 7.711 -13.937 1.00 0.00 H new ATOM 0 HG3 ARG A 990 4.571 7.684 -12.335 1.00 0.00 H new ATOM 0 HD2 ARG A 990 4.832 9.977 -12.725 1.00 0.00 H new ATOM 0 HD3 ARG A 990 6.253 9.596 -11.773 1.00 0.00 H new ATOM 0 HE ARG A 990 7.583 10.179 -13.580 1.00 0.00 H new ATOM 0 HH11 ARG A 990 4.328 9.395 -14.698 1.00 0.00 H new ATOM 0 HH12 ARG A 990 4.663 9.866 -16.367 1.00 0.00 H new ATOM 0 HH21 ARG A 990 8.005 10.782 -15.726 1.00 0.00 H new ATOM 0 HH22 ARG A 990 6.735 10.648 -16.947 1.00 0.00 H new ATOM 1168 N PRO A 991 8.752 5.243 -14.228 1.00 0.00 N ATOM 1169 CA PRO A 991 10.135 4.794 -14.412 1.00 0.00 C ATOM 1170 C PRO A 991 11.139 5.714 -13.725 1.00 0.00 C ATOM 1171 O PRO A 991 11.684 6.627 -14.347 1.00 0.00 O ATOM 1172 CB PRO A 991 10.323 4.836 -15.930 1.00 0.00 C ATOM 1173 CG PRO A 991 9.340 5.849 -16.406 1.00 0.00 C ATOM 1174 CD PRO A 991 8.160 5.748 -15.479 1.00 0.00 C ATOM 0 HA PRO A 991 10.306 3.810 -13.975 1.00 0.00 H new ATOM 0 HB2 PRO A 991 11.342 5.118 -16.195 1.00 0.00 H new ATOM 0 HB3 PRO A 991 10.135 3.861 -16.379 1.00 0.00 H new ATOM 0 HG2 PRO A 991 9.770 6.851 -16.383 1.00 0.00 H new ATOM 0 HG3 PRO A 991 9.045 5.652 -17.437 1.00 0.00 H new ATOM 0 HD2 PRO A 991 7.679 6.715 -15.334 1.00 0.00 H new ATOM 0 HD3 PRO A 991 7.401 5.069 -15.867 1.00 0.00 H new ATOM 1182 N ILE A 992 11.378 5.469 -12.441 1.00 0.00 N ATOM 1183 CA ILE A 992 12.317 6.275 -11.672 1.00 0.00 C ATOM 1184 C ILE A 992 13.749 5.790 -11.871 1.00 0.00 C ATOM 1185 O ILE A 992 14.041 4.604 -11.720 1.00 0.00 O ATOM 1186 CB ILE A 992 11.982 6.249 -10.169 1.00 0.00 C ATOM 1187 CG1 ILE A 992 10.804 7.178 -9.870 1.00 0.00 C ATOM 1188 CG2 ILE A 992 13.199 6.647 -9.348 1.00 0.00 C ATOM 1189 CD1 ILE A 992 10.547 7.372 -8.392 1.00 0.00 C ATOM 0 H ILE A 992 10.934 4.719 -11.912 1.00 0.00 H new ATOM 0 HA ILE A 992 12.228 7.298 -12.038 1.00 0.00 H new ATOM 0 HB ILE A 992 11.698 5.233 -9.893 1.00 0.00 H new ATOM 0 HG12 ILE A 992 10.992 8.149 -10.328 1.00 0.00 H new ATOM 0 HG13 ILE A 992 9.906 6.774 -10.337 1.00 0.00 H new ATOM 0 HG21 ILE A 992 12.946 6.624 -8.288 1.00 0.00 H new ATOM 0 HG22 ILE A 992 14.013 5.949 -9.542 1.00 0.00 H new ATOM 0 HG23 ILE A 992 13.511 7.654 -9.625 1.00 0.00 H new ATOM 0 HD11 ILE A 992 9.698 8.042 -8.255 1.00 0.00 H new ATOM 0 HD12 ILE A 992 10.327 6.409 -7.931 1.00 0.00 H new ATOM 0 HD13 ILE A 992 11.430 7.805 -7.923 1.00 0.00 H new ATOM 1201 N GLY A 993 14.641 6.717 -12.208 1.00 0.00 N ATOM 1202 CA GLY A 993 16.032 6.365 -12.420 1.00 0.00 C ATOM 1203 C GLY A 993 16.207 5.315 -13.500 1.00 0.00 C ATOM 1204 O GLY A 993 16.308 5.642 -14.682 1.00 0.00 O ATOM 0 H GLY A 993 14.424 7.705 -12.338 1.00 0.00 H new ATOM 0 HA2 GLY A 993 16.592 7.259 -12.693 1.00 0.00 H new ATOM 0 HA3 GLY A 993 16.456 5.996 -11.486 1.00 0.00 H new ATOM 1208 N SER A 994 16.244 4.051 -13.093 1.00 0.00 N ATOM 1209 CA SER A 994 16.413 2.950 -14.034 1.00 0.00 C ATOM 1210 C SER A 994 15.381 1.855 -13.780 1.00 0.00 C ATOM 1211 O SER A 994 15.326 0.860 -14.503 1.00 0.00 O ATOM 1212 CB SER A 994 17.825 2.370 -13.925 1.00 0.00 C ATOM 1213 OG SER A 994 18.137 1.573 -15.054 1.00 0.00 O ATOM 0 H SER A 994 16.159 3.763 -12.118 1.00 0.00 H new ATOM 0 HA SER A 994 16.264 3.340 -15.041 1.00 0.00 H new ATOM 0 HB2 SER A 994 18.549 3.180 -13.837 1.00 0.00 H new ATOM 0 HB3 SER A 994 17.906 1.770 -13.019 1.00 0.00 H new ATOM 0 HG SER A 994 17.354 1.040 -15.305 1.00 0.00 H new ATOM 1219 N ARG A 995 14.566 2.046 -12.748 1.00 0.00 N ATOM 1220 CA ARG A 995 13.537 1.076 -12.397 1.00 0.00 C ATOM 1221 C ARG A 995 12.204 1.769 -12.130 1.00 0.00 C ATOM 1222 O ARG A 995 12.161 2.963 -11.835 1.00 0.00 O ATOM 1223 CB ARG A 995 13.961 0.272 -11.166 1.00 0.00 C ATOM 1224 CG ARG A 995 15.371 -0.288 -11.261 1.00 0.00 C ATOM 1225 CD ARG A 995 15.678 -1.224 -10.102 1.00 0.00 C ATOM 1226 NE ARG A 995 15.127 -2.559 -10.316 1.00 0.00 N ATOM 1227 CZ ARG A 995 15.726 -3.493 -11.047 1.00 0.00 C ATOM 1228 NH1 ARG A 995 16.889 -3.238 -11.630 1.00 0.00 N ATOM 1229 NH2 ARG A 995 15.162 -4.685 -11.195 1.00 0.00 N ATOM 0 H ARG A 995 14.599 2.864 -12.140 1.00 0.00 H new ATOM 0 HA ARG A 995 13.412 0.397 -13.240 1.00 0.00 H new ATOM 0 HB2 ARG A 995 13.891 0.909 -10.284 1.00 0.00 H new ATOM 0 HB3 ARG A 995 13.261 -0.551 -11.021 1.00 0.00 H new ATOM 0 HG2 ARG A 995 15.488 -0.823 -12.203 1.00 0.00 H new ATOM 0 HG3 ARG A 995 16.089 0.532 -11.268 1.00 0.00 H new ATOM 0 HD2 ARG A 995 16.758 -1.294 -9.969 1.00 0.00 H new ATOM 0 HD3 ARG A 995 15.270 -0.807 -9.181 1.00 0.00 H new ATOM 0 HE ARG A 995 14.233 -2.787 -9.881 1.00 0.00 H new ATOM 0 HH11 ARG A 995 17.326 -2.323 -11.518 1.00 0.00 H new ATOM 0 HH12 ARG A 995 17.347 -3.957 -12.191 1.00 0.00 H new ATOM 0 HH21 ARG A 995 14.268 -4.885 -10.747 1.00 0.00 H new ATOM 0 HH22 ARG A 995 15.623 -5.401 -11.756 1.00 0.00 H new ATOM 1243 N LYS A 996 11.117 1.012 -12.237 1.00 0.00 N ATOM 1244 CA LYS A 996 9.782 1.552 -12.007 1.00 0.00 C ATOM 1245 C LYS A 996 9.425 1.506 -10.525 1.00 0.00 C ATOM 1246 O LYS A 996 9.794 0.571 -9.815 1.00 0.00 O ATOM 1247 CB LYS A 996 8.746 0.768 -12.816 1.00 0.00 C ATOM 1248 CG LYS A 996 8.902 0.927 -14.319 1.00 0.00 C ATOM 1249 CD LYS A 996 8.043 -0.072 -15.077 1.00 0.00 C ATOM 1250 CE LYS A 996 8.532 -0.257 -16.505 1.00 0.00 C ATOM 1251 NZ LYS A 996 8.120 0.873 -17.383 1.00 0.00 N ATOM 0 H LYS A 996 11.135 0.022 -12.482 1.00 0.00 H new ATOM 0 HA LYS A 996 9.777 2.592 -12.332 1.00 0.00 H new ATOM 0 HB2 LYS A 996 8.822 -0.289 -12.561 1.00 0.00 H new ATOM 0 HB3 LYS A 996 7.747 1.095 -12.526 1.00 0.00 H new ATOM 0 HG2 LYS A 996 8.625 1.940 -14.609 1.00 0.00 H new ATOM 0 HG3 LYS A 996 9.948 0.791 -14.594 1.00 0.00 H new ATOM 0 HD2 LYS A 996 8.056 -1.031 -14.560 1.00 0.00 H new ATOM 0 HD3 LYS A 996 7.008 0.270 -15.087 1.00 0.00 H new ATOM 0 HE2 LYS A 996 9.619 -0.342 -16.509 1.00 0.00 H new ATOM 0 HE3 LYS A 996 8.138 -1.191 -16.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 996 8.472 0.709 -18.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 996 7.082 0.939 -17.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 996 8.517 1.761 -17.015 1.00 0.00 H new ATOM 1265 N VAL A 997 8.704 2.523 -10.063 1.00 0.00 N ATOM 1266 CA VAL A 997 8.294 2.598 -8.666 1.00 0.00 C ATOM 1267 C VAL A 997 6.815 2.264 -8.508 1.00 0.00 C ATOM 1268 O VAL A 997 6.015 2.492 -9.416 1.00 0.00 O ATOM 1269 CB VAL A 997 8.560 3.996 -8.077 1.00 0.00 C ATOM 1270 CG1 VAL A 997 9.975 4.084 -7.527 1.00 0.00 C ATOM 1271 CG2 VAL A 997 8.320 5.070 -9.127 1.00 0.00 C ATOM 0 H VAL A 997 8.392 3.307 -10.636 1.00 0.00 H new ATOM 0 HA VAL A 997 8.889 1.864 -8.122 1.00 0.00 H new ATOM 0 HB VAL A 997 7.865 4.162 -7.254 1.00 0.00 H new ATOM 0 HG11 VAL A 997 10.144 5.079 -7.115 1.00 0.00 H new ATOM 0 HG12 VAL A 997 10.107 3.339 -6.742 1.00 0.00 H new ATOM 0 HG13 VAL A 997 10.689 3.897 -8.329 1.00 0.00 H new ATOM 0 HG21 VAL A 997 8.512 6.052 -8.694 1.00 0.00 H new ATOM 0 HG22 VAL A 997 8.989 4.909 -9.972 1.00 0.00 H new ATOM 0 HG23 VAL A 997 7.286 5.020 -9.468 1.00 0.00 H new ATOM 1281 N LYS A 998 6.457 1.724 -7.348 1.00 0.00 N ATOM 1282 CA LYS A 998 5.073 1.360 -7.068 1.00 0.00 C ATOM 1283 C LYS A 998 4.500 2.221 -5.947 1.00 0.00 C ATOM 1284 O LYS A 998 5.063 2.290 -4.854 1.00 0.00 O ATOM 1285 CB LYS A 998 4.980 -0.120 -6.688 1.00 0.00 C ATOM 1286 CG LYS A 998 3.646 -0.756 -7.040 1.00 0.00 C ATOM 1287 CD LYS A 998 2.563 -0.366 -6.048 1.00 0.00 C ATOM 1288 CE LYS A 998 1.359 -1.291 -6.146 1.00 0.00 C ATOM 1289 NZ LYS A 998 1.620 -2.610 -5.507 1.00 0.00 N ATOM 0 H LYS A 998 7.107 1.529 -6.586 1.00 0.00 H new ATOM 0 HA LYS A 998 4.488 1.534 -7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 998 5.778 -0.666 -7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 998 5.150 -0.223 -5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 998 3.349 -0.450 -8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 998 3.752 -1.841 -7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 998 2.966 -0.398 -5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 998 2.250 0.661 -6.234 1.00 0.00 H new ATOM 0 HE2 LYS A 998 0.499 -0.820 -5.669 1.00 0.00 H new ATOM 0 HE3 LYS A 998 1.100 -1.440 -7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 998 0.738 -3.160 -5.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 998 2.331 -3.129 -6.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 998 1.973 -2.463 -4.540 1.00 0.00 H new ATOM 1303 N LEU A 999 3.376 2.874 -6.225 1.00 0.00 N ATOM 1304 CA LEU A 999 2.726 3.730 -5.238 1.00 0.00 C ATOM 1305 C LEU A 999 1.406 3.121 -4.776 1.00 0.00 C ATOM 1306 O LEU A 999 0.588 2.693 -5.591 1.00 0.00 O ATOM 1307 CB LEU A 999 2.482 5.122 -5.824 1.00 0.00 C ATOM 1308 CG LEU A 999 3.729 5.962 -6.100 1.00 0.00 C ATOM 1309 CD1 LEU A 999 3.387 7.149 -6.987 1.00 0.00 C ATOM 1310 CD2 LEU A 999 4.356 6.431 -4.795 1.00 0.00 C ATOM 0 H LEU A 999 2.897 2.827 -7.124 1.00 0.00 H new ATOM 0 HA LEU A 999 3.387 3.817 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 999 1.930 5.010 -6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 999 1.840 5.675 -5.139 1.00 0.00 H new ATOM 0 HG LEU A 999 4.454 5.340 -6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 999 4.287 7.736 -7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 999 2.985 6.791 -7.935 1.00 0.00 H new ATOM 0 HD13 LEU A 999 2.644 7.772 -6.490 1.00 0.00 H new ATOM 0 HD21 LEU A 999 5.242 7.027 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 999 3.637 7.036 -4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 999 4.638 5.566 -4.195 1.00 0.00 H new ATOM 1322 N VAL A1000 1.203 3.088 -3.463 1.00 0.00 N ATOM 1323 CA VAL A1000 -0.019 2.536 -2.891 1.00 0.00 C ATOM 1324 C VAL A1000 -0.663 3.516 -1.917 1.00 0.00 C ATOM 1325 O VAL A1000 0.029 4.227 -1.187 1.00 0.00 O ATOM 1326 CB VAL A1000 0.253 1.207 -2.161 1.00 0.00 C ATOM 1327 CG1 VAL A1000 -1.052 0.559 -1.726 1.00 0.00 C ATOM 1328 CG2 VAL A1000 1.056 0.267 -3.047 1.00 0.00 C ATOM 0 H VAL A1000 1.870 3.437 -2.775 1.00 0.00 H new ATOM 0 HA VAL A1000 -0.701 2.353 -3.721 1.00 0.00 H new ATOM 0 HB VAL A1000 0.841 1.417 -1.268 1.00 0.00 H new ATOM 0 HG11 VAL A1000 -0.839 -0.378 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL A1000 -1.584 1.230 -1.051 1.00 0.00 H new ATOM 0 HG13 VAL A1000 -1.669 0.361 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A1000 1.239 -0.667 -2.515 1.00 0.00 H new ATOM 0 HG22 VAL A1000 0.497 0.061 -3.960 1.00 0.00 H new ATOM 0 HG23 VAL A1000 2.008 0.732 -3.302 1.00 0.00 H new ATOM 1338 N LEU A1001 -1.991 3.549 -1.910 1.00 0.00 N ATOM 1339 CA LEU A1001 -2.730 4.442 -1.025 1.00 0.00 C ATOM 1340 C LEU A1001 -2.784 3.881 0.393 1.00 0.00 C ATOM 1341 O LEU A1001 -3.058 2.699 0.593 1.00 0.00 O ATOM 1342 CB LEU A1001 -4.148 4.659 -1.555 1.00 0.00 C ATOM 1343 CG LEU A1001 -4.325 5.808 -2.548 1.00 0.00 C ATOM 1344 CD1 LEU A1001 -5.706 5.757 -3.182 1.00 0.00 C ATOM 1345 CD2 LEU A1001 -4.101 7.147 -1.861 1.00 0.00 C ATOM 0 H LEU A1001 -2.578 2.967 -2.508 1.00 0.00 H new ATOM 0 HA LEU A1001 -2.209 5.399 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A1001 -4.481 3.738 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A1001 -4.809 4.834 -0.706 1.00 0.00 H new ATOM 0 HG LEU A1001 -3.581 5.698 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A1001 -5.814 6.582 -3.886 1.00 0.00 H new ATOM 0 HD12 LEU A1001 -5.829 4.811 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A1001 -6.466 5.841 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A1001 -4.231 7.953 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU A1001 -4.821 7.266 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A1001 -3.090 7.183 -1.455 1.00 0.00 H new ATOM 1357 N GLY A1002 -2.523 4.740 1.374 1.00 0.00 N ATOM 1358 CA GLY A1002 -2.550 4.312 2.760 1.00 0.00 C ATOM 1359 C GLY A1002 -3.848 3.621 3.129 1.00 0.00 C ATOM 1360 O GLY A1002 -4.931 4.169 2.923 1.00 0.00 O ATOM 0 H GLY A1002 -2.294 5.724 1.233 1.00 0.00 H new ATOM 0 HA2 GLY A1002 -1.716 3.634 2.944 1.00 0.00 H new ATOM 0 HA3 GLY A1002 -2.406 5.177 3.407 1.00 0.00 H new