USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=19 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 -70:sc= -0.942 USER MOD Single : A 929 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 931 GLN :FLIP amide:sc= -1.68! C(o=-2.8!,f=-1.7!) USER MOD Single : A 932 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.39) USER MOD Single : A 933 MET CE :methyl 177:sc= -1.62 (180deg=-1.67) USER MOD Single : A 936 THR OG1 : rot 180:sc= 0 USER MOD Single : A 938 SER OG : rot 20:sc= 1.06 USER MOD Single : A 947 TYR OH : rot 180:sc= 0 USER MOD Single : A 949 TYR OH : rot 130:sc= -0.36 USER MOD Single : A 950 GLN : amide:sc= -0.0377 K(o=-0.038,f=-1.7!) USER MOD Single : A 955 SER OG : rot -83:sc= 1.09 USER MOD Single : A 957 CYS SG : rot 180:sc= 0 USER MOD Single : A 959 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0077) USER MOD Single : A 960 TYR OH : rot 180:sc= 0 USER MOD Single : A 961 ASN : amide:sc= -4.34! C(o=-4.3!,f=-17!) USER MOD Single : A 963 LYS NZ :NH3+ 135:sc= 0.677 (180deg=-0.132) USER MOD Single : A 965 MET CE :methyl 165:sc=-0.00921 (180deg=-0.244) USER MOD Single : A 967 THR OG1 : rot 180:sc= 0 USER MOD Single : A 971 MET CE :methyl 153:sc= -0.129 (180deg=-0.513) USER MOD Single : A 976 SER OG : rot 145:sc= 1.17 USER MOD Single : A 981 THR OG1 : rot 180:sc= 0 USER MOD Single : A 988 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 994 SER OG : rot -2:sc= 0.714! USER MOD Single : A 996 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000878) USER MOD Single : A 998 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N PRO A 925 -3.648 12.823 7.829 1.00 0.00 N ATOM 149 CA PRO A 925 -3.244 12.943 6.425 1.00 0.00 C ATOM 150 C PRO A 925 -3.155 11.589 5.729 1.00 0.00 C ATOM 151 O PRO A 925 -3.221 10.542 6.375 1.00 0.00 O ATOM 152 CB PRO A 925 -1.860 13.593 6.508 1.00 0.00 C ATOM 153 CG PRO A 925 -1.346 13.217 7.855 1.00 0.00 C ATOM 154 CD PRO A 925 -2.550 13.149 8.754 1.00 0.00 C ATOM 0 HA PRO A 925 -3.965 13.516 5.842 1.00 0.00 H new ATOM 0 HB2 PRO A 925 -1.203 13.229 5.718 1.00 0.00 H new ATOM 0 HB3 PRO A 925 -1.923 14.675 6.396 1.00 0.00 H new ATOM 0 HG2 PRO A 925 -0.829 12.258 7.822 1.00 0.00 H new ATOM 0 HG3 PRO A 925 -0.629 13.953 8.218 1.00 0.00 H new ATOM 0 HD2 PRO A 925 -2.434 12.387 9.524 1.00 0.00 H new ATOM 0 HD3 PRO A 925 -2.723 14.096 9.266 1.00 0.00 H new ATOM 162 N THR A 926 -3.005 11.615 4.409 1.00 0.00 N ATOM 163 CA THR A 926 -2.907 10.390 3.626 1.00 0.00 C ATOM 164 C THR A 926 -1.454 9.971 3.438 1.00 0.00 C ATOM 165 O THR A 926 -0.662 10.697 2.836 1.00 0.00 O ATOM 166 CB THR A 926 -3.565 10.553 2.243 1.00 0.00 C ATOM 167 OG1 THR A 926 -4.874 11.116 2.386 1.00 0.00 O ATOM 168 CG2 THR A 926 -3.659 9.215 1.526 1.00 0.00 C ATOM 0 H THR A 926 -2.949 12.472 3.859 1.00 0.00 H new ATOM 0 HA THR A 926 -3.436 9.617 4.183 1.00 0.00 H new ATOM 0 HB THR A 926 -2.945 11.223 1.648 1.00 0.00 H new ATOM 0 HG1 THR A 926 -5.471 10.456 2.796 1.00 0.00 H new ATOM 0 HG21 THR A 926 -4.127 9.356 0.552 1.00 0.00 H new ATOM 0 HG22 THR A 926 -2.659 8.803 1.392 1.00 0.00 H new ATOM 0 HG23 THR A 926 -4.259 8.525 2.120 1.00 0.00 H new ATOM 176 N ILE A 927 -1.110 8.797 3.956 1.00 0.00 N ATOM 177 CA ILE A 927 0.249 8.281 3.844 1.00 0.00 C ATOM 178 C ILE A 927 0.382 7.338 2.653 1.00 0.00 C ATOM 179 O ILE A 927 -0.371 6.372 2.527 1.00 0.00 O ATOM 180 CB ILE A 927 0.677 7.539 5.123 1.00 0.00 C ATOM 181 CG1 ILE A 927 0.571 8.465 6.336 1.00 0.00 C ATOM 182 CG2 ILE A 927 2.096 7.008 4.978 1.00 0.00 C ATOM 183 CD1 ILE A 927 1.496 9.660 6.267 1.00 0.00 C ATOM 0 H ILE A 927 -1.754 8.185 4.458 1.00 0.00 H new ATOM 0 HA ILE A 927 0.902 9.141 3.698 1.00 0.00 H new ATOM 0 HB ILE A 927 0.007 6.693 5.276 1.00 0.00 H new ATOM 0 HG12 ILE A 927 -0.457 8.816 6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 927 0.793 7.895 7.238 1.00 0.00 H new ATOM 0 HG21 ILE A 927 2.384 6.486 5.890 1.00 0.00 H new ATOM 0 HG22 ILE A 927 2.142 6.318 4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 927 2.780 7.839 4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 927 1.367 10.272 7.160 1.00 0.00 H new ATOM 0 HD12 ILE A 927 2.529 9.317 6.208 1.00 0.00 H new ATOM 0 HD13 ILE A 927 1.259 10.253 5.383 1.00 0.00 H new ATOM 195 N ILE A 928 1.345 7.623 1.784 1.00 0.00 N ATOM 196 CA ILE A 928 1.579 6.798 0.605 1.00 0.00 C ATOM 197 C ILE A 928 2.837 5.952 0.767 1.00 0.00 C ATOM 198 O ILE A 928 3.793 6.360 1.427 1.00 0.00 O ATOM 199 CB ILE A 928 1.712 7.657 -0.666 1.00 0.00 C ATOM 200 CG1 ILE A 928 0.446 8.489 -0.880 1.00 0.00 C ATOM 201 CG2 ILE A 928 1.983 6.775 -1.876 1.00 0.00 C ATOM 202 CD1 ILE A 928 0.560 9.483 -2.015 1.00 0.00 C ATOM 0 H ILE A 928 1.976 8.419 1.874 1.00 0.00 H new ATOM 0 HA ILE A 928 0.714 6.143 0.502 1.00 0.00 H new ATOM 0 HB ILE A 928 2.555 8.337 -0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 928 -0.390 7.819 -1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 928 0.214 9.025 0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 928 2.074 7.397 -2.766 1.00 0.00 H new ATOM 0 HG22 ILE A 928 2.910 6.222 -1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 928 1.159 6.073 -2.007 1.00 0.00 H new ATOM 0 HD11 ILE A 928 -0.374 10.037 -2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 928 1.375 10.177 -1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 928 0.761 8.952 -2.945 1.00 0.00 H new ATOM 214 N LYS A 929 2.831 4.771 0.159 1.00 0.00 N ATOM 215 CA LYS A 929 3.973 3.866 0.231 1.00 0.00 C ATOM 216 C LYS A 929 4.638 3.718 -1.133 1.00 0.00 C ATOM 217 O LYS A 929 3.970 3.466 -2.136 1.00 0.00 O ATOM 218 CB LYS A 929 3.531 2.495 0.747 1.00 0.00 C ATOM 219 CG LYS A 929 3.581 2.368 2.259 1.00 0.00 C ATOM 220 CD LYS A 929 3.354 0.934 2.707 1.00 0.00 C ATOM 221 CE LYS A 929 1.875 0.579 2.709 1.00 0.00 C ATOM 222 NZ LYS A 929 1.206 0.995 3.972 1.00 0.00 N ATOM 0 H LYS A 929 2.047 4.417 -0.390 1.00 0.00 H new ATOM 0 HA LYS A 929 4.699 4.292 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 929 2.514 2.300 0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 929 4.167 1.728 0.305 1.00 0.00 H new ATOM 0 HG2 LYS A 929 4.549 2.715 2.622 1.00 0.00 H new ATOM 0 HG3 LYS A 929 2.824 3.013 2.704 1.00 0.00 H new ATOM 0 HD2 LYS A 929 3.891 0.255 2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 929 3.764 0.795 3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 929 1.385 1.061 1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 929 1.760 -0.496 2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 0.200 0.735 3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 1.657 0.516 4.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 1.294 2.025 4.088 1.00 0.00 H new ATOM 236 N VAL A 930 5.957 3.875 -1.164 1.00 0.00 N ATOM 237 CA VAL A 930 6.713 3.757 -2.405 1.00 0.00 C ATOM 238 C VAL A 930 7.590 2.510 -2.398 1.00 0.00 C ATOM 239 O VAL A 930 8.416 2.326 -1.505 1.00 0.00 O ATOM 240 CB VAL A 930 7.600 4.993 -2.643 1.00 0.00 C ATOM 241 CG1 VAL A 930 8.214 4.951 -4.034 1.00 0.00 C ATOM 242 CG2 VAL A 930 6.798 6.270 -2.444 1.00 0.00 C ATOM 0 H VAL A 930 6.525 4.084 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 930 5.985 3.681 -3.212 1.00 0.00 H new ATOM 0 HB VAL A 930 8.410 4.982 -1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 930 8.837 5.833 -4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 930 8.824 4.054 -4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 930 7.421 4.937 -4.782 1.00 0.00 H new ATOM 0 HG21 VAL A 930 7.440 7.134 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 930 5.966 6.291 -3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 930 6.412 6.302 -1.425 1.00 0.00 H new ATOM 252 N GLN A 931 7.403 1.656 -3.399 1.00 0.00 N ATOM 253 CA GLN A 931 8.178 0.425 -3.508 1.00 0.00 C ATOM 254 C GLN A 931 8.870 0.335 -4.864 1.00 0.00 C ATOM 255 O GLN A 931 8.562 1.096 -5.780 1.00 0.00 O ATOM 256 CB GLN A 931 7.273 -0.791 -3.301 1.00 0.00 C ATOM 257 CG GLN A 931 7.914 -1.892 -2.471 1.00 0.00 C ATOM 258 CD GLN A 931 8.780 -2.820 -3.300 1.00 0.00 C ATOM 259 OE1 GLN A 931 10.065 -2.882 -2.971 1.00 0.00 O flip ATOM 260 NE2 GLN A 931 8.300 -3.473 -4.227 1.00 0.00 N flip ATOM 0 H GLN A 931 6.722 1.793 -4.146 1.00 0.00 H new ATOM 0 HA GLN A 931 8.943 0.436 -2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 931 6.352 -0.470 -2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 931 6.995 -1.196 -4.274 1.00 0.00 H new ATOM 0 HG2 GLN A 931 8.520 -1.442 -1.684 1.00 0.00 H new ATOM 0 HG3 GLN A 931 7.133 -2.473 -1.980 1.00 0.00 H new ATOM 0 HE21 GLN A 931 7.307 -3.395 -4.445 1.00 0.00 H new ATOM 0 HE22 GLN A 931 8.896 -4.092 -4.777 1.00 0.00 H new ATOM 269 N ASN A 932 9.806 -0.601 -4.983 1.00 0.00 N ATOM 270 CA ASN A 932 10.543 -0.790 -6.228 1.00 0.00 C ATOM 271 C ASN A 932 11.417 0.423 -6.532 1.00 0.00 C ATOM 272 O ASN A 932 11.346 0.996 -7.618 1.00 0.00 O ATOM 273 CB ASN A 932 9.574 -1.037 -7.386 1.00 0.00 C ATOM 274 CG ASN A 932 10.186 -1.892 -8.479 1.00 0.00 C ATOM 275 OD1 ASN A 932 9.744 -3.014 -8.724 1.00 0.00 O ATOM 276 ND2 ASN A 932 11.208 -1.363 -9.141 1.00 0.00 N ATOM 0 H ASN A 932 10.072 -1.240 -4.234 1.00 0.00 H new ATOM 0 HA ASN A 932 11.188 -1.661 -6.111 1.00 0.00 H new ATOM 0 HB2 ASN A 932 8.676 -1.525 -7.007 1.00 0.00 H new ATOM 0 HB3 ASN A 932 9.264 -0.081 -7.807 1.00 0.00 H new ATOM 0 HD21 ASN A 932 11.660 -1.891 -9.887 1.00 0.00 H new ATOM 0 HD22 ASN A 932 11.541 -0.429 -8.903 1.00 0.00 H new ATOM 283 N MET A 933 12.243 0.808 -5.564 1.00 0.00 N ATOM 284 CA MET A 933 13.133 1.951 -5.729 1.00 0.00 C ATOM 285 C MET A 933 14.594 1.514 -5.685 1.00 0.00 C ATOM 286 O MET A 933 15.052 0.890 -4.728 1.00 0.00 O ATOM 287 CB MET A 933 12.868 2.992 -4.639 1.00 0.00 C ATOM 288 CG MET A 933 11.786 3.995 -5.007 1.00 0.00 C ATOM 289 SD MET A 933 11.853 5.489 -4.001 1.00 0.00 S ATOM 290 CE MET A 933 12.138 4.791 -2.376 1.00 0.00 C ATOM 0 H MET A 933 12.314 0.345 -4.658 1.00 0.00 H new ATOM 0 HA MET A 933 12.934 2.396 -6.704 1.00 0.00 H new ATOM 0 HB2 MET A 933 12.580 2.480 -3.721 1.00 0.00 H new ATOM 0 HB3 MET A 933 13.793 3.529 -4.428 1.00 0.00 H new ATOM 0 HG2 MET A 933 11.888 4.265 -6.058 1.00 0.00 H new ATOM 0 HG3 MET A 933 10.808 3.527 -4.892 1.00 0.00 H new ATOM 0 HE1 MET A 933 12.256 5.595 -1.650 1.00 0.00 H new ATOM 0 HE2 MET A 933 11.289 4.169 -2.093 1.00 0.00 H new ATOM 0 HE3 MET A 933 13.043 4.183 -2.395 1.00 0.00 H new ATOM 300 N PRO A 934 15.344 1.848 -6.746 1.00 0.00 N ATOM 301 CA PRO A 934 16.764 1.500 -6.852 1.00 0.00 C ATOM 302 C PRO A 934 17.628 2.283 -5.871 1.00 0.00 C ATOM 303 O PRO A 934 17.169 3.246 -5.256 1.00 0.00 O ATOM 304 CB PRO A 934 17.115 1.877 -8.294 1.00 0.00 C ATOM 305 CG PRO A 934 16.130 2.934 -8.659 1.00 0.00 C ATOM 306 CD PRO A 934 14.864 2.592 -7.923 1.00 0.00 C ATOM 0 HA PRO A 934 16.945 0.452 -6.615 1.00 0.00 H new ATOM 0 HB2 PRO A 934 18.138 2.246 -8.369 1.00 0.00 H new ATOM 0 HB3 PRO A 934 17.037 1.017 -8.958 1.00 0.00 H new ATOM 0 HG2 PRO A 934 16.493 3.921 -8.373 1.00 0.00 H new ATOM 0 HG3 PRO A 934 15.962 2.956 -9.736 1.00 0.00 H new ATOM 0 HD2 PRO A 934 14.312 3.487 -7.635 1.00 0.00 H new ATOM 0 HD3 PRO A 934 14.194 1.988 -8.535 1.00 0.00 H new ATOM 314 N PHE A 935 18.882 1.865 -5.728 1.00 0.00 N ATOM 315 CA PHE A 935 19.810 2.528 -4.820 1.00 0.00 C ATOM 316 C PHE A 935 20.076 3.963 -5.266 1.00 0.00 C ATOM 317 O PHE A 935 20.173 4.874 -4.444 1.00 0.00 O ATOM 318 CB PHE A 935 21.127 1.752 -4.748 1.00 0.00 C ATOM 319 CG PHE A 935 20.947 0.294 -4.438 1.00 0.00 C ATOM 320 CD1 PHE A 935 20.330 -0.108 -3.265 1.00 0.00 C ATOM 321 CD2 PHE A 935 21.395 -0.676 -5.322 1.00 0.00 C ATOM 322 CE1 PHE A 935 20.164 -1.450 -2.977 1.00 0.00 C ATOM 323 CE2 PHE A 935 21.231 -2.019 -5.040 1.00 0.00 C ATOM 324 CZ PHE A 935 20.614 -2.407 -3.867 1.00 0.00 C ATOM 0 H PHE A 935 19.278 1.070 -6.230 1.00 0.00 H new ATOM 0 HA PHE A 935 19.356 2.553 -3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 935 21.650 1.851 -5.699 1.00 0.00 H new ATOM 0 HB3 PHE A 935 21.763 2.202 -3.986 1.00 0.00 H new ATOM 0 HD1 PHE A 935 19.974 0.636 -2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 935 21.878 -0.379 -6.241 1.00 0.00 H new ATOM 0 HE1 PHE A 935 19.683 -1.750 -2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 935 21.585 -2.765 -5.737 1.00 0.00 H new ATOM 0 HZ PHE A 935 20.483 -3.456 -3.646 1.00 0.00 H new ATOM 334 N THR A 936 20.194 4.157 -6.576 1.00 0.00 N ATOM 335 CA THR A 936 20.450 5.479 -7.133 1.00 0.00 C ATOM 336 C THR A 936 19.508 6.519 -6.538 1.00 0.00 C ATOM 337 O THR A 936 19.885 7.675 -6.345 1.00 0.00 O ATOM 338 CB THR A 936 20.297 5.482 -8.666 1.00 0.00 C ATOM 339 OG1 THR A 936 18.961 5.115 -9.026 1.00 0.00 O ATOM 340 CG2 THR A 936 21.283 4.520 -9.310 1.00 0.00 C ATOM 0 H THR A 936 20.116 3.415 -7.271 1.00 0.00 H new ATOM 0 HA THR A 936 21.478 5.736 -6.877 1.00 0.00 H new ATOM 0 HB THR A 936 20.507 6.489 -9.028 1.00 0.00 H new ATOM 0 HG1 THR A 936 18.872 5.121 -10.002 1.00 0.00 H new ATOM 0 HG21 THR A 936 21.156 4.539 -10.392 1.00 0.00 H new ATOM 0 HG22 THR A 936 22.300 4.819 -9.059 1.00 0.00 H new ATOM 0 HG23 THR A 936 21.100 3.511 -8.941 1.00 0.00 H new ATOM 348 N VAL A 937 18.280 6.100 -6.247 1.00 0.00 N ATOM 349 CA VAL A 937 17.284 6.995 -5.671 1.00 0.00 C ATOM 350 C VAL A 937 17.877 7.819 -4.533 1.00 0.00 C ATOM 351 O VAL A 937 18.848 7.409 -3.897 1.00 0.00 O ATOM 352 CB VAL A 937 16.066 6.214 -5.143 1.00 0.00 C ATOM 353 CG1 VAL A 937 15.101 7.148 -4.429 1.00 0.00 C ATOM 354 CG2 VAL A 937 15.369 5.483 -6.281 1.00 0.00 C ATOM 0 H VAL A 937 17.952 5.147 -6.401 1.00 0.00 H new ATOM 0 HA VAL A 937 16.960 7.663 -6.469 1.00 0.00 H new ATOM 0 HB VAL A 937 16.415 5.473 -4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 937 14.247 6.578 -4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 937 15.608 7.622 -3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 937 14.755 7.914 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 937 14.511 4.936 -5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 937 15.032 6.205 -7.025 1.00 0.00 H new ATOM 0 HG23 VAL A 937 16.065 4.783 -6.744 1.00 0.00 H new ATOM 364 N SER A 938 17.287 8.983 -4.282 1.00 0.00 N ATOM 365 CA SER A 938 17.759 9.867 -3.223 1.00 0.00 C ATOM 366 C SER A 938 16.675 10.864 -2.824 1.00 0.00 C ATOM 367 O SER A 938 15.625 10.944 -3.462 1.00 0.00 O ATOM 368 CB SER A 938 19.015 10.615 -3.675 1.00 0.00 C ATOM 369 OG SER A 938 20.163 9.790 -3.576 1.00 0.00 O ATOM 0 H SER A 938 16.481 9.336 -4.798 1.00 0.00 H new ATOM 0 HA SER A 938 18.003 9.255 -2.355 1.00 0.00 H new ATOM 0 HB2 SER A 938 18.892 10.950 -4.705 1.00 0.00 H new ATOM 0 HB3 SER A 938 19.151 11.507 -3.064 1.00 0.00 H new ATOM 0 HG SER A 938 19.889 8.849 -3.555 1.00 0.00 H new ATOM 375 N ILE A 939 16.939 11.622 -1.765 1.00 0.00 N ATOM 376 CA ILE A 939 15.987 12.615 -1.282 1.00 0.00 C ATOM 377 C ILE A 939 15.659 13.636 -2.366 1.00 0.00 C ATOM 378 O ILE A 939 14.503 14.022 -2.540 1.00 0.00 O ATOM 379 CB ILE A 939 16.526 13.354 -0.043 1.00 0.00 C ATOM 380 CG1 ILE A 939 16.729 12.374 1.115 1.00 0.00 C ATOM 381 CG2 ILE A 939 15.576 14.471 0.363 1.00 0.00 C ATOM 382 CD1 ILE A 939 17.671 12.886 2.182 1.00 0.00 C ATOM 0 H ILE A 939 17.803 11.568 -1.226 1.00 0.00 H new ATOM 0 HA ILE A 939 15.080 12.076 -1.008 1.00 0.00 H new ATOM 0 HB ILE A 939 17.490 13.796 -0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 939 15.763 12.156 1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 939 17.116 11.434 0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 939 15.971 14.984 1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 939 15.477 15.181 -0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 939 14.599 14.050 0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 939 17.767 12.140 2.971 1.00 0.00 H new ATOM 0 HD12 ILE A 939 18.650 13.077 1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 939 17.276 13.810 2.603 1.00 0.00 H new ATOM 394 N ASP A 940 16.683 14.068 -3.093 1.00 0.00 N ATOM 395 CA ASP A 940 16.504 15.042 -4.163 1.00 0.00 C ATOM 396 C ASP A 940 15.613 14.480 -5.267 1.00 0.00 C ATOM 397 O ASP A 940 14.703 15.155 -5.746 1.00 0.00 O ATOM 398 CB ASP A 940 17.859 15.450 -4.743 1.00 0.00 C ATOM 399 CG ASP A 940 17.726 16.424 -5.897 1.00 0.00 C ATOM 400 OD1 ASP A 940 17.447 17.614 -5.639 1.00 0.00 O ATOM 401 OD2 ASP A 940 17.900 15.997 -7.058 1.00 0.00 O ATOM 0 H ASP A 940 17.646 13.759 -2.961 1.00 0.00 H new ATOM 0 HA ASP A 940 16.018 15.922 -3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 940 18.465 15.902 -3.958 1.00 0.00 H new ATOM 0 HB3 ASP A 940 18.389 14.560 -5.082 1.00 0.00 H new ATOM 406 N GLU A 941 15.884 13.241 -5.665 1.00 0.00 N ATOM 407 CA GLU A 941 15.107 12.589 -6.713 1.00 0.00 C ATOM 408 C GLU A 941 13.660 12.390 -6.274 1.00 0.00 C ATOM 409 O GLU A 941 12.729 12.595 -7.054 1.00 0.00 O ATOM 410 CB GLU A 941 15.731 11.241 -7.078 1.00 0.00 C ATOM 411 CG GLU A 941 17.061 11.362 -7.803 1.00 0.00 C ATOM 412 CD GLU A 941 17.397 10.126 -8.615 1.00 0.00 C ATOM 413 OE1 GLU A 941 16.710 9.097 -8.441 1.00 0.00 O ATOM 414 OE2 GLU A 941 18.346 10.187 -9.425 1.00 0.00 O ATOM 0 H GLU A 941 16.635 12.669 -5.278 1.00 0.00 H new ATOM 0 HA GLU A 941 15.116 13.235 -7.591 1.00 0.00 H new ATOM 0 HB2 GLU A 941 15.875 10.658 -6.168 1.00 0.00 H new ATOM 0 HB3 GLU A 941 15.034 10.686 -7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 941 17.033 12.229 -8.463 1.00 0.00 H new ATOM 0 HG3 GLU A 941 17.853 11.540 -7.075 1.00 0.00 H new ATOM 421 N ILE A 942 13.478 11.989 -5.020 1.00 0.00 N ATOM 422 CA ILE A 942 12.145 11.762 -4.477 1.00 0.00 C ATOM 423 C ILE A 942 11.342 13.058 -4.431 1.00 0.00 C ATOM 424 O ILE A 942 10.191 13.104 -4.867 1.00 0.00 O ATOM 425 CB ILE A 942 12.209 11.160 -3.060 1.00 0.00 C ATOM 426 CG1 ILE A 942 12.790 9.746 -3.109 1.00 0.00 C ATOM 427 CG2 ILE A 942 10.826 11.149 -2.427 1.00 0.00 C ATOM 428 CD1 ILE A 942 13.436 9.313 -1.812 1.00 0.00 C ATOM 0 H ILE A 942 14.237 11.815 -4.361 1.00 0.00 H new ATOM 0 HA ILE A 942 11.650 11.054 -5.142 1.00 0.00 H new ATOM 0 HB ILE A 942 12.863 11.780 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 942 11.995 9.044 -3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 942 13.529 9.693 -3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 942 10.887 10.721 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 942 10.447 12.169 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 942 10.151 10.549 -3.038 1.00 0.00 H new ATOM 0 HD11 ILE A 942 13.826 8.301 -1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 942 14.253 9.992 -1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 942 12.696 9.333 -1.012 1.00 0.00 H new ATOM 440 N LEU A 943 11.957 14.109 -3.902 1.00 0.00 N ATOM 441 CA LEU A 943 11.301 15.408 -3.800 1.00 0.00 C ATOM 442 C LEU A 943 10.901 15.925 -5.178 1.00 0.00 C ATOM 443 O LEU A 943 9.807 16.462 -5.357 1.00 0.00 O ATOM 444 CB LEU A 943 12.225 16.416 -3.114 1.00 0.00 C ATOM 445 CG LEU A 943 12.168 16.446 -1.586 1.00 0.00 C ATOM 446 CD1 LEU A 943 13.232 17.381 -1.030 1.00 0.00 C ATOM 447 CD2 LEU A 943 10.785 16.866 -1.111 1.00 0.00 C ATOM 0 H LEU A 943 12.909 14.088 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 943 10.398 15.285 -3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 943 13.251 16.202 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 943 11.984 17.412 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 943 12.367 15.441 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 943 13.176 17.389 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 943 14.218 17.035 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 943 13.065 18.389 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 943 10.764 16.882 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 943 10.556 17.861 -1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 943 10.043 16.157 -1.478 1.00 0.00 H new ATOM 459 N ASP A 944 11.792 15.758 -6.149 1.00 0.00 N ATOM 460 CA ASP A 944 11.530 16.204 -7.512 1.00 0.00 C ATOM 461 C ASP A 944 10.493 15.312 -8.187 1.00 0.00 C ATOM 462 O ASP A 944 9.722 15.767 -9.032 1.00 0.00 O ATOM 463 CB ASP A 944 12.824 16.210 -8.327 1.00 0.00 C ATOM 464 CG ASP A 944 12.809 17.249 -9.431 1.00 0.00 C ATOM 465 OD1 ASP A 944 11.823 17.286 -10.196 1.00 0.00 O ATOM 466 OD2 ASP A 944 13.784 18.023 -9.531 1.00 0.00 O ATOM 0 H ASP A 944 12.702 15.317 -6.017 1.00 0.00 H new ATOM 0 HA ASP A 944 11.134 17.219 -7.466 1.00 0.00 H new ATOM 0 HB2 ASP A 944 13.667 16.402 -7.663 1.00 0.00 H new ATOM 0 HB3 ASP A 944 12.980 15.223 -8.763 1.00 0.00 H new ATOM 471 N PHE A 945 10.482 14.037 -7.810 1.00 0.00 N ATOM 472 CA PHE A 945 9.541 13.080 -8.380 1.00 0.00 C ATOM 473 C PHE A 945 8.106 13.441 -8.009 1.00 0.00 C ATOM 474 O PHE A 945 7.187 13.283 -8.814 1.00 0.00 O ATOM 475 CB PHE A 945 9.865 11.665 -7.895 1.00 0.00 C ATOM 476 CG PHE A 945 8.847 10.642 -8.311 1.00 0.00 C ATOM 477 CD1 PHE A 945 7.616 10.573 -7.679 1.00 0.00 C ATOM 478 CD2 PHE A 945 9.122 9.748 -9.334 1.00 0.00 C ATOM 479 CE1 PHE A 945 6.678 9.632 -8.060 1.00 0.00 C ATOM 480 CE2 PHE A 945 8.188 8.805 -9.719 1.00 0.00 C ATOM 481 CZ PHE A 945 6.964 8.747 -9.082 1.00 0.00 C ATOM 0 H PHE A 945 11.114 13.643 -7.113 1.00 0.00 H new ATOM 0 HA PHE A 945 9.636 13.116 -9.465 1.00 0.00 H new ATOM 0 HB2 PHE A 945 10.842 11.372 -8.280 1.00 0.00 H new ATOM 0 HB3 PHE A 945 9.940 11.670 -6.808 1.00 0.00 H new ATOM 0 HD1 PHE A 945 7.387 11.262 -6.880 1.00 0.00 H new ATOM 0 HD2 PHE A 945 10.077 9.789 -9.836 1.00 0.00 H new ATOM 0 HE1 PHE A 945 5.722 9.588 -7.559 1.00 0.00 H new ATOM 0 HE2 PHE A 945 8.415 8.114 -10.517 1.00 0.00 H new ATOM 0 HZ PHE A 945 6.232 8.012 -9.382 1.00 0.00 H new ATOM 491 N PHE A 946 7.921 13.925 -6.786 1.00 0.00 N ATOM 492 CA PHE A 946 6.598 14.308 -6.307 1.00 0.00 C ATOM 493 C PHE A 946 6.329 15.786 -6.573 1.00 0.00 C ATOM 494 O PHE A 946 5.400 16.370 -6.014 1.00 0.00 O ATOM 495 CB PHE A 946 6.469 14.015 -4.811 1.00 0.00 C ATOM 496 CG PHE A 946 6.236 12.564 -4.501 1.00 0.00 C ATOM 497 CD1 PHE A 946 4.961 12.025 -4.563 1.00 0.00 C ATOM 498 CD2 PHE A 946 7.291 11.739 -4.147 1.00 0.00 C ATOM 499 CE1 PHE A 946 4.742 10.691 -4.279 1.00 0.00 C ATOM 500 CE2 PHE A 946 7.079 10.403 -3.863 1.00 0.00 C ATOM 501 CZ PHE A 946 5.803 9.879 -3.928 1.00 0.00 C ATOM 0 H PHE A 946 8.671 14.062 -6.108 1.00 0.00 H new ATOM 0 HA PHE A 946 5.859 13.720 -6.850 1.00 0.00 H new ATOM 0 HB2 PHE A 946 7.376 14.345 -4.305 1.00 0.00 H new ATOM 0 HB3 PHE A 946 5.646 14.602 -4.404 1.00 0.00 H new ATOM 0 HD1 PHE A 946 4.128 12.656 -4.837 1.00 0.00 H new ATOM 0 HD2 PHE A 946 8.291 12.144 -4.092 1.00 0.00 H new ATOM 0 HE1 PHE A 946 3.743 10.284 -4.331 1.00 0.00 H new ATOM 0 HE2 PHE A 946 7.910 9.770 -3.591 1.00 0.00 H new ATOM 0 HZ PHE A 946 5.635 8.836 -3.705 1.00 0.00 H new ATOM 511 N TYR A 947 7.149 16.385 -7.429 1.00 0.00 N ATOM 512 CA TYR A 947 7.003 17.796 -7.767 1.00 0.00 C ATOM 513 C TYR A 947 5.571 18.110 -8.189 1.00 0.00 C ATOM 514 O TYR A 947 4.827 17.224 -8.608 1.00 0.00 O ATOM 515 CB TYR A 947 7.972 18.176 -8.888 1.00 0.00 C ATOM 516 CG TYR A 947 8.099 19.668 -9.099 1.00 0.00 C ATOM 517 CD1 TYR A 947 8.800 20.460 -8.198 1.00 0.00 C ATOM 518 CD2 TYR A 947 7.517 20.286 -10.199 1.00 0.00 C ATOM 519 CE1 TYR A 947 8.918 21.823 -8.386 1.00 0.00 C ATOM 520 CE2 TYR A 947 7.631 21.649 -10.396 1.00 0.00 C ATOM 521 CZ TYR A 947 8.332 22.413 -9.486 1.00 0.00 C ATOM 522 OH TYR A 947 8.446 23.771 -9.678 1.00 0.00 O ATOM 0 H TYR A 947 7.922 15.916 -7.902 1.00 0.00 H new ATOM 0 HA TYR A 947 7.237 18.382 -6.879 1.00 0.00 H new ATOM 0 HB2 TYR A 947 8.956 17.765 -8.662 1.00 0.00 H new ATOM 0 HB3 TYR A 947 7.639 17.713 -9.817 1.00 0.00 H new ATOM 0 HD1 TYR A 947 9.261 20.002 -7.335 1.00 0.00 H new ATOM 0 HD2 TYR A 947 6.966 19.691 -10.912 1.00 0.00 H new ATOM 0 HE1 TYR A 947 9.466 22.424 -7.675 1.00 0.00 H new ATOM 0 HE2 TYR A 947 7.174 22.113 -11.257 1.00 0.00 H new ATOM 0 HH TYR A 947 7.977 24.026 -10.500 1.00 0.00 H new ATOM 532 N GLY A 948 5.192 19.379 -8.076 1.00 0.00 N ATOM 533 CA GLY A 948 3.851 19.789 -8.450 1.00 0.00 C ATOM 534 C GLY A 948 2.853 19.601 -7.325 1.00 0.00 C ATOM 535 O GLY A 948 1.998 20.457 -7.095 1.00 0.00 O ATOM 0 H GLY A 948 5.790 20.131 -7.732 1.00 0.00 H new ATOM 0 HA2 GLY A 948 3.865 20.837 -8.748 1.00 0.00 H new ATOM 0 HA3 GLY A 948 3.528 19.215 -9.318 1.00 0.00 H new ATOM 539 N TYR A 949 2.959 18.477 -6.624 1.00 0.00 N ATOM 540 CA TYR A 949 2.055 18.177 -5.520 1.00 0.00 C ATOM 541 C TYR A 949 2.582 18.760 -4.211 1.00 0.00 C ATOM 542 O TYR A 949 3.785 18.744 -3.953 1.00 0.00 O ATOM 543 CB TYR A 949 1.871 16.665 -5.381 1.00 0.00 C ATOM 544 CG TYR A 949 1.234 16.019 -6.590 1.00 0.00 C ATOM 545 CD1 TYR A 949 -0.090 16.278 -6.924 1.00 0.00 C ATOM 546 CD2 TYR A 949 1.955 15.149 -7.398 1.00 0.00 C ATOM 547 CE1 TYR A 949 -0.676 15.690 -8.028 1.00 0.00 C ATOM 548 CE2 TYR A 949 1.377 14.557 -8.504 1.00 0.00 C ATOM 549 CZ TYR A 949 0.061 14.830 -8.815 1.00 0.00 C ATOM 550 OH TYR A 949 -0.518 14.241 -9.915 1.00 0.00 O ATOM 0 H TYR A 949 3.662 17.759 -6.801 1.00 0.00 H new ATOM 0 HA TYR A 949 1.090 18.635 -5.738 1.00 0.00 H new ATOM 0 HB2 TYR A 949 2.843 16.204 -5.203 1.00 0.00 H new ATOM 0 HB3 TYR A 949 1.256 16.461 -4.504 1.00 0.00 H new ATOM 0 HD1 TYR A 949 -0.671 16.950 -6.310 1.00 0.00 H new ATOM 0 HD2 TYR A 949 2.985 14.932 -7.157 1.00 0.00 H new ATOM 0 HE1 TYR A 949 -1.706 15.903 -8.274 1.00 0.00 H new ATOM 0 HE2 TYR A 949 1.952 13.884 -9.122 1.00 0.00 H new ATOM 0 HH TYR A 949 0.061 14.366 -10.696 1.00 0.00 H new ATOM 560 N GLN A 950 1.670 19.272 -3.390 1.00 0.00 N ATOM 561 CA GLN A 950 2.042 19.859 -2.109 1.00 0.00 C ATOM 562 C GLN A 950 2.438 18.778 -1.108 1.00 0.00 C ATOM 563 O GLN A 950 1.608 18.299 -0.335 1.00 0.00 O ATOM 564 CB GLN A 950 0.885 20.689 -1.550 1.00 0.00 C ATOM 565 CG GLN A 950 0.587 21.940 -2.360 1.00 0.00 C ATOM 566 CD GLN A 950 1.543 23.076 -2.052 1.00 0.00 C ATOM 567 OE1 GLN A 950 2.232 23.064 -1.032 1.00 0.00 O ATOM 568 NE2 GLN A 950 1.590 24.066 -2.936 1.00 0.00 N ATOM 0 H GLN A 950 0.670 19.292 -3.589 1.00 0.00 H new ATOM 0 HA GLN A 950 2.902 20.509 -2.272 1.00 0.00 H new ATOM 0 HB2 GLN A 950 -0.011 20.069 -1.512 1.00 0.00 H new ATOM 0 HB3 GLN A 950 1.117 20.977 -0.525 1.00 0.00 H new ATOM 0 HG2 GLN A 950 0.642 21.702 -3.422 1.00 0.00 H new ATOM 0 HG3 GLN A 950 -0.434 22.264 -2.158 1.00 0.00 H new ATOM 0 HE21 GLN A 950 1.001 24.035 -3.768 1.00 0.00 H new ATOM 0 HE22 GLN A 950 2.215 24.857 -2.783 1.00 0.00 H new ATOM 577 N VAL A 951 3.711 18.396 -1.129 1.00 0.00 N ATOM 578 CA VAL A 951 4.217 17.372 -0.224 1.00 0.00 C ATOM 579 C VAL A 951 4.558 17.963 1.139 1.00 0.00 C ATOM 580 O VAL A 951 5.326 18.920 1.238 1.00 0.00 O ATOM 581 CB VAL A 951 5.468 16.682 -0.800 1.00 0.00 C ATOM 582 CG1 VAL A 951 6.067 15.725 0.220 1.00 0.00 C ATOM 583 CG2 VAL A 951 5.128 15.954 -2.091 1.00 0.00 C ATOM 0 H VAL A 951 4.411 18.781 -1.763 1.00 0.00 H new ATOM 0 HA VAL A 951 3.425 16.633 -0.108 1.00 0.00 H new ATOM 0 HB VAL A 951 6.212 17.446 -1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 951 6.950 15.247 -0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 951 6.349 16.278 1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 951 5.332 14.964 0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 951 6.023 15.472 -2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 951 4.367 15.199 -1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 951 4.749 16.668 -2.822 1.00 0.00 H new ATOM 593 N ILE A 952 3.981 17.386 2.189 1.00 0.00 N ATOM 594 CA ILE A 952 4.225 17.855 3.547 1.00 0.00 C ATOM 595 C ILE A 952 5.720 17.956 3.834 1.00 0.00 C ATOM 596 O ILE A 952 6.500 17.060 3.512 1.00 0.00 O ATOM 597 CB ILE A 952 3.576 16.926 4.589 1.00 0.00 C ATOM 598 CG1 ILE A 952 2.056 16.911 4.414 1.00 0.00 C ATOM 599 CG2 ILE A 952 3.948 17.366 5.997 1.00 0.00 C ATOM 600 CD1 ILE A 952 1.362 15.853 5.244 1.00 0.00 C ATOM 0 H ILE A 952 3.342 16.594 2.125 1.00 0.00 H new ATOM 0 HA ILE A 952 3.775 18.845 3.624 1.00 0.00 H new ATOM 0 HB ILE A 952 3.951 15.914 4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 952 1.658 17.890 4.681 1.00 0.00 H new ATOM 0 HG13 ILE A 952 1.821 16.748 3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 952 3.481 16.699 6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 952 5.031 17.330 6.115 1.00 0.00 H new ATOM 0 HG23 ILE A 952 3.599 18.385 6.164 1.00 0.00 H new ATOM 0 HD11 ILE A 952 0.287 15.901 5.070 1.00 0.00 H new ATOM 0 HD12 ILE A 952 1.732 14.868 4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 952 1.566 16.027 6.300 1.00 0.00 H new ATOM 612 N PRO A 953 6.129 19.072 4.456 1.00 0.00 N ATOM 613 CA PRO A 953 7.532 19.315 4.802 1.00 0.00 C ATOM 614 C PRO A 953 8.022 18.397 5.916 1.00 0.00 C ATOM 615 O PRO A 953 7.522 18.446 7.039 1.00 0.00 O ATOM 616 CB PRO A 953 7.534 20.773 5.271 1.00 0.00 C ATOM 617 CG PRO A 953 6.143 21.020 5.743 1.00 0.00 C ATOM 618 CD PRO A 953 5.253 20.181 4.869 1.00 0.00 C ATOM 0 HA PRO A 953 8.198 19.122 3.961 1.00 0.00 H new ATOM 0 HB2 PRO A 953 8.257 20.931 6.071 1.00 0.00 H new ATOM 0 HB3 PRO A 953 7.803 21.450 4.460 1.00 0.00 H new ATOM 0 HG2 PRO A 953 6.032 20.744 6.792 1.00 0.00 H new ATOM 0 HG3 PRO A 953 5.885 22.076 5.662 1.00 0.00 H new ATOM 0 HD2 PRO A 953 4.379 19.822 5.412 1.00 0.00 H new ATOM 0 HD3 PRO A 953 4.886 20.744 4.011 1.00 0.00 H new ATOM 626 N GLY A 954 9.005 17.559 5.598 1.00 0.00 N ATOM 627 CA GLY A 954 9.546 16.642 6.584 1.00 0.00 C ATOM 628 C GLY A 954 8.764 15.345 6.660 1.00 0.00 C ATOM 629 O GLY A 954 8.767 14.670 7.689 1.00 0.00 O ATOM 0 H GLY A 954 9.436 17.499 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 954 10.585 16.422 6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 954 9.543 17.122 7.562 1.00 0.00 H new ATOM 633 N SER A 955 8.091 14.997 5.568 1.00 0.00 N ATOM 634 CA SER A 955 7.296 13.775 5.517 1.00 0.00 C ATOM 635 C SER A 955 8.111 12.621 4.942 1.00 0.00 C ATOM 636 O SER A 955 8.179 11.541 5.530 1.00 0.00 O ATOM 637 CB SER A 955 6.038 13.995 4.675 1.00 0.00 C ATOM 638 OG SER A 955 6.371 14.348 3.343 1.00 0.00 O ATOM 0 H SER A 955 8.080 15.544 4.707 1.00 0.00 H new ATOM 0 HA SER A 955 7.003 13.518 6.535 1.00 0.00 H new ATOM 0 HB2 SER A 955 5.434 13.088 4.674 1.00 0.00 H new ATOM 0 HB3 SER A 955 5.430 14.782 5.122 1.00 0.00 H new ATOM 0 HG SER A 955 6.556 15.309 3.296 1.00 0.00 H new ATOM 644 N VAL A 956 8.730 12.857 3.790 1.00 0.00 N ATOM 645 CA VAL A 956 9.542 11.838 3.135 1.00 0.00 C ATOM 646 C VAL A 956 10.349 11.041 4.153 1.00 0.00 C ATOM 647 O VAL A 956 11.244 11.577 4.808 1.00 0.00 O ATOM 648 CB VAL A 956 10.505 12.463 2.108 1.00 0.00 C ATOM 649 CG1 VAL A 956 11.407 11.397 1.505 1.00 0.00 C ATOM 650 CG2 VAL A 956 9.726 13.190 1.022 1.00 0.00 C ATOM 0 H VAL A 956 8.685 13.745 3.291 1.00 0.00 H new ATOM 0 HA VAL A 956 8.854 11.169 2.617 1.00 0.00 H new ATOM 0 HB VAL A 956 11.134 13.190 2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 956 12.080 11.857 0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 956 11.991 10.925 2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 956 10.797 10.644 1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 956 10.422 13.626 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 956 9.071 12.485 0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 956 9.126 13.981 1.472 1.00 0.00 H new ATOM 660 N CYS A 957 10.028 9.758 4.281 1.00 0.00 N ATOM 661 CA CYS A 957 10.724 8.886 5.220 1.00 0.00 C ATOM 662 C CYS A 957 11.329 7.685 4.500 1.00 0.00 C ATOM 663 O CYS A 957 10.610 6.797 4.039 1.00 0.00 O ATOM 664 CB CYS A 957 9.765 8.411 6.313 1.00 0.00 C ATOM 665 SG CYS A 957 10.576 7.992 7.874 1.00 0.00 S ATOM 0 H CYS A 957 9.290 9.299 3.746 1.00 0.00 H new ATOM 0 HA CYS A 957 11.532 9.457 5.678 1.00 0.00 H new ATOM 0 HB2 CYS A 957 9.026 9.191 6.497 1.00 0.00 H new ATOM 0 HB3 CYS A 957 9.223 7.537 5.951 1.00 0.00 H new ATOM 0 HG CYS A 957 9.684 7.604 8.736 1.00 0.00 H new ATOM 671 N LEU A 958 12.654 7.664 4.406 1.00 0.00 N ATOM 672 CA LEU A 958 13.357 6.573 3.741 1.00 0.00 C ATOM 673 C LEU A 958 13.516 5.378 4.676 1.00 0.00 C ATOM 674 O LEU A 958 13.849 5.535 5.850 1.00 0.00 O ATOM 675 CB LEU A 958 14.730 7.043 3.258 1.00 0.00 C ATOM 676 CG LEU A 958 14.744 7.847 1.957 1.00 0.00 C ATOM 677 CD1 LEU A 958 16.057 8.600 1.809 1.00 0.00 C ATOM 678 CD2 LEU A 958 14.514 6.932 0.762 1.00 0.00 C ATOM 0 H LEU A 958 13.263 8.391 4.782 1.00 0.00 H new ATOM 0 HA LEU A 958 12.763 6.262 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 958 15.181 7.651 4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 958 15.367 6.168 3.128 1.00 0.00 H new ATOM 0 HG LEU A 958 13.934 8.575 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 958 16.049 9.166 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 958 16.181 9.284 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 958 16.884 7.890 1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 958 14.527 7.521 -0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 958 15.303 6.181 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 958 13.547 6.438 0.862 1.00 0.00 H new ATOM 690 N LYS A 959 13.278 4.183 4.146 1.00 0.00 N ATOM 691 CA LYS A 959 13.398 2.960 4.930 1.00 0.00 C ATOM 692 C LYS A 959 14.693 2.225 4.598 1.00 0.00 C ATOM 693 O LYS A 959 15.088 2.137 3.435 1.00 0.00 O ATOM 694 CB LYS A 959 12.200 2.044 4.672 1.00 0.00 C ATOM 695 CG LYS A 959 11.997 0.990 5.746 1.00 0.00 C ATOM 696 CD LYS A 959 11.364 1.581 6.995 1.00 0.00 C ATOM 697 CE LYS A 959 9.850 1.648 6.874 1.00 0.00 C ATOM 698 NZ LYS A 959 9.216 0.320 7.101 1.00 0.00 N ATOM 0 H LYS A 959 13.001 4.036 3.176 1.00 0.00 H new ATOM 0 HA LYS A 959 13.417 3.236 5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 959 11.298 2.652 4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 959 12.332 1.549 3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 959 11.364 0.192 5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 959 12.956 0.540 6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 959 11.634 0.978 7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 959 11.761 2.582 7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 959 9.459 2.365 7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 959 9.581 2.014 5.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 8.336 0.257 6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 9.868 -0.432 6.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 9.000 0.207 8.112 1.00 0.00 H new ATOM 712 N TYR A 960 15.350 1.699 5.626 1.00 0.00 N ATOM 713 CA TYR A 960 16.601 0.973 5.443 1.00 0.00 C ATOM 714 C TYR A 960 16.548 -0.386 6.134 1.00 0.00 C ATOM 715 O TYR A 960 15.584 -0.705 6.829 1.00 0.00 O ATOM 716 CB TYR A 960 17.773 1.790 5.988 1.00 0.00 C ATOM 717 CG TYR A 960 17.803 3.216 5.487 1.00 0.00 C ATOM 718 CD1 TYR A 960 17.026 4.200 6.085 1.00 0.00 C ATOM 719 CD2 TYR A 960 18.610 3.579 4.415 1.00 0.00 C ATOM 720 CE1 TYR A 960 17.050 5.504 5.629 1.00 0.00 C ATOM 721 CE2 TYR A 960 18.641 4.881 3.954 1.00 0.00 C ATOM 722 CZ TYR A 960 17.859 5.839 4.564 1.00 0.00 C ATOM 723 OH TYR A 960 17.886 7.138 4.108 1.00 0.00 O ATOM 0 H TYR A 960 15.037 1.762 6.595 1.00 0.00 H new ATOM 0 HA TYR A 960 16.745 0.811 4.375 1.00 0.00 H new ATOM 0 HB2 TYR A 960 17.724 1.797 7.077 1.00 0.00 H new ATOM 0 HB3 TYR A 960 18.706 1.298 5.714 1.00 0.00 H new ATOM 0 HD1 TYR A 960 16.392 3.941 6.921 1.00 0.00 H new ATOM 0 HD2 TYR A 960 19.223 2.831 3.934 1.00 0.00 H new ATOM 0 HE1 TYR A 960 16.438 6.257 6.104 1.00 0.00 H new ATOM 0 HE2 TYR A 960 19.274 5.147 3.121 1.00 0.00 H new ATOM 0 HH TYR A 960 18.507 7.207 3.353 1.00 0.00 H new ATOM 733 N ASN A 961 17.593 -1.184 5.937 1.00 0.00 N ATOM 734 CA ASN A 961 17.667 -2.509 6.541 1.00 0.00 C ATOM 735 C ASN A 961 18.518 -2.483 7.807 1.00 0.00 C ATOM 736 O ASN A 961 19.083 -1.451 8.166 1.00 0.00 O ATOM 737 CB ASN A 961 18.247 -3.515 5.544 1.00 0.00 C ATOM 738 CG ASN A 961 19.446 -2.963 4.797 1.00 0.00 C ATOM 739 OD1 ASN A 961 19.979 -1.910 5.147 1.00 0.00 O ATOM 740 ND2 ASN A 961 19.876 -3.674 3.762 1.00 0.00 N ATOM 0 H ASN A 961 18.400 -0.936 5.364 1.00 0.00 H new ATOM 0 HA ASN A 961 16.656 -2.815 6.810 1.00 0.00 H new ATOM 0 HB2 ASN A 961 18.539 -4.421 6.075 1.00 0.00 H new ATOM 0 HB3 ASN A 961 17.476 -3.799 4.828 1.00 0.00 H new ATOM 0 HD21 ASN A 961 20.679 -3.353 3.221 1.00 0.00 H new ATOM 0 HD22 ASN A 961 19.403 -4.541 3.508 1.00 0.00 H new ATOM 747 N GLU A 962 18.605 -3.627 8.479 1.00 0.00 N ATOM 748 CA GLU A 962 19.387 -3.735 9.705 1.00 0.00 C ATOM 749 C GLU A 962 20.834 -3.312 9.466 1.00 0.00 C ATOM 750 O GLU A 962 21.480 -2.743 10.346 1.00 0.00 O ATOM 751 CB GLU A 962 19.345 -5.168 10.239 1.00 0.00 C ATOM 752 CG GLU A 962 19.910 -6.195 9.271 1.00 0.00 C ATOM 753 CD GLU A 962 21.412 -6.355 9.401 1.00 0.00 C ATOM 754 OE1 GLU A 962 22.050 -5.479 10.022 1.00 0.00 O ATOM 755 OE2 GLU A 962 21.950 -7.355 8.882 1.00 0.00 O ATOM 0 H GLU A 962 18.144 -4.491 8.195 1.00 0.00 H new ATOM 0 HA GLU A 962 18.948 -3.066 10.445 1.00 0.00 H new ATOM 0 HB2 GLU A 962 19.905 -5.215 11.173 1.00 0.00 H new ATOM 0 HB3 GLU A 962 18.313 -5.430 10.472 1.00 0.00 H new ATOM 0 HG2 GLU A 962 19.429 -7.157 9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 962 19.667 -5.899 8.250 1.00 0.00 H new ATOM 762 N LYS A 963 21.337 -3.594 8.269 1.00 0.00 N ATOM 763 CA LYS A 963 22.707 -3.244 7.912 1.00 0.00 C ATOM 764 C LYS A 963 22.871 -1.731 7.808 1.00 0.00 C ATOM 765 O LYS A 963 23.831 -1.164 8.328 1.00 0.00 O ATOM 766 CB LYS A 963 23.094 -3.902 6.586 1.00 0.00 C ATOM 767 CG LYS A 963 22.755 -5.381 6.519 1.00 0.00 C ATOM 768 CD LYS A 963 21.428 -5.617 5.818 1.00 0.00 C ATOM 769 CE LYS A 963 21.408 -6.957 5.099 1.00 0.00 C ATOM 770 NZ LYS A 963 21.768 -8.080 6.009 1.00 0.00 N ATOM 0 H LYS A 963 20.816 -4.064 7.529 1.00 0.00 H new ATOM 0 HA LYS A 963 23.367 -3.611 8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 963 22.587 -3.384 5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 963 24.165 -3.776 6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 963 23.546 -5.913 5.991 1.00 0.00 H new ATOM 0 HG3 LYS A 963 22.713 -5.792 7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 963 20.619 -5.582 6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 963 21.246 -4.816 5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 963 20.416 -7.131 4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 963 22.105 -6.930 4.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 963 21.107 -8.870 5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 963 22.737 -8.397 5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 963 21.712 -7.758 6.996 1.00 0.00 H new ATOM 784 N GLY A 964 21.927 -1.082 7.133 1.00 0.00 N ATOM 785 CA GLY A 964 21.986 0.359 6.974 1.00 0.00 C ATOM 786 C GLY A 964 21.602 0.805 5.578 1.00 0.00 C ATOM 787 O GLY A 964 21.112 1.918 5.387 1.00 0.00 O ATOM 0 H GLY A 964 21.122 -1.529 6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 964 21.320 0.829 7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 964 22.995 0.705 7.198 1.00 0.00 H new ATOM 791 N MET A 965 21.826 -0.065 4.598 1.00 0.00 N ATOM 792 CA MET A 965 21.500 0.246 3.211 1.00 0.00 C ATOM 793 C MET A 965 19.997 0.441 3.036 1.00 0.00 C ATOM 794 O MET A 965 19.185 -0.102 3.786 1.00 0.00 O ATOM 795 CB MET A 965 21.992 -0.869 2.287 1.00 0.00 C ATOM 796 CG MET A 965 23.498 -1.071 2.327 1.00 0.00 C ATOM 797 SD MET A 965 24.076 -2.239 1.080 1.00 0.00 S ATOM 798 CE MET A 965 23.901 -1.259 -0.409 1.00 0.00 C ATOM 0 H MET A 965 22.232 -0.990 4.739 1.00 0.00 H new ATOM 0 HA MET A 965 22.002 1.176 2.946 1.00 0.00 H new ATOM 0 HB2 MET A 965 21.501 -1.802 2.564 1.00 0.00 H new ATOM 0 HB3 MET A 965 21.691 -0.641 1.264 1.00 0.00 H new ATOM 0 HG2 MET A 965 23.993 -0.112 2.178 1.00 0.00 H new ATOM 0 HG3 MET A 965 23.787 -1.428 3.315 1.00 0.00 H new ATOM 0 HE1 MET A 965 24.456 -1.729 -1.221 1.00 0.00 H new ATOM 0 HE2 MET A 965 22.847 -1.194 -0.680 1.00 0.00 H new ATOM 0 HE3 MET A 965 24.293 -0.257 -0.233 1.00 0.00 H new ATOM 808 N PRO A 966 19.616 1.234 2.024 1.00 0.00 N ATOM 809 CA PRO A 966 18.208 1.518 1.728 1.00 0.00 C ATOM 810 C PRO A 966 17.474 0.300 1.179 1.00 0.00 C ATOM 811 O PRO A 966 18.044 -0.499 0.434 1.00 0.00 O ATOM 812 CB PRO A 966 18.284 2.620 0.667 1.00 0.00 C ATOM 813 CG PRO A 966 19.611 2.428 0.016 1.00 0.00 C ATOM 814 CD PRO A 966 20.529 1.915 1.091 1.00 0.00 C ATOM 0 HA PRO A 966 17.653 1.805 2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 966 17.472 2.531 -0.055 1.00 0.00 H new ATOM 0 HB3 PRO A 966 18.203 3.609 1.117 1.00 0.00 H new ATOM 0 HG2 PRO A 966 19.542 1.719 -0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 966 19.981 3.365 -0.399 1.00 0.00 H new ATOM 0 HD2 PRO A 966 21.276 1.231 0.689 1.00 0.00 H new ATOM 0 HD3 PRO A 966 21.070 2.726 1.578 1.00 0.00 H new ATOM 822 N THR A 967 16.205 0.162 1.550 1.00 0.00 N ATOM 823 CA THR A 967 15.393 -0.959 1.095 1.00 0.00 C ATOM 824 C THR A 967 14.499 -0.554 -0.071 1.00 0.00 C ATOM 825 O THR A 967 13.355 -0.994 -0.171 1.00 0.00 O ATOM 826 CB THR A 967 14.514 -1.514 2.232 1.00 0.00 C ATOM 827 OG1 THR A 967 13.768 -0.452 2.837 1.00 0.00 O ATOM 828 CG2 THR A 967 15.365 -2.206 3.286 1.00 0.00 C ATOM 0 H THR A 967 15.717 0.813 2.165 1.00 0.00 H new ATOM 0 HA THR A 967 16.084 -1.736 0.767 1.00 0.00 H new ATOM 0 HB THR A 967 13.826 -2.245 1.806 1.00 0.00 H new ATOM 0 HG1 THR A 967 13.211 -0.813 3.558 1.00 0.00 H new ATOM 0 HG21 THR A 967 14.722 -2.590 4.078 1.00 0.00 H new ATOM 0 HG22 THR A 967 15.910 -3.032 2.829 1.00 0.00 H new ATOM 0 HG23 THR A 967 16.074 -1.493 3.707 1.00 0.00 H new ATOM 836 N GLY A 968 15.030 0.288 -0.953 1.00 0.00 N ATOM 837 CA GLY A 968 14.266 0.739 -2.101 1.00 0.00 C ATOM 838 C GLY A 968 12.814 1.011 -1.761 1.00 0.00 C ATOM 839 O GLY A 968 11.915 0.654 -2.522 1.00 0.00 O ATOM 0 H GLY A 968 15.976 0.666 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 968 14.718 1.647 -2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 968 14.317 -0.015 -2.886 1.00 0.00 H new ATOM 843 N GLU A 969 12.585 1.644 -0.615 1.00 0.00 N ATOM 844 CA GLU A 969 11.231 1.961 -0.175 1.00 0.00 C ATOM 845 C GLU A 969 11.205 3.276 0.599 1.00 0.00 C ATOM 846 O GLU A 969 12.151 3.608 1.312 1.00 0.00 O ATOM 847 CB GLU A 969 10.676 0.832 0.696 1.00 0.00 C ATOM 848 CG GLU A 969 10.019 -0.283 -0.100 1.00 0.00 C ATOM 849 CD GLU A 969 9.475 -1.388 0.785 1.00 0.00 C ATOM 850 OE1 GLU A 969 8.424 -1.174 1.423 1.00 0.00 O ATOM 851 OE2 GLU A 969 10.101 -2.467 0.839 1.00 0.00 O ATOM 0 H GLU A 969 13.319 1.947 0.025 1.00 0.00 H new ATOM 0 HA GLU A 969 10.604 2.068 -1.060 1.00 0.00 H new ATOM 0 HB2 GLU A 969 11.486 0.413 1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 969 9.948 1.247 1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 969 9.207 0.132 -0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 969 10.745 -0.704 -0.796 1.00 0.00 H new ATOM 858 N ALA A 970 10.113 4.020 0.453 1.00 0.00 N ATOM 859 CA ALA A 970 9.962 5.297 1.139 1.00 0.00 C ATOM 860 C ALA A 970 8.494 5.597 1.422 1.00 0.00 C ATOM 861 O ALA A 970 7.606 5.131 0.708 1.00 0.00 O ATOM 862 CB ALA A 970 10.582 6.415 0.315 1.00 0.00 C ATOM 0 H ALA A 970 9.320 3.760 -0.134 1.00 0.00 H new ATOM 0 HA ALA A 970 10.483 5.233 2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 970 10.462 7.363 0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 970 11.643 6.213 0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 970 10.086 6.471 -0.654 1.00 0.00 H new ATOM 868 N MET A 971 8.245 6.378 2.468 1.00 0.00 N ATOM 869 CA MET A 971 6.884 6.740 2.845 1.00 0.00 C ATOM 870 C MET A 971 6.708 8.255 2.856 1.00 0.00 C ATOM 871 O MET A 971 7.619 8.993 3.230 1.00 0.00 O ATOM 872 CB MET A 971 6.542 6.165 4.221 1.00 0.00 C ATOM 873 CG MET A 971 6.010 4.742 4.170 1.00 0.00 C ATOM 874 SD MET A 971 5.956 3.962 5.795 1.00 0.00 S ATOM 875 CE MET A 971 4.192 3.952 6.107 1.00 0.00 C ATOM 0 H MET A 971 8.968 6.772 3.070 1.00 0.00 H new ATOM 0 HA MET A 971 6.204 6.318 2.105 1.00 0.00 H new ATOM 0 HB2 MET A 971 7.434 6.189 4.847 1.00 0.00 H new ATOM 0 HB3 MET A 971 5.800 6.805 4.699 1.00 0.00 H new ATOM 0 HG2 MET A 971 5.008 4.748 3.741 1.00 0.00 H new ATOM 0 HG3 MET A 971 6.638 4.147 3.506 1.00 0.00 H new ATOM 0 HE1 MET A 971 3.946 3.129 6.778 1.00 0.00 H new ATOM 0 HE2 MET A 971 3.899 4.895 6.568 1.00 0.00 H new ATOM 0 HE3 MET A 971 3.657 3.826 5.166 1.00 0.00 H new ATOM 885 N VAL A 972 5.530 8.713 2.444 1.00 0.00 N ATOM 886 CA VAL A 972 5.234 10.140 2.407 1.00 0.00 C ATOM 887 C VAL A 972 3.847 10.429 2.971 1.00 0.00 C ATOM 888 O VAL A 972 3.034 9.521 3.139 1.00 0.00 O ATOM 889 CB VAL A 972 5.320 10.694 0.973 1.00 0.00 C ATOM 890 CG1 VAL A 972 6.753 10.645 0.465 1.00 0.00 C ATOM 891 CG2 VAL A 972 4.391 9.922 0.048 1.00 0.00 C ATOM 0 H VAL A 972 4.765 8.116 2.131 1.00 0.00 H new ATOM 0 HA VAL A 972 5.984 10.635 3.025 1.00 0.00 H new ATOM 0 HB VAL A 972 5.001 11.736 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 972 6.793 11.041 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 972 7.390 11.246 1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 972 7.104 9.613 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 972 4.464 10.327 -0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 972 4.678 8.870 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 972 3.365 10.015 0.403 1.00 0.00 H new ATOM 901 N ALA A 973 3.585 11.699 3.260 1.00 0.00 N ATOM 902 CA ALA A 973 2.295 12.109 3.802 1.00 0.00 C ATOM 903 C ALA A 973 1.690 13.243 2.981 1.00 0.00 C ATOM 904 O ALA A 973 2.409 14.082 2.439 1.00 0.00 O ATOM 905 CB ALA A 973 2.443 12.528 5.257 1.00 0.00 C ATOM 0 H ALA A 973 4.249 12.462 3.128 1.00 0.00 H new ATOM 0 HA ALA A 973 1.618 11.256 3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 973 1.472 12.832 5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 973 2.824 11.689 5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 973 3.140 13.364 5.326 1.00 0.00 H new ATOM 911 N PHE A 974 0.364 13.262 2.894 1.00 0.00 N ATOM 912 CA PHE A 974 -0.338 14.292 2.138 1.00 0.00 C ATOM 913 C PHE A 974 -1.409 14.961 2.995 1.00 0.00 C ATOM 914 O PHE A 974 -2.049 14.314 3.823 1.00 0.00 O ATOM 915 CB PHE A 974 -0.975 13.690 0.884 1.00 0.00 C ATOM 916 CG PHE A 974 -0.020 13.553 -0.267 1.00 0.00 C ATOM 917 CD1 PHE A 974 0.995 12.609 -0.233 1.00 0.00 C ATOM 918 CD2 PHE A 974 -0.136 14.367 -1.382 1.00 0.00 C ATOM 919 CE1 PHE A 974 1.875 12.482 -1.291 1.00 0.00 C ATOM 920 CE2 PHE A 974 0.742 14.244 -2.442 1.00 0.00 C ATOM 921 CZ PHE A 974 1.748 13.299 -2.397 1.00 0.00 C ATOM 0 H PHE A 974 -0.246 12.575 3.338 1.00 0.00 H new ATOM 0 HA PHE A 974 0.389 15.048 1.841 1.00 0.00 H new ATOM 0 HB2 PHE A 974 -1.381 12.708 1.128 1.00 0.00 H new ATOM 0 HB3 PHE A 974 -1.814 14.314 0.577 1.00 0.00 H new ATOM 0 HD1 PHE A 974 1.099 11.967 0.629 1.00 0.00 H new ATOM 0 HD2 PHE A 974 -0.922 15.107 -1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 974 2.662 11.744 -1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 974 0.642 14.886 -3.305 1.00 0.00 H new ATOM 0 HZ PHE A 974 2.434 13.199 -3.225 1.00 0.00 H new ATOM 931 N GLU A 975 -1.595 16.261 2.791 1.00 0.00 N ATOM 932 CA GLU A 975 -2.587 17.018 3.545 1.00 0.00 C ATOM 933 C GLU A 975 -3.991 16.767 3.003 1.00 0.00 C ATOM 934 O GLU A 975 -4.964 16.744 3.757 1.00 0.00 O ATOM 935 CB GLU A 975 -2.268 18.514 3.493 1.00 0.00 C ATOM 936 CG GLU A 975 -0.857 18.851 3.942 1.00 0.00 C ATOM 937 CD GLU A 975 0.139 18.837 2.798 1.00 0.00 C ATOM 938 OE1 GLU A 975 -0.182 18.258 1.739 1.00 0.00 O ATOM 939 OE2 GLU A 975 1.238 19.406 2.963 1.00 0.00 O ATOM 0 H GLU A 975 -1.072 16.812 2.110 1.00 0.00 H new ATOM 0 HA GLU A 975 -2.551 16.682 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 975 -2.411 18.872 2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 975 -2.978 19.050 4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 975 -0.854 19.836 4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 975 -0.541 18.137 4.702 1.00 0.00 H new ATOM 946 N SER A 976 -4.088 16.580 1.691 1.00 0.00 N ATOM 947 CA SER A 976 -5.373 16.335 1.046 1.00 0.00 C ATOM 948 C SER A 976 -5.450 14.907 0.515 1.00 0.00 C ATOM 949 O SER A 976 -4.541 14.438 -0.170 1.00 0.00 O ATOM 950 CB SER A 976 -5.592 17.329 -0.096 1.00 0.00 C ATOM 951 OG SER A 976 -5.553 18.664 0.376 1.00 0.00 O ATOM 0 H SER A 976 -3.292 16.593 1.053 1.00 0.00 H new ATOM 0 HA SER A 976 -6.158 16.470 1.791 1.00 0.00 H new ATOM 0 HB2 SER A 976 -4.826 17.187 -0.858 1.00 0.00 H new ATOM 0 HB3 SER A 976 -6.554 17.136 -0.571 1.00 0.00 H new ATOM 0 HG SER A 976 -5.142 19.239 -0.303 1.00 0.00 H new ATOM 957 N ARG A 977 -6.543 14.221 0.835 1.00 0.00 N ATOM 958 CA ARG A 977 -6.739 12.846 0.392 1.00 0.00 C ATOM 959 C ARG A 977 -6.783 12.767 -1.131 1.00 0.00 C ATOM 960 O ARG A 977 -6.146 11.905 -1.737 1.00 0.00 O ATOM 961 CB ARG A 977 -8.033 12.279 0.980 1.00 0.00 C ATOM 962 CG ARG A 977 -8.063 10.760 1.030 1.00 0.00 C ATOM 963 CD ARG A 977 -8.518 10.167 -0.294 1.00 0.00 C ATOM 964 NE ARG A 977 -9.970 10.024 -0.360 1.00 0.00 N ATOM 965 CZ ARG A 977 -10.632 8.996 0.160 1.00 0.00 C ATOM 966 NH1 ARG A 977 -9.975 8.026 0.780 1.00 0.00 N ATOM 967 NH2 ARG A 977 -11.953 8.937 0.059 1.00 0.00 N ATOM 0 H ARG A 977 -7.306 14.595 1.399 1.00 0.00 H new ATOM 0 HA ARG A 977 -5.896 12.252 0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 977 -8.166 12.670 1.989 1.00 0.00 H new ATOM 0 HB3 ARG A 977 -8.877 12.632 0.387 1.00 0.00 H new ATOM 0 HG2 ARG A 977 -7.070 10.384 1.276 1.00 0.00 H new ATOM 0 HG3 ARG A 977 -8.734 10.434 1.825 1.00 0.00 H new ATOM 0 HD2 ARG A 977 -8.179 10.803 -1.112 1.00 0.00 H new ATOM 0 HD3 ARG A 977 -8.051 9.192 -0.434 1.00 0.00 H new ATOM 0 HE ARG A 977 -10.505 10.753 -0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 977 -8.959 8.068 0.859 1.00 0.00 H new ATOM 0 HH12 ARG A 977 -10.486 7.238 1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 977 -12.462 9.681 -0.418 1.00 0.00 H new ATOM 0 HH22 ARG A 977 -12.460 8.147 0.459 1.00 0.00 H new ATOM 981 N ASP A 978 -7.538 13.672 -1.744 1.00 0.00 N ATOM 982 CA ASP A 978 -7.665 13.706 -3.197 1.00 0.00 C ATOM 983 C ASP A 978 -6.299 13.861 -3.857 1.00 0.00 C ATOM 984 O ASP A 978 -6.020 13.238 -4.881 1.00 0.00 O ATOM 985 CB ASP A 978 -8.585 14.850 -3.623 1.00 0.00 C ATOM 986 CG ASP A 978 -8.891 14.824 -5.108 1.00 0.00 C ATOM 987 OD1 ASP A 978 -8.836 13.729 -5.706 1.00 0.00 O ATOM 988 OD2 ASP A 978 -9.184 15.899 -5.673 1.00 0.00 O ATOM 0 H ASP A 978 -8.072 14.392 -1.257 1.00 0.00 H new ATOM 0 HA ASP A 978 -8.100 12.761 -3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -9.517 14.791 -3.062 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -8.119 15.802 -3.368 1.00 0.00 H new ATOM 993 N GLU A 979 -5.452 14.697 -3.265 1.00 0.00 N ATOM 994 CA GLU A 979 -4.116 14.936 -3.798 1.00 0.00 C ATOM 995 C GLU A 979 -3.286 13.655 -3.780 1.00 0.00 C ATOM 996 O GLU A 979 -2.620 13.321 -4.759 1.00 0.00 O ATOM 997 CB GLU A 979 -3.408 16.026 -2.992 1.00 0.00 C ATOM 998 CG GLU A 979 -3.724 17.435 -3.464 1.00 0.00 C ATOM 999 CD GLU A 979 -3.434 18.484 -2.408 1.00 0.00 C ATOM 1000 OE1 GLU A 979 -2.248 18.669 -2.065 1.00 0.00 O ATOM 1001 OE2 GLU A 979 -4.395 19.120 -1.925 1.00 0.00 O ATOM 0 H GLU A 979 -5.667 15.220 -2.416 1.00 0.00 H new ATOM 0 HA GLU A 979 -4.219 15.268 -4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 979 -3.690 15.932 -1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 979 -2.331 15.866 -3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 979 -3.140 17.654 -4.358 1.00 0.00 H new ATOM 0 HG3 GLU A 979 -4.775 17.492 -3.748 1.00 0.00 H new ATOM 1008 N ALA A 980 -3.333 12.943 -2.659 1.00 0.00 N ATOM 1009 CA ALA A 980 -2.588 11.698 -2.513 1.00 0.00 C ATOM 1010 C ALA A 980 -2.942 10.713 -3.621 1.00 0.00 C ATOM 1011 O ALA A 980 -2.061 10.144 -4.266 1.00 0.00 O ATOM 1012 CB ALA A 980 -2.855 11.080 -1.149 1.00 0.00 C ATOM 0 H ALA A 980 -3.879 13.207 -1.839 1.00 0.00 H new ATOM 0 HA ALA A 980 -1.526 11.928 -2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 980 -2.292 10.151 -1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 980 -2.544 11.774 -0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 980 -3.920 10.871 -1.046 1.00 0.00 H new ATOM 1018 N THR A 981 -4.239 10.514 -3.837 1.00 0.00 N ATOM 1019 CA THR A 981 -4.710 9.595 -4.866 1.00 0.00 C ATOM 1020 C THR A 981 -4.308 10.074 -6.256 1.00 0.00 C ATOM 1021 O THR A 981 -3.858 9.287 -7.088 1.00 0.00 O ATOM 1022 CB THR A 981 -6.241 9.432 -4.814 1.00 0.00 C ATOM 1023 OG1 THR A 981 -6.675 9.312 -3.455 1.00 0.00 O ATOM 1024 CG2 THR A 981 -6.681 8.207 -5.602 1.00 0.00 C ATOM 0 H THR A 981 -4.982 10.977 -3.313 1.00 0.00 H new ATOM 0 HA THR A 981 -4.242 8.631 -4.668 1.00 0.00 H new ATOM 0 HB THR A 981 -6.694 10.316 -5.263 1.00 0.00 H new ATOM 0 HG1 THR A 981 -7.649 9.210 -3.431 1.00 0.00 H new ATOM 0 HG21 THR A 981 -7.766 8.112 -5.551 1.00 0.00 H new ATOM 0 HG22 THR A 981 -6.374 8.314 -6.642 1.00 0.00 H new ATOM 0 HG23 THR A 981 -6.218 7.316 -5.178 1.00 0.00 H new ATOM 1032 N ALA A 982 -4.474 11.370 -6.502 1.00 0.00 N ATOM 1033 CA ALA A 982 -4.126 11.954 -7.791 1.00 0.00 C ATOM 1034 C ALA A 982 -2.637 11.796 -8.081 1.00 0.00 C ATOM 1035 O ALA A 982 -2.245 11.457 -9.197 1.00 0.00 O ATOM 1036 CB ALA A 982 -4.521 13.423 -7.829 1.00 0.00 C ATOM 0 H ALA A 982 -4.848 12.035 -5.825 1.00 0.00 H new ATOM 0 HA ALA A 982 -4.678 11.421 -8.565 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -4.255 13.846 -8.798 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -5.596 13.515 -7.676 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -3.995 13.962 -7.041 1.00 0.00 H new ATOM 1042 N ALA A 983 -1.813 12.046 -7.069 1.00 0.00 N ATOM 1043 CA ALA A 983 -0.367 11.930 -7.215 1.00 0.00 C ATOM 1044 C ALA A 983 0.043 10.490 -7.503 1.00 0.00 C ATOM 1045 O ALA A 983 0.894 10.234 -8.354 1.00 0.00 O ATOM 1046 CB ALA A 983 0.333 12.440 -5.964 1.00 0.00 C ATOM 0 H ALA A 983 -2.122 12.330 -6.139 1.00 0.00 H new ATOM 0 HA ALA A 983 -0.063 12.543 -8.064 1.00 0.00 H new ATOM 0 HB1 ALA A 983 1.412 12.347 -6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 983 0.075 13.487 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 983 0.014 11.852 -5.103 1.00 0.00 H new ATOM 1052 N VAL A 984 -0.569 9.551 -6.787 1.00 0.00 N ATOM 1053 CA VAL A 984 -0.268 8.136 -6.965 1.00 0.00 C ATOM 1054 C VAL A 984 -0.623 7.672 -8.374 1.00 0.00 C ATOM 1055 O VAL A 984 0.189 7.045 -9.055 1.00 0.00 O ATOM 1056 CB VAL A 984 -1.027 7.268 -5.944 1.00 0.00 C ATOM 1057 CG1 VAL A 984 -0.788 5.790 -6.217 1.00 0.00 C ATOM 1058 CG2 VAL A 984 -0.613 7.630 -4.526 1.00 0.00 C ATOM 0 H VAL A 984 -1.276 9.746 -6.078 1.00 0.00 H new ATOM 0 HA VAL A 984 0.804 8.018 -6.806 1.00 0.00 H new ATOM 0 HB VAL A 984 -2.094 7.464 -6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 984 -1.332 5.192 -5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 984 -1.138 5.544 -7.219 1.00 0.00 H new ATOM 0 HG13 VAL A 984 0.278 5.574 -6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 984 -1.159 7.007 -3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 984 0.457 7.464 -4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 984 -0.840 8.679 -4.337 1.00 0.00 H new ATOM 1068 N ILE A 985 -1.840 7.986 -8.805 1.00 0.00 N ATOM 1069 CA ILE A 985 -2.302 7.602 -10.133 1.00 0.00 C ATOM 1070 C ILE A 985 -1.470 8.274 -11.219 1.00 0.00 C ATOM 1071 O ILE A 985 -1.106 7.647 -12.215 1.00 0.00 O ATOM 1072 CB ILE A 985 -3.785 7.965 -10.340 1.00 0.00 C ATOM 1073 CG1 ILE A 985 -4.646 7.326 -9.248 1.00 0.00 C ATOM 1074 CG2 ILE A 985 -4.251 7.520 -11.718 1.00 0.00 C ATOM 1075 CD1 ILE A 985 -5.959 8.041 -9.018 1.00 0.00 C ATOM 0 H ILE A 985 -2.524 8.505 -8.254 1.00 0.00 H new ATOM 0 HA ILE A 985 -2.187 6.521 -10.207 1.00 0.00 H new ATOM 0 HB ILE A 985 -3.892 9.048 -10.274 1.00 0.00 H new ATOM 0 HG12 ILE A 985 -4.848 6.289 -9.516 1.00 0.00 H new ATOM 0 HG13 ILE A 985 -4.082 7.310 -8.315 1.00 0.00 H new ATOM 0 HG21 ILE A 985 -5.301 7.783 -11.850 1.00 0.00 H new ATOM 0 HG22 ILE A 985 -3.654 8.017 -12.482 1.00 0.00 H new ATOM 0 HG23 ILE A 985 -4.133 6.440 -11.811 1.00 0.00 H new ATOM 0 HD11 ILE A 985 -6.517 7.533 -8.231 1.00 0.00 H new ATOM 0 HD12 ILE A 985 -5.765 9.071 -8.719 1.00 0.00 H new ATOM 0 HD13 ILE A 985 -6.543 8.035 -9.938 1.00 0.00 H new ATOM 1087 N ASP A 986 -1.169 9.553 -11.021 1.00 0.00 N ATOM 1088 CA ASP A 986 -0.377 10.311 -11.982 1.00 0.00 C ATOM 1089 C ASP A 986 1.089 9.891 -11.929 1.00 0.00 C ATOM 1090 O ASP A 986 1.810 9.987 -12.923 1.00 0.00 O ATOM 1091 CB ASP A 986 -0.500 11.810 -11.709 1.00 0.00 C ATOM 1092 CG ASP A 986 -1.658 12.442 -12.457 1.00 0.00 C ATOM 1093 OD1 ASP A 986 -1.450 12.887 -13.606 1.00 0.00 O ATOM 1094 OD2 ASP A 986 -2.772 12.490 -11.895 1.00 0.00 O ATOM 0 H ASP A 986 -1.462 10.087 -10.203 1.00 0.00 H new ATOM 0 HA ASP A 986 -0.762 10.099 -12.979 1.00 0.00 H new ATOM 0 HB2 ASP A 986 -0.631 11.972 -10.639 1.00 0.00 H new ATOM 0 HB3 ASP A 986 0.428 12.306 -11.995 1.00 0.00 H new ATOM 1099 N LEU A 987 1.523 9.425 -10.763 1.00 0.00 N ATOM 1100 CA LEU A 987 2.904 8.991 -10.580 1.00 0.00 C ATOM 1101 C LEU A 987 2.969 7.497 -10.277 1.00 0.00 C ATOM 1102 O LEU A 987 3.913 7.022 -9.647 1.00 0.00 O ATOM 1103 CB LEU A 987 3.562 9.781 -9.447 1.00 0.00 C ATOM 1104 CG LEU A 987 3.634 11.296 -9.640 1.00 0.00 C ATOM 1105 CD1 LEU A 987 4.111 11.975 -8.365 1.00 0.00 C ATOM 1106 CD2 LEU A 987 4.549 11.643 -10.805 1.00 0.00 C ATOM 0 H LEU A 987 0.939 9.338 -9.931 1.00 0.00 H new ATOM 0 HA LEU A 987 3.444 9.180 -11.508 1.00 0.00 H new ATOM 0 HB2 LEU A 987 3.017 9.578 -8.525 1.00 0.00 H new ATOM 0 HB3 LEU A 987 4.575 9.404 -9.308 1.00 0.00 H new ATOM 0 HG LEU A 987 2.633 11.661 -9.869 1.00 0.00 H new ATOM 0 HD11 LEU A 987 4.156 13.053 -8.522 1.00 0.00 H new ATOM 0 HD12 LEU A 987 3.417 11.755 -7.554 1.00 0.00 H new ATOM 0 HD13 LEU A 987 5.103 11.605 -8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 987 4.588 12.725 -10.927 1.00 0.00 H new ATOM 0 HD22 LEU A 987 5.551 11.264 -10.606 1.00 0.00 H new ATOM 0 HD23 LEU A 987 4.164 11.188 -11.718 1.00 0.00 H new ATOM 1118 N ASN A 988 1.960 6.762 -10.732 1.00 0.00 N ATOM 1119 CA ASN A 988 1.904 5.321 -10.512 1.00 0.00 C ATOM 1120 C ASN A 988 2.749 4.579 -11.543 1.00 0.00 C ATOM 1121 O ASN A 988 2.628 4.815 -12.745 1.00 0.00 O ATOM 1122 CB ASN A 988 0.456 4.831 -10.575 1.00 0.00 C ATOM 1123 CG ASN A 988 0.353 3.391 -11.039 1.00 0.00 C ATOM 1124 OD1 ASN A 988 0.121 3.122 -12.218 1.00 0.00 O ATOM 1125 ND2 ASN A 988 0.525 2.456 -10.112 1.00 0.00 N ATOM 0 H ASN A 988 1.170 7.140 -11.255 1.00 0.00 H new ATOM 0 HA ASN A 988 2.308 5.114 -9.521 1.00 0.00 H new ATOM 0 HB2 ASN A 988 -0.000 4.926 -9.590 1.00 0.00 H new ATOM 0 HB3 ASN A 988 -0.112 5.470 -11.252 1.00 0.00 H new ATOM 0 HD21 ASN A 988 0.467 1.470 -10.365 1.00 0.00 H new ATOM 0 HD22 ASN A 988 0.715 2.724 -9.146 1.00 0.00 H new ATOM 1132 N ASP A 989 3.605 3.683 -11.064 1.00 0.00 N ATOM 1133 CA ASP A 989 4.469 2.905 -11.944 1.00 0.00 C ATOM 1134 C ASP A 989 5.358 3.820 -12.781 1.00 0.00 C ATOM 1135 O ASP A 989 5.534 3.603 -13.980 1.00 0.00 O ATOM 1136 CB ASP A 989 3.631 2.011 -12.858 1.00 0.00 C ATOM 1137 CG ASP A 989 4.355 0.738 -13.246 1.00 0.00 C ATOM 1138 OD1 ASP A 989 5.589 0.790 -13.432 1.00 0.00 O ATOM 1139 OD2 ASP A 989 3.689 -0.312 -13.366 1.00 0.00 O ATOM 0 H ASP A 989 3.719 3.478 -10.071 1.00 0.00 H new ATOM 0 HA ASP A 989 5.108 2.277 -11.323 1.00 0.00 H new ATOM 0 HB2 ASP A 989 2.698 1.756 -12.356 1.00 0.00 H new ATOM 0 HB3 ASP A 989 3.367 2.564 -13.759 1.00 0.00 H new ATOM 1144 N ARG A 990 5.913 4.845 -12.141 1.00 0.00 N ATOM 1145 CA ARG A 990 6.780 5.794 -12.828 1.00 0.00 C ATOM 1146 C ARG A 990 8.205 5.257 -12.924 1.00 0.00 C ATOM 1147 O ARG A 990 8.794 4.809 -11.940 1.00 0.00 O ATOM 1148 CB ARG A 990 6.779 7.139 -12.098 1.00 0.00 C ATOM 1149 CG ARG A 990 5.525 7.963 -12.342 1.00 0.00 C ATOM 1150 CD ARG A 990 5.633 8.774 -13.623 1.00 0.00 C ATOM 1151 NE ARG A 990 4.324 9.033 -14.218 1.00 0.00 N ATOM 1152 CZ ARG A 990 4.154 9.434 -15.473 1.00 0.00 C ATOM 1153 NH1 ARG A 990 5.204 9.621 -16.261 1.00 0.00 N ATOM 1154 NH2 ARG A 990 2.932 9.649 -15.942 1.00 0.00 N ATOM 0 H ARG A 990 5.777 5.039 -11.149 1.00 0.00 H new ATOM 0 HA ARG A 990 6.394 5.936 -13.838 1.00 0.00 H new ATOM 0 HB2 ARG A 990 6.885 6.962 -11.028 1.00 0.00 H new ATOM 0 HB3 ARG A 990 7.649 7.715 -12.413 1.00 0.00 H new ATOM 0 HG2 ARG A 990 4.660 7.303 -12.400 1.00 0.00 H new ATOM 0 HG3 ARG A 990 5.359 8.633 -11.499 1.00 0.00 H new ATOM 0 HD2 ARG A 990 6.129 9.721 -13.412 1.00 0.00 H new ATOM 0 HD3 ARG A 990 6.258 8.240 -14.339 1.00 0.00 H new ATOM 0 HE ARG A 990 3.496 8.899 -13.638 1.00 0.00 H new ATOM 0 HH11 ARG A 990 6.145 9.457 -15.904 1.00 0.00 H new ATOM 0 HH12 ARG A 990 5.070 9.929 -17.224 1.00 0.00 H new ATOM 0 HH21 ARG A 990 2.122 9.506 -15.339 1.00 0.00 H new ATOM 0 HH22 ARG A 990 2.802 9.957 -16.906 1.00 0.00 H new ATOM 1168 N PRO A 991 8.774 5.301 -14.138 1.00 0.00 N ATOM 1169 CA PRO A 991 10.136 4.823 -14.393 1.00 0.00 C ATOM 1170 C PRO A 991 11.193 5.720 -13.757 1.00 0.00 C ATOM 1171 O PRO A 991 11.767 6.584 -14.421 1.00 0.00 O ATOM 1172 CB PRO A 991 10.247 4.864 -15.919 1.00 0.00 C ATOM 1173 CG PRO A 991 9.263 5.898 -16.343 1.00 0.00 C ATOM 1174 CD PRO A 991 8.130 5.821 -15.356 1.00 0.00 C ATOM 0 HA PRO A 991 10.308 3.835 -13.967 1.00 0.00 H new ATOM 0 HB2 PRO A 991 11.257 5.125 -16.236 1.00 0.00 H new ATOM 0 HB3 PRO A 991 10.016 3.894 -16.359 1.00 0.00 H new ATOM 0 HG2 PRO A 991 9.715 6.890 -16.342 1.00 0.00 H new ATOM 0 HG3 PRO A 991 8.911 5.709 -17.357 1.00 0.00 H new ATOM 0 HD2 PRO A 991 7.678 6.798 -15.186 1.00 0.00 H new ATOM 0 HD3 PRO A 991 7.337 5.160 -15.705 1.00 0.00 H new ATOM 1182 N ILE A 992 11.445 5.510 -12.470 1.00 0.00 N ATOM 1183 CA ILE A 992 12.434 6.299 -11.746 1.00 0.00 C ATOM 1184 C ILE A 992 13.843 5.767 -11.985 1.00 0.00 C ATOM 1185 O ILE A 992 14.128 4.597 -11.731 1.00 0.00 O ATOM 1186 CB ILE A 992 12.150 6.306 -10.233 1.00 0.00 C ATOM 1187 CG1 ILE A 992 10.974 7.233 -9.917 1.00 0.00 C ATOM 1188 CG2 ILE A 992 13.391 6.735 -9.464 1.00 0.00 C ATOM 1189 CD1 ILE A 992 10.783 7.484 -8.438 1.00 0.00 C ATOM 0 H ILE A 992 10.978 4.800 -11.907 1.00 0.00 H new ATOM 0 HA ILE A 992 12.364 7.318 -12.125 1.00 0.00 H new ATOM 0 HB ILE A 992 11.885 5.295 -9.923 1.00 0.00 H new ATOM 0 HG12 ILE A 992 11.128 8.187 -10.422 1.00 0.00 H new ATOM 0 HG13 ILE A 992 10.061 6.800 -10.325 1.00 0.00 H new ATOM 0 HG21 ILE A 992 13.175 6.735 -8.396 1.00 0.00 H new ATOM 0 HG22 ILE A 992 14.205 6.040 -9.670 1.00 0.00 H new ATOM 0 HG23 ILE A 992 13.683 7.738 -9.775 1.00 0.00 H new ATOM 0 HD11 ILE A 992 9.932 8.149 -8.289 1.00 0.00 H new ATOM 0 HD12 ILE A 992 10.598 6.538 -7.929 1.00 0.00 H new ATOM 0 HD13 ILE A 992 11.681 7.946 -8.028 1.00 0.00 H new ATOM 1201 N GLY A 993 14.723 6.635 -12.475 1.00 0.00 N ATOM 1202 CA GLY A 993 16.093 6.235 -12.738 1.00 0.00 C ATOM 1203 C GLY A 993 16.186 5.137 -13.780 1.00 0.00 C ATOM 1204 O GLY A 993 16.185 5.410 -14.980 1.00 0.00 O ATOM 0 H GLY A 993 14.511 7.608 -12.695 1.00 0.00 H new ATOM 0 HA2 GLY A 993 16.663 7.101 -13.075 1.00 0.00 H new ATOM 0 HA3 GLY A 993 16.553 5.892 -11.811 1.00 0.00 H new ATOM 1208 N SER A 994 16.268 3.893 -13.320 1.00 0.00 N ATOM 1209 CA SER A 994 16.368 2.750 -14.220 1.00 0.00 C ATOM 1210 C SER A 994 15.282 1.723 -13.917 1.00 0.00 C ATOM 1211 O SER A 994 15.122 0.741 -14.641 1.00 0.00 O ATOM 1212 CB SER A 994 17.748 2.101 -14.103 1.00 0.00 C ATOM 1213 OG SER A 994 17.761 0.818 -14.704 1.00 0.00 O ATOM 0 H SER A 994 16.267 3.651 -12.329 1.00 0.00 H new ATOM 0 HA SER A 994 16.229 3.109 -15.240 1.00 0.00 H new ATOM 0 HB2 SER A 994 18.494 2.737 -14.580 1.00 0.00 H new ATOM 0 HB3 SER A 994 18.026 2.017 -13.052 1.00 0.00 H new ATOM 0 HG SER A 994 16.864 0.602 -15.034 1.00 0.00 H new ATOM 1219 N ARG A 995 14.539 1.957 -12.840 1.00 0.00 N ATOM 1220 CA ARG A 995 13.469 1.052 -12.439 1.00 0.00 C ATOM 1221 C ARG A 995 12.172 1.818 -12.196 1.00 0.00 C ATOM 1222 O ARG A 995 12.185 3.029 -11.975 1.00 0.00 O ATOM 1223 CB ARG A 995 13.866 0.287 -11.175 1.00 0.00 C ATOM 1224 CG ARG A 995 15.247 -0.343 -11.253 1.00 0.00 C ATOM 1225 CD ARG A 995 15.502 -1.275 -10.079 1.00 0.00 C ATOM 1226 NE ARG A 995 14.975 -2.616 -10.320 1.00 0.00 N ATOM 1227 CZ ARG A 995 15.002 -3.589 -9.416 1.00 0.00 C ATOM 1228 NH1 ARG A 995 15.527 -3.372 -8.219 1.00 0.00 N ATOM 1229 NH2 ARG A 995 14.503 -4.783 -9.710 1.00 0.00 N ATOM 0 H ARG A 995 14.659 2.766 -12.230 1.00 0.00 H new ATOM 0 HA ARG A 995 13.305 0.342 -13.249 1.00 0.00 H new ATOM 0 HB2 ARG A 995 13.834 0.967 -10.324 1.00 0.00 H new ATOM 0 HB3 ARG A 995 13.130 -0.494 -10.987 1.00 0.00 H new ATOM 0 HG2 ARG A 995 15.343 -0.898 -12.186 1.00 0.00 H new ATOM 0 HG3 ARG A 995 16.005 0.440 -11.268 1.00 0.00 H new ATOM 0 HD2 ARG A 995 16.574 -1.335 -9.890 1.00 0.00 H new ATOM 0 HD3 ARG A 995 15.043 -0.861 -9.181 1.00 0.00 H new ATOM 0 HE ARG A 995 14.564 -2.816 -11.232 1.00 0.00 H new ATOM 0 HH11 ARG A 995 15.912 -2.456 -7.989 1.00 0.00 H new ATOM 0 HH12 ARG A 995 15.546 -4.121 -7.527 1.00 0.00 H new ATOM 0 HH21 ARG A 995 14.098 -4.954 -10.631 1.00 0.00 H new ATOM 0 HH22 ARG A 995 14.524 -5.530 -9.015 1.00 0.00 H new ATOM 1243 N LYS A 996 11.052 1.104 -12.239 1.00 0.00 N ATOM 1244 CA LYS A 996 9.746 1.714 -12.023 1.00 0.00 C ATOM 1245 C LYS A 996 9.334 1.615 -10.558 1.00 0.00 C ATOM 1246 O LYS A 996 9.498 0.571 -9.926 1.00 0.00 O ATOM 1247 CB LYS A 996 8.693 1.040 -12.906 1.00 0.00 C ATOM 1248 CG LYS A 996 8.986 1.149 -14.393 1.00 0.00 C ATOM 1249 CD LYS A 996 8.155 0.165 -15.198 1.00 0.00 C ATOM 1250 CE LYS A 996 8.598 0.119 -16.652 1.00 0.00 C ATOM 1251 NZ LYS A 996 9.851 -0.667 -16.826 1.00 0.00 N ATOM 0 H LYS A 996 11.023 0.101 -12.422 1.00 0.00 H new ATOM 0 HA LYS A 996 9.817 2.768 -12.292 1.00 0.00 H new ATOM 0 HB2 LYS A 996 8.623 -0.013 -12.634 1.00 0.00 H new ATOM 0 HB3 LYS A 996 7.720 1.487 -12.702 1.00 0.00 H new ATOM 0 HG2 LYS A 996 8.779 2.164 -14.732 1.00 0.00 H new ATOM 0 HG3 LYS A 996 10.045 0.963 -14.571 1.00 0.00 H new ATOM 0 HD2 LYS A 996 8.240 -0.829 -14.759 1.00 0.00 H new ATOM 0 HD3 LYS A 996 7.103 0.447 -15.146 1.00 0.00 H new ATOM 0 HE2 LYS A 996 7.806 -0.321 -17.259 1.00 0.00 H new ATOM 0 HE3 LYS A 996 8.753 1.134 -17.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 996 10.110 -0.689 -17.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 996 10.617 -0.224 -16.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 996 9.701 -1.638 -16.486 1.00 0.00 H new ATOM 1265 N VAL A 997 8.798 2.708 -10.023 1.00 0.00 N ATOM 1266 CA VAL A 997 8.361 2.743 -8.633 1.00 0.00 C ATOM 1267 C VAL A 997 6.867 2.463 -8.520 1.00 0.00 C ATOM 1268 O VAL A 997 6.095 2.772 -9.427 1.00 0.00 O ATOM 1269 CB VAL A 997 8.667 4.105 -7.982 1.00 0.00 C ATOM 1270 CG1 VAL A 997 10.153 4.232 -7.683 1.00 0.00 C ATOM 1271 CG2 VAL A 997 8.197 5.241 -8.878 1.00 0.00 C ATOM 0 H VAL A 997 8.656 3.581 -10.532 1.00 0.00 H new ATOM 0 HA VAL A 997 8.915 1.965 -8.108 1.00 0.00 H new ATOM 0 HB VAL A 997 8.124 4.167 -7.039 1.00 0.00 H new ATOM 0 HG11 VAL A 997 10.350 5.201 -7.223 1.00 0.00 H new ATOM 0 HG12 VAL A 997 10.456 3.438 -7.000 1.00 0.00 H new ATOM 0 HG13 VAL A 997 10.719 4.149 -8.611 1.00 0.00 H new ATOM 0 HG21 VAL A 997 8.421 6.196 -8.403 1.00 0.00 H new ATOM 0 HG22 VAL A 997 8.711 5.184 -9.838 1.00 0.00 H new ATOM 0 HG23 VAL A 997 7.122 5.158 -9.037 1.00 0.00 H new ATOM 1281 N LYS A 998 6.464 1.874 -7.398 1.00 0.00 N ATOM 1282 CA LYS A 998 5.061 1.553 -7.163 1.00 0.00 C ATOM 1283 C LYS A 998 4.499 2.381 -6.012 1.00 0.00 C ATOM 1284 O LYS A 998 5.087 2.441 -4.932 1.00 0.00 O ATOM 1285 CB LYS A 998 4.903 0.062 -6.858 1.00 0.00 C ATOM 1286 CG LYS A 998 3.471 -0.349 -6.560 1.00 0.00 C ATOM 1287 CD LYS A 998 2.622 -0.367 -7.819 1.00 0.00 C ATOM 1288 CE LYS A 998 1.158 -0.630 -7.501 1.00 0.00 C ATOM 1289 NZ LYS A 998 0.918 -2.052 -7.132 1.00 0.00 N ATOM 0 H LYS A 998 7.090 1.609 -6.637 1.00 0.00 H new ATOM 0 HA LYS A 998 4.502 1.794 -8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 998 5.269 -0.515 -7.708 1.00 0.00 H new ATOM 0 HB3 LYS A 998 5.531 -0.194 -6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 998 3.463 -1.338 -6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 998 3.036 0.341 -5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 998 2.717 0.587 -8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 998 2.992 -1.136 -8.497 1.00 0.00 H new ATOM 0 HE2 LYS A 998 0.843 0.016 -6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 998 0.546 -0.371 -8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 998 -0.091 -2.191 -6.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 998 1.195 -2.667 -7.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 998 1.482 -2.293 -6.292 1.00 0.00 H new ATOM 1303 N LEU A 999 3.357 3.016 -6.250 1.00 0.00 N ATOM 1304 CA LEU A 999 2.713 3.840 -5.232 1.00 0.00 C ATOM 1305 C LEU A 999 1.419 3.195 -4.748 1.00 0.00 C ATOM 1306 O LEU A 999 0.561 2.822 -5.549 1.00 0.00 O ATOM 1307 CB LEU A 999 2.425 5.236 -5.784 1.00 0.00 C ATOM 1308 CG LEU A 999 3.646 6.119 -6.048 1.00 0.00 C ATOM 1309 CD1 LEU A 999 3.265 7.313 -6.910 1.00 0.00 C ATOM 1310 CD2 LEU A 999 4.264 6.581 -4.736 1.00 0.00 C ATOM 0 H LEU A 999 2.858 2.977 -7.138 1.00 0.00 H new ATOM 0 HA LEU A 999 3.394 3.925 -4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 999 1.871 5.129 -6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 999 1.772 5.755 -5.082 1.00 0.00 H new ATOM 0 HG LEU A 999 4.387 5.529 -6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 999 4.146 7.930 -7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 999 2.870 6.962 -7.863 1.00 0.00 H new ATOM 0 HD13 LEU A 999 2.506 7.904 -6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 999 5.131 7.208 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 999 3.529 7.153 -4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 999 4.574 5.713 -4.154 1.00 0.00 H new ATOM 1322 N VAL A1000 1.282 3.068 -3.432 1.00 0.00 N ATOM 1323 CA VAL A1000 0.090 2.472 -2.840 1.00 0.00 C ATOM 1324 C VAL A1000 -0.528 3.396 -1.798 1.00 0.00 C ATOM 1325 O VAL A1000 0.182 4.065 -1.046 1.00 0.00 O ATOM 1326 CB VAL A1000 0.409 1.115 -2.183 1.00 0.00 C ATOM 1327 CG1 VAL A1000 -0.842 0.519 -1.556 1.00 0.00 C ATOM 1328 CG2 VAL A1000 1.012 0.159 -3.201 1.00 0.00 C ATOM 0 H VAL A1000 1.982 3.370 -2.755 1.00 0.00 H new ATOM 0 HA VAL A1000 -0.622 2.317 -3.651 1.00 0.00 H new ATOM 0 HB VAL A1000 1.142 1.277 -1.392 1.00 0.00 H new ATOM 0 HG11 VAL A1000 -0.598 -0.439 -1.097 1.00 0.00 H new ATOM 0 HG12 VAL A1000 -1.227 1.198 -0.795 1.00 0.00 H new ATOM 0 HG13 VAL A1000 -1.599 0.370 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A1000 1.231 -0.794 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A1000 0.304 0.000 -4.015 1.00 0.00 H new ATOM 0 HG23 VAL A1000 1.933 0.585 -3.599 1.00 0.00 H new ATOM 1338 N LEU A1001 -1.855 3.430 -1.758 1.00 0.00 N ATOM 1339 CA LEU A1001 -2.571 4.273 -0.806 1.00 0.00 C ATOM 1340 C LEU A1001 -2.487 3.695 0.603 1.00 0.00 C ATOM 1341 O LEU A1001 -2.743 2.511 0.816 1.00 0.00 O ATOM 1342 CB LEU A1001 -4.035 4.418 -1.224 1.00 0.00 C ATOM 1343 CG LEU A1001 -4.339 5.530 -2.228 1.00 0.00 C ATOM 1344 CD1 LEU A1001 -5.751 5.383 -2.776 1.00 0.00 C ATOM 1345 CD2 LEU A1001 -4.155 6.896 -1.583 1.00 0.00 C ATOM 0 H LEU A1001 -2.458 2.884 -2.374 1.00 0.00 H new ATOM 0 HA LEU A1001 -2.101 5.257 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU A1001 -4.366 3.471 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A1001 -4.632 4.591 -0.329 1.00 0.00 H new ATOM 0 HG LEU A1001 -3.638 5.445 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A1001 -5.950 6.183 -3.489 1.00 0.00 H new ATOM 0 HD12 LEU A1001 -5.849 4.419 -3.276 1.00 0.00 H new ATOM 0 HD13 LEU A1001 -6.467 5.441 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A1001 -4.376 7.675 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A1001 -4.832 6.992 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A1001 -3.126 7.001 -1.240 1.00 0.00 H new ATOM 1357 N GLY A1002 -2.129 4.542 1.564 1.00 0.00 N ATOM 1358 CA GLY A1002 -2.021 4.098 2.941 1.00 0.00 C ATOM 1359 C GLY A1002 -3.265 3.374 3.417 1.00 0.00 C ATOM 1360 O GLY A1002 -3.251 2.157 3.600 1.00 0.00 O ATOM 0 H GLY A1002 -1.912 5.527 1.413 1.00 0.00 H new ATOM 0 HA2 GLY A1002 -1.160 3.437 3.040 1.00 0.00 H new ATOM 0 HA3 GLY A1002 -1.837 4.959 3.584 1.00 0.00 H new