USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=14 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 110:sc= -0.0233 USER MOD Single : A 929 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 931 GLN : amide:sc= -2.19 X(o=-2.2,f=-2.2) USER MOD Single : A 932 ASN : amide:sc= -2.16! X(o=-2.2!,f=-1.7) USER MOD Single : A 933 MET CE :methyl -173:sc= -2.12! (180deg=-2.31) USER MOD Single : A 936 THR OG1 : rot 180:sc= 0 USER MOD Single : A 938 SER OG : rot 180:sc= 0 USER MOD Single : A 947 TYR OH : rot 180:sc= 0 USER MOD Single : A 949 TYR OH : rot 150:sc= -0.0524 USER MOD Single : A 950 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 955 SER OG : rot -93:sc= 0.363 USER MOD Single : A 957 CYS SG : rot 180:sc= 0 USER MOD Single : A 959 LYS NZ :NH3+ -151:sc= -0.287 (180deg=-1.24!) USER MOD Single : A 960 TYR OH : rot 180:sc= 0 USER MOD Single : A 961 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.7!) USER MOD Single : A 963 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 965 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 967 THR OG1 : rot -67:sc= 0.309 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 76:sc= 0.256 USER MOD Single : A 988 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 994 SER OG : rot 180:sc= 0 USER MOD Single : A 996 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 998 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N PRO A 925 -3.624 12.882 8.114 1.00 0.00 N ATOM 149 CA PRO A 925 -3.361 12.912 6.672 1.00 0.00 C ATOM 150 C PRO A 925 -3.219 11.514 6.079 1.00 0.00 C ATOM 151 O PRO A 925 -3.154 10.523 6.807 1.00 0.00 O ATOM 152 CB PRO A 925 -2.037 13.673 6.569 1.00 0.00 C ATOM 153 CG PRO A 925 -1.372 13.456 7.884 1.00 0.00 C ATOM 154 CD PRO A 925 -2.479 13.371 8.899 1.00 0.00 C ATOM 0 HA PRO A 925 -4.178 13.374 6.118 1.00 0.00 H new ATOM 0 HB2 PRO A 925 -1.426 13.295 5.749 1.00 0.00 H new ATOM 0 HB3 PRO A 925 -2.204 14.733 6.380 1.00 0.00 H new ATOM 0 HG2 PRO A 925 -0.779 12.541 7.875 1.00 0.00 H new ATOM 0 HG3 PRO A 925 -0.691 14.275 8.117 1.00 0.00 H new ATOM 0 HD2 PRO A 925 -2.228 12.689 9.711 1.00 0.00 H new ATOM 0 HD3 PRO A 925 -2.686 14.341 9.350 1.00 0.00 H new ATOM 162 N THR A 926 -3.171 11.441 4.753 1.00 0.00 N ATOM 163 CA THR A 926 -3.037 10.164 4.062 1.00 0.00 C ATOM 164 C THR A 926 -1.573 9.830 3.802 1.00 0.00 C ATOM 165 O THR A 926 -0.859 10.594 3.151 1.00 0.00 O ATOM 166 CB THR A 926 -3.797 10.168 2.722 1.00 0.00 C ATOM 167 OG1 THR A 926 -5.126 10.665 2.914 1.00 0.00 O ATOM 168 CG2 THR A 926 -3.854 8.768 2.129 1.00 0.00 C ATOM 0 H THR A 926 -3.223 12.251 4.136 1.00 0.00 H new ATOM 0 HA THR A 926 -3.469 9.405 4.714 1.00 0.00 H new ATOM 0 HB THR A 926 -3.264 10.818 2.028 1.00 0.00 H new ATOM 0 HG1 THR A 926 -5.209 11.547 2.495 1.00 0.00 H new ATOM 0 HG21 THR A 926 -4.395 8.795 1.183 1.00 0.00 H new ATOM 0 HG22 THR A 926 -2.841 8.404 1.957 1.00 0.00 H new ATOM 0 HG23 THR A 926 -4.367 8.100 2.821 1.00 0.00 H new ATOM 176 N ILE A 927 -1.132 8.686 4.314 1.00 0.00 N ATOM 177 CA ILE A 927 0.248 8.251 4.135 1.00 0.00 C ATOM 178 C ILE A 927 0.375 7.301 2.950 1.00 0.00 C ATOM 179 O ILE A 927 -0.362 6.320 2.846 1.00 0.00 O ATOM 180 CB ILE A 927 0.787 7.554 5.398 1.00 0.00 C ATOM 181 CG1 ILE A 927 0.739 8.508 6.593 1.00 0.00 C ATOM 182 CG2 ILE A 927 2.206 7.059 5.165 1.00 0.00 C ATOM 183 CD1 ILE A 927 1.469 9.811 6.356 1.00 0.00 C ATOM 0 H ILE A 927 -1.710 8.044 4.856 1.00 0.00 H new ATOM 0 HA ILE A 927 0.839 9.147 3.944 1.00 0.00 H new ATOM 0 HB ILE A 927 0.155 6.694 5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 927 -0.302 8.723 6.834 1.00 0.00 H new ATOM 0 HG13 ILE A 927 1.172 8.011 7.462 1.00 0.00 H new ATOM 0 HG21 ILE A 927 2.573 6.569 6.067 1.00 0.00 H new ATOM 0 HG22 ILE A 927 2.213 6.349 4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 927 2.851 7.904 4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 927 1.393 10.437 7.245 1.00 0.00 H new ATOM 0 HD12 ILE A 927 2.519 9.607 6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 927 1.022 10.329 5.508 1.00 0.00 H new ATOM 195 N ILE A 928 1.316 7.597 2.059 1.00 0.00 N ATOM 196 CA ILE A 928 1.542 6.766 0.883 1.00 0.00 C ATOM 197 C ILE A 928 2.803 5.924 1.038 1.00 0.00 C ATOM 198 O ILE A 928 3.762 6.336 1.692 1.00 0.00 O ATOM 199 CB ILE A 928 1.661 7.620 -0.394 1.00 0.00 C ATOM 200 CG1 ILE A 928 0.423 8.502 -0.562 1.00 0.00 C ATOM 201 CG2 ILE A 928 1.853 6.727 -1.611 1.00 0.00 C ATOM 202 CD1 ILE A 928 0.469 9.379 -1.793 1.00 0.00 C ATOM 0 H ILE A 928 1.934 8.406 2.129 1.00 0.00 H new ATOM 0 HA ILE A 928 0.679 6.107 0.791 1.00 0.00 H new ATOM 0 HB ILE A 928 2.533 8.267 -0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 928 -0.462 7.867 -0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 928 0.314 9.133 0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 928 1.935 7.344 -2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 928 2.763 6.139 -1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 928 0.998 6.058 -1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 928 -0.441 9.977 -1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 928 1.334 10.039 -1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 928 0.547 8.754 -2.682 1.00 0.00 H new ATOM 214 N LYS A 929 2.798 4.742 0.431 1.00 0.00 N ATOM 215 CA LYS A 929 3.942 3.842 0.498 1.00 0.00 C ATOM 216 C LYS A 929 4.589 3.680 -0.874 1.00 0.00 C ATOM 217 O LYS A 929 3.911 3.396 -1.862 1.00 0.00 O ATOM 218 CB LYS A 929 3.511 2.475 1.034 1.00 0.00 C ATOM 219 CG LYS A 929 3.574 2.367 2.548 1.00 0.00 C ATOM 220 CD LYS A 929 2.693 1.243 3.065 1.00 0.00 C ATOM 221 CE LYS A 929 3.131 -0.106 2.516 1.00 0.00 C ATOM 222 NZ LYS A 929 4.216 -0.712 3.336 1.00 0.00 N ATOM 0 H LYS A 929 2.013 4.385 -0.114 1.00 0.00 H new ATOM 0 HA LYS A 929 4.675 4.278 1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 929 2.492 2.270 0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 929 4.147 1.706 0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 929 4.605 2.195 2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 929 3.260 3.311 2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 929 2.729 1.223 4.154 1.00 0.00 H new ATOM 0 HD3 LYS A 929 1.657 1.433 2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 929 2.276 -0.782 2.488 1.00 0.00 H new ATOM 0 HE3 LYS A 929 3.476 0.014 1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 4.487 -1.630 2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 5.041 -0.079 3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 3.879 -0.851 4.310 1.00 0.00 H new ATOM 236 N VAL A 930 5.905 3.862 -0.929 1.00 0.00 N ATOM 237 CA VAL A 930 6.643 3.734 -2.179 1.00 0.00 C ATOM 238 C VAL A 930 7.557 2.514 -2.155 1.00 0.00 C ATOM 239 O VAL A 930 8.272 2.282 -1.181 1.00 0.00 O ATOM 240 CB VAL A 930 7.489 4.990 -2.462 1.00 0.00 C ATOM 241 CG1 VAL A 930 8.099 4.920 -3.854 1.00 0.00 C ATOM 242 CG2 VAL A 930 6.647 6.247 -2.303 1.00 0.00 C ATOM 0 H VAL A 930 6.481 4.099 -0.122 1.00 0.00 H new ATOM 0 HA VAL A 930 5.905 3.616 -2.972 1.00 0.00 H new ATOM 0 HB VAL A 930 8.301 5.031 -1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 930 8.693 5.815 -4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 930 8.738 4.040 -3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 930 7.304 4.855 -4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 930 7.261 7.124 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 930 5.813 6.217 -3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 930 6.263 6.301 -1.284 1.00 0.00 H new ATOM 252 N GLN A 931 7.527 1.738 -3.234 1.00 0.00 N ATOM 253 CA GLN A 931 8.353 0.541 -3.337 1.00 0.00 C ATOM 254 C GLN A 931 8.972 0.424 -4.726 1.00 0.00 C ATOM 255 O GLN A 931 8.658 1.205 -5.623 1.00 0.00 O ATOM 256 CB GLN A 931 7.522 -0.705 -3.029 1.00 0.00 C ATOM 257 CG GLN A 931 8.218 -1.686 -2.099 1.00 0.00 C ATOM 258 CD GLN A 931 7.360 -2.071 -0.909 1.00 0.00 C ATOM 259 OE1 GLN A 931 7.305 -3.239 -0.521 1.00 0.00 O ATOM 260 NE2 GLN A 931 6.686 -1.089 -0.323 1.00 0.00 N ATOM 0 H GLN A 931 6.940 1.917 -4.049 1.00 0.00 H new ATOM 0 HA GLN A 931 9.158 0.622 -2.607 1.00 0.00 H new ATOM 0 HB2 GLN A 931 6.577 -0.399 -2.580 1.00 0.00 H new ATOM 0 HB3 GLN A 931 7.282 -1.211 -3.964 1.00 0.00 H new ATOM 0 HG2 GLN A 931 8.483 -2.584 -2.657 1.00 0.00 H new ATOM 0 HG3 GLN A 931 9.149 -1.245 -1.743 1.00 0.00 H new ATOM 0 HE21 GLN A 931 6.761 -0.136 -0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 931 6.093 -1.288 0.483 1.00 0.00 H new ATOM 269 N ASN A 932 9.852 -0.557 -4.895 1.00 0.00 N ATOM 270 CA ASN A 932 10.516 -0.776 -6.175 1.00 0.00 C ATOM 271 C ASN A 932 11.379 0.424 -6.552 1.00 0.00 C ATOM 272 O ASN A 932 11.272 0.956 -7.657 1.00 0.00 O ATOM 273 CB ASN A 932 9.481 -1.039 -7.271 1.00 0.00 C ATOM 274 CG ASN A 932 10.052 -1.842 -8.424 1.00 0.00 C ATOM 275 OD1 ASN A 932 9.498 -2.871 -8.812 1.00 0.00 O ATOM 276 ND2 ASN A 932 11.165 -1.375 -8.977 1.00 0.00 N ATOM 0 H ASN A 932 10.122 -1.213 -4.162 1.00 0.00 H new ATOM 0 HA ASN A 932 11.162 -1.649 -6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 932 8.632 -1.573 -6.845 1.00 0.00 H new ATOM 0 HB3 ASN A 932 9.103 -0.088 -7.646 1.00 0.00 H new ATOM 0 HD21 ASN A 932 11.595 -1.873 -9.756 1.00 0.00 H new ATOM 0 HD22 ASN A 932 11.590 -0.518 -8.623 1.00 0.00 H new ATOM 283 N MET A 933 12.235 0.845 -5.627 1.00 0.00 N ATOM 284 CA MET A 933 13.118 1.981 -5.863 1.00 0.00 C ATOM 285 C MET A 933 14.582 1.559 -5.776 1.00 0.00 C ATOM 286 O MET A 933 15.016 0.937 -4.807 1.00 0.00 O ATOM 287 CB MET A 933 12.835 3.094 -4.852 1.00 0.00 C ATOM 288 CG MET A 933 11.792 4.093 -5.325 1.00 0.00 C ATOM 289 SD MET A 933 11.680 5.540 -4.254 1.00 0.00 S ATOM 290 CE MET A 933 12.006 4.803 -2.654 1.00 0.00 C ATOM 0 H MET A 933 12.336 0.416 -4.707 1.00 0.00 H new ATOM 0 HA MET A 933 12.925 2.356 -6.868 1.00 0.00 H new ATOM 0 HB2 MET A 933 12.500 2.647 -3.916 1.00 0.00 H new ATOM 0 HB3 MET A 933 13.763 3.624 -4.638 1.00 0.00 H new ATOM 0 HG2 MET A 933 12.035 4.414 -6.338 1.00 0.00 H new ATOM 0 HG3 MET A 933 10.819 3.603 -5.370 1.00 0.00 H new ATOM 0 HE1 MET A 933 11.849 5.546 -1.872 1.00 0.00 H new ATOM 0 HE2 MET A 933 11.330 3.962 -2.496 1.00 0.00 H new ATOM 0 HE3 MET A 933 13.037 4.451 -2.619 1.00 0.00 H new ATOM 300 N PRO A 934 15.361 1.905 -6.811 1.00 0.00 N ATOM 301 CA PRO A 934 16.787 1.572 -6.875 1.00 0.00 C ATOM 302 C PRO A 934 17.612 2.362 -5.864 1.00 0.00 C ATOM 303 O PRO A 934 17.170 3.394 -5.359 1.00 0.00 O ATOM 304 CB PRO A 934 17.179 1.959 -8.303 1.00 0.00 C ATOM 305 CG PRO A 934 16.194 3.006 -8.696 1.00 0.00 C ATOM 306 CD PRO A 934 14.910 2.648 -8.000 1.00 0.00 C ATOM 0 HA PRO A 934 16.972 0.524 -6.637 1.00 0.00 H new ATOM 0 HB2 PRO A 934 18.199 2.340 -8.344 1.00 0.00 H new ATOM 0 HB3 PRO A 934 17.132 1.100 -8.973 1.00 0.00 H new ATOM 0 HG2 PRO A 934 16.537 3.996 -8.397 1.00 0.00 H new ATOM 0 HG3 PRO A 934 16.059 3.028 -9.777 1.00 0.00 H new ATOM 0 HD2 PRO A 934 14.340 3.536 -7.726 1.00 0.00 H new ATOM 0 HD3 PRO A 934 14.266 2.039 -8.634 1.00 0.00 H new ATOM 314 N PHE A 935 18.812 1.871 -5.574 1.00 0.00 N ATOM 315 CA PHE A 935 19.699 2.532 -4.623 1.00 0.00 C ATOM 316 C PHE A 935 19.991 3.965 -5.057 1.00 0.00 C ATOM 317 O PHE A 935 20.190 4.850 -4.224 1.00 0.00 O ATOM 318 CB PHE A 935 21.008 1.751 -4.487 1.00 0.00 C ATOM 319 CG PHE A 935 20.818 0.261 -4.467 1.00 0.00 C ATOM 320 CD1 PHE A 935 19.970 -0.330 -3.545 1.00 0.00 C ATOM 321 CD2 PHE A 935 21.488 -0.548 -5.371 1.00 0.00 C ATOM 322 CE1 PHE A 935 19.795 -1.701 -3.524 1.00 0.00 C ATOM 323 CE2 PHE A 935 21.316 -1.919 -5.356 1.00 0.00 C ATOM 324 CZ PHE A 935 20.467 -2.496 -4.431 1.00 0.00 C ATOM 0 H PHE A 935 19.193 1.018 -5.983 1.00 0.00 H new ATOM 0 HA PHE A 935 19.198 2.559 -3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 935 21.666 2.014 -5.315 1.00 0.00 H new ATOM 0 HB3 PHE A 935 21.511 2.057 -3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 935 19.440 0.287 -2.835 1.00 0.00 H new ATOM 0 HD2 PHE A 935 22.153 -0.102 -6.096 1.00 0.00 H new ATOM 0 HE1 PHE A 935 19.133 -2.150 -2.798 1.00 0.00 H new ATOM 0 HE2 PHE A 935 21.844 -2.538 -6.066 1.00 0.00 H new ATOM 0 HZ PHE A 935 20.329 -3.567 -4.418 1.00 0.00 H new ATOM 334 N THR A 936 20.016 4.187 -6.367 1.00 0.00 N ATOM 335 CA THR A 936 20.285 5.512 -6.913 1.00 0.00 C ATOM 336 C THR A 936 19.309 6.543 -6.359 1.00 0.00 C ATOM 337 O THR A 936 19.665 7.705 -6.159 1.00 0.00 O ATOM 338 CB THR A 936 20.199 5.514 -8.451 1.00 0.00 C ATOM 339 OG1 THR A 936 18.883 5.132 -8.868 1.00 0.00 O ATOM 340 CG2 THR A 936 21.223 4.562 -9.052 1.00 0.00 C ATOM 0 H THR A 936 19.853 3.466 -7.070 1.00 0.00 H new ATOM 0 HA THR A 936 21.299 5.778 -6.613 1.00 0.00 H new ATOM 0 HB THR A 936 20.414 6.523 -8.804 1.00 0.00 H new ATOM 0 HG1 THR A 936 18.836 5.137 -9.847 1.00 0.00 H new ATOM 0 HG21 THR A 936 21.143 4.581 -10.139 1.00 0.00 H new ATOM 0 HG22 THR A 936 22.225 4.872 -8.756 1.00 0.00 H new ATOM 0 HG23 THR A 936 21.035 3.551 -8.692 1.00 0.00 H new ATOM 348 N VAL A 937 18.076 6.112 -6.113 1.00 0.00 N ATOM 349 CA VAL A 937 17.048 6.999 -5.580 1.00 0.00 C ATOM 350 C VAL A 937 17.576 7.805 -4.399 1.00 0.00 C ATOM 351 O VAL A 937 18.248 7.268 -3.518 1.00 0.00 O ATOM 352 CB VAL A 937 15.803 6.210 -5.133 1.00 0.00 C ATOM 353 CG1 VAL A 937 14.775 7.142 -4.511 1.00 0.00 C ATOM 354 CG2 VAL A 937 15.204 5.450 -6.307 1.00 0.00 C ATOM 0 H VAL A 937 17.764 5.154 -6.274 1.00 0.00 H new ATOM 0 HA VAL A 937 16.769 7.679 -6.385 1.00 0.00 H new ATOM 0 HB VAL A 937 16.106 5.485 -4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 937 13.903 6.567 -4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 937 15.210 7.636 -3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 937 14.474 7.892 -5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 937 14.325 4.898 -5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 937 14.915 6.154 -7.087 1.00 0.00 H new ATOM 0 HG23 VAL A 937 15.942 4.752 -6.703 1.00 0.00 H new ATOM 364 N SER A 938 17.268 9.098 -4.387 1.00 0.00 N ATOM 365 CA SER A 938 17.714 9.980 -3.316 1.00 0.00 C ATOM 366 C SER A 938 16.601 10.939 -2.902 1.00 0.00 C ATOM 367 O SER A 938 15.555 11.008 -3.548 1.00 0.00 O ATOM 368 CB SER A 938 18.946 10.772 -3.758 1.00 0.00 C ATOM 369 OG SER A 938 20.119 9.982 -3.669 1.00 0.00 O ATOM 0 H SER A 938 16.711 9.558 -5.107 1.00 0.00 H new ATOM 0 HA SER A 938 17.976 9.363 -2.457 1.00 0.00 H new ATOM 0 HB2 SER A 938 18.812 11.116 -4.784 1.00 0.00 H new ATOM 0 HB3 SER A 938 19.054 11.660 -3.135 1.00 0.00 H new ATOM 0 HG SER A 938 20.892 10.510 -3.959 1.00 0.00 H new ATOM 375 N ILE A 939 16.835 11.675 -1.821 1.00 0.00 N ATOM 376 CA ILE A 939 15.854 12.630 -1.321 1.00 0.00 C ATOM 377 C ILE A 939 15.516 13.676 -2.378 1.00 0.00 C ATOM 378 O ILE A 939 14.354 14.039 -2.559 1.00 0.00 O ATOM 379 CB ILE A 939 16.358 13.343 -0.052 1.00 0.00 C ATOM 380 CG1 ILE A 939 16.694 12.320 1.034 1.00 0.00 C ATOM 381 CG2 ILE A 939 15.316 14.332 0.448 1.00 0.00 C ATOM 382 CD1 ILE A 939 17.595 12.866 2.120 1.00 0.00 C ATOM 0 H ILE A 939 17.695 11.628 -1.275 1.00 0.00 H new ATOM 0 HA ILE A 939 14.957 12.061 -1.076 1.00 0.00 H new ATOM 0 HB ILE A 939 17.265 13.894 -0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 939 15.768 11.964 1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 939 17.175 11.458 0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 939 15.686 14.828 1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 939 15.121 15.076 -0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 939 14.393 13.801 0.682 1.00 0.00 H new ATOM 0 HD11 ILE A 939 17.791 12.086 2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 939 18.536 13.195 1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 939 17.107 13.710 2.607 1.00 0.00 H new ATOM 394 N ASP A 940 16.540 14.156 -3.076 1.00 0.00 N ATOM 395 CA ASP A 940 16.353 15.158 -4.118 1.00 0.00 C ATOM 396 C ASP A 940 15.495 14.608 -5.253 1.00 0.00 C ATOM 397 O ASP A 940 14.571 15.272 -5.723 1.00 0.00 O ATOM 398 CB ASP A 940 17.706 15.619 -4.662 1.00 0.00 C ATOM 399 CG ASP A 940 18.479 16.454 -3.660 1.00 0.00 C ATOM 400 OD1 ASP A 940 18.031 17.578 -3.353 1.00 0.00 O ATOM 401 OD2 ASP A 940 19.532 15.982 -3.182 1.00 0.00 O ATOM 0 H ASP A 940 17.508 13.867 -2.938 1.00 0.00 H new ATOM 0 HA ASP A 940 15.838 16.012 -3.678 1.00 0.00 H new ATOM 0 HB2 ASP A 940 18.299 14.747 -4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 940 17.550 16.200 -5.571 1.00 0.00 H new ATOM 406 N GLU A 941 15.808 13.392 -5.689 1.00 0.00 N ATOM 407 CA GLU A 941 15.067 12.754 -6.771 1.00 0.00 C ATOM 408 C GLU A 941 13.607 12.542 -6.378 1.00 0.00 C ATOM 409 O GLU A 941 12.700 12.760 -7.181 1.00 0.00 O ATOM 410 CB GLU A 941 15.708 11.414 -7.138 1.00 0.00 C ATOM 411 CG GLU A 941 17.022 11.554 -7.887 1.00 0.00 C ATOM 412 CD GLU A 941 16.826 11.728 -9.381 1.00 0.00 C ATOM 413 OE1 GLU A 941 16.395 10.758 -10.039 1.00 0.00 O ATOM 414 OE2 GLU A 941 17.104 12.833 -9.891 1.00 0.00 O ATOM 0 H GLU A 941 16.569 12.829 -5.310 1.00 0.00 H new ATOM 0 HA GLU A 941 15.100 13.413 -7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 941 15.878 10.840 -6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 941 15.010 10.842 -7.749 1.00 0.00 H new ATOM 0 HG2 GLU A 941 17.570 12.410 -7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 941 17.635 10.672 -7.705 1.00 0.00 H new ATOM 421 N ILE A 942 13.390 12.114 -5.139 1.00 0.00 N ATOM 422 CA ILE A 942 12.043 11.872 -4.640 1.00 0.00 C ATOM 423 C ILE A 942 11.221 13.156 -4.632 1.00 0.00 C ATOM 424 O ILE A 942 10.088 13.185 -5.116 1.00 0.00 O ATOM 425 CB ILE A 942 12.066 11.282 -3.217 1.00 0.00 C ATOM 426 CG1 ILE A 942 12.633 9.861 -3.240 1.00 0.00 C ATOM 427 CG2 ILE A 942 10.668 11.291 -2.617 1.00 0.00 C ATOM 428 CD1 ILE A 942 13.307 9.459 -1.947 1.00 0.00 C ATOM 0 H ILE A 942 14.130 11.928 -4.462 1.00 0.00 H new ATOM 0 HA ILE A 942 11.582 11.152 -5.315 1.00 0.00 H new ATOM 0 HB ILE A 942 12.711 11.901 -2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 942 11.826 9.160 -3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 942 13.351 9.778 -4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 942 10.701 10.871 -1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 942 10.299 12.315 -2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 942 10.002 10.693 -3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 942 13.685 8.440 -2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 942 14.135 10.137 -1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 942 12.587 9.509 -1.130 1.00 0.00 H new ATOM 440 N LEU A 943 11.798 14.218 -4.081 1.00 0.00 N ATOM 441 CA LEU A 943 11.120 15.508 -4.012 1.00 0.00 C ATOM 442 C LEU A 943 10.735 15.997 -5.405 1.00 0.00 C ATOM 443 O LEU A 943 9.638 16.515 -5.610 1.00 0.00 O ATOM 444 CB LEU A 943 12.016 16.541 -3.326 1.00 0.00 C ATOM 445 CG LEU A 943 11.940 16.588 -1.800 1.00 0.00 C ATOM 446 CD1 LEU A 943 13.101 17.390 -1.232 1.00 0.00 C ATOM 447 CD2 LEU A 943 10.611 17.177 -1.350 1.00 0.00 C ATOM 0 H LEU A 943 12.734 14.211 -3.675 1.00 0.00 H new ATOM 0 HA LEU A 943 10.209 15.381 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 943 13.049 16.344 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 943 11.761 17.528 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 943 12.010 15.569 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 943 13.030 17.413 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 943 14.042 16.925 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 943 13.064 18.408 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 943 10.575 17.203 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 943 10.511 18.190 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 943 9.794 16.561 -1.726 1.00 0.00 H new ATOM 459 N ASP A 944 11.645 15.826 -6.358 1.00 0.00 N ATOM 460 CA ASP A 944 11.399 16.246 -7.733 1.00 0.00 C ATOM 461 C ASP A 944 10.385 15.329 -8.409 1.00 0.00 C ATOM 462 O ASP A 944 9.634 15.756 -9.287 1.00 0.00 O ATOM 463 CB ASP A 944 12.706 16.254 -8.527 1.00 0.00 C ATOM 464 CG ASP A 944 12.669 17.223 -9.693 1.00 0.00 C ATOM 465 OD1 ASP A 944 11.687 17.188 -10.462 1.00 0.00 O ATOM 466 OD2 ASP A 944 13.624 18.016 -9.836 1.00 0.00 O ATOM 0 H ASP A 944 12.559 15.400 -6.204 1.00 0.00 H new ATOM 0 HA ASP A 944 10.989 17.256 -7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 944 13.529 16.519 -7.864 1.00 0.00 H new ATOM 0 HB3 ASP A 944 12.908 15.250 -8.899 1.00 0.00 H new ATOM 471 N PHE A 945 10.368 14.067 -7.994 1.00 0.00 N ATOM 472 CA PHE A 945 9.447 13.088 -8.561 1.00 0.00 C ATOM 473 C PHE A 945 8.000 13.456 -8.245 1.00 0.00 C ATOM 474 O PHE A 945 7.112 13.310 -9.085 1.00 0.00 O ATOM 475 CB PHE A 945 9.759 11.691 -8.022 1.00 0.00 C ATOM 476 CG PHE A 945 8.706 10.672 -8.353 1.00 0.00 C ATOM 477 CD1 PHE A 945 7.517 10.629 -7.643 1.00 0.00 C ATOM 478 CD2 PHE A 945 8.905 9.757 -9.375 1.00 0.00 C ATOM 479 CE1 PHE A 945 6.547 9.691 -7.946 1.00 0.00 C ATOM 480 CE2 PHE A 945 7.939 8.818 -9.682 1.00 0.00 C ATOM 481 CZ PHE A 945 6.758 8.786 -8.967 1.00 0.00 C ATOM 0 H PHE A 945 10.981 13.698 -7.267 1.00 0.00 H new ATOM 0 HA PHE A 945 9.576 13.089 -9.643 1.00 0.00 H new ATOM 0 HB2 PHE A 945 10.715 11.359 -8.427 1.00 0.00 H new ATOM 0 HB3 PHE A 945 9.873 11.745 -6.939 1.00 0.00 H new ATOM 0 HD1 PHE A 945 7.346 11.336 -6.844 1.00 0.00 H new ATOM 0 HD2 PHE A 945 9.826 9.778 -9.938 1.00 0.00 H new ATOM 0 HE1 PHE A 945 5.625 9.666 -7.384 1.00 0.00 H new ATOM 0 HE2 PHE A 945 8.107 8.110 -10.480 1.00 0.00 H new ATOM 0 HZ PHE A 945 6.001 8.054 -9.206 1.00 0.00 H new ATOM 491 N PHE A 946 7.770 13.935 -7.026 1.00 0.00 N ATOM 492 CA PHE A 946 6.432 14.323 -6.597 1.00 0.00 C ATOM 493 C PHE A 946 6.142 15.775 -6.966 1.00 0.00 C ATOM 494 O PHE A 946 5.176 16.368 -6.485 1.00 0.00 O ATOM 495 CB PHE A 946 6.281 14.128 -5.087 1.00 0.00 C ATOM 496 CG PHE A 946 6.002 12.707 -4.691 1.00 0.00 C ATOM 497 CD1 PHE A 946 4.700 12.237 -4.617 1.00 0.00 C ATOM 498 CD2 PHE A 946 7.041 11.840 -4.391 1.00 0.00 C ATOM 499 CE1 PHE A 946 4.440 10.929 -4.253 1.00 0.00 C ATOM 500 CE2 PHE A 946 6.787 10.532 -4.027 1.00 0.00 C ATOM 501 CZ PHE A 946 5.485 10.076 -3.957 1.00 0.00 C ATOM 0 H PHE A 946 8.493 14.063 -6.318 1.00 0.00 H new ATOM 0 HA PHE A 946 5.713 13.686 -7.112 1.00 0.00 H new ATOM 0 HB2 PHE A 946 7.193 14.462 -4.593 1.00 0.00 H new ATOM 0 HB3 PHE A 946 5.472 14.763 -4.726 1.00 0.00 H new ATOM 0 HD1 PHE A 946 3.879 12.900 -4.846 1.00 0.00 H new ATOM 0 HD2 PHE A 946 8.061 12.191 -4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 946 3.421 10.575 -4.200 1.00 0.00 H new ATOM 0 HE2 PHE A 946 7.606 9.866 -3.797 1.00 0.00 H new ATOM 0 HZ PHE A 946 5.285 9.054 -3.671 1.00 0.00 H new ATOM 511 N TYR A 947 6.985 16.341 -7.821 1.00 0.00 N ATOM 512 CA TYR A 947 6.823 17.725 -8.253 1.00 0.00 C ATOM 513 C TYR A 947 5.383 17.997 -8.676 1.00 0.00 C ATOM 514 O TYR A 947 4.698 17.115 -9.192 1.00 0.00 O ATOM 515 CB TYR A 947 7.774 18.035 -9.409 1.00 0.00 C ATOM 516 CG TYR A 947 7.766 19.489 -9.826 1.00 0.00 C ATOM 517 CD1 TYR A 947 8.219 20.481 -8.965 1.00 0.00 C ATOM 518 CD2 TYR A 947 7.305 19.870 -11.080 1.00 0.00 C ATOM 519 CE1 TYR A 947 8.213 21.810 -9.341 1.00 0.00 C ATOM 520 CE2 TYR A 947 7.297 21.197 -11.465 1.00 0.00 C ATOM 521 CZ TYR A 947 7.752 22.163 -10.592 1.00 0.00 C ATOM 522 OH TYR A 947 7.744 23.486 -10.971 1.00 0.00 O ATOM 0 H TYR A 947 7.788 15.863 -8.229 1.00 0.00 H new ATOM 0 HA TYR A 947 7.064 18.373 -7.411 1.00 0.00 H new ATOM 0 HB2 TYR A 947 8.787 17.754 -9.121 1.00 0.00 H new ATOM 0 HB3 TYR A 947 7.504 17.418 -10.266 1.00 0.00 H new ATOM 0 HD1 TYR A 947 8.582 20.208 -7.985 1.00 0.00 H new ATOM 0 HD2 TYR A 947 6.947 19.116 -11.765 1.00 0.00 H new ATOM 0 HE1 TYR A 947 8.567 22.569 -8.659 1.00 0.00 H new ATOM 0 HE2 TYR A 947 6.936 21.476 -12.444 1.00 0.00 H new ATOM 0 HH TYR A 947 7.390 23.563 -11.882 1.00 0.00 H new ATOM 532 N GLY A 948 4.930 19.228 -8.455 1.00 0.00 N ATOM 533 CA GLY A 948 3.575 19.597 -8.819 1.00 0.00 C ATOM 534 C GLY A 948 2.619 19.527 -7.645 1.00 0.00 C ATOM 535 O GLY A 948 1.798 20.424 -7.449 1.00 0.00 O ATOM 0 H GLY A 948 5.478 19.976 -8.030 1.00 0.00 H new ATOM 0 HA2 GLY A 948 3.574 20.609 -9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 948 3.222 18.936 -9.611 1.00 0.00 H new ATOM 539 N TYR A 949 2.724 18.459 -6.862 1.00 0.00 N ATOM 540 CA TYR A 949 1.859 18.274 -5.702 1.00 0.00 C ATOM 541 C TYR A 949 2.495 18.864 -4.448 1.00 0.00 C ATOM 542 O TYR A 949 3.709 19.061 -4.389 1.00 0.00 O ATOM 543 CB TYR A 949 1.568 16.787 -5.489 1.00 0.00 C ATOM 544 CG TYR A 949 0.870 16.133 -6.660 1.00 0.00 C ATOM 545 CD1 TYR A 949 -0.517 16.125 -6.750 1.00 0.00 C ATOM 546 CD2 TYR A 949 1.596 15.522 -7.674 1.00 0.00 C ATOM 547 CE1 TYR A 949 -1.160 15.528 -7.817 1.00 0.00 C ATOM 548 CE2 TYR A 949 0.962 14.924 -8.746 1.00 0.00 C ATOM 549 CZ TYR A 949 -0.416 14.929 -8.813 1.00 0.00 C ATOM 550 OH TYR A 949 -1.052 14.333 -9.878 1.00 0.00 O ATOM 0 H TYR A 949 3.399 17.709 -7.009 1.00 0.00 H new ATOM 0 HA TYR A 949 0.922 18.797 -5.892 1.00 0.00 H new ATOM 0 HB2 TYR A 949 2.506 16.265 -5.298 1.00 0.00 H new ATOM 0 HB3 TYR A 949 0.951 16.670 -4.598 1.00 0.00 H new ATOM 0 HD1 TYR A 949 -1.102 16.594 -5.972 1.00 0.00 H new ATOM 0 HD2 TYR A 949 2.675 15.514 -7.624 1.00 0.00 H new ATOM 0 HE1 TYR A 949 -2.239 15.530 -7.871 1.00 0.00 H new ATOM 0 HE2 TYR A 949 1.542 14.455 -9.527 1.00 0.00 H new ATOM 0 HH TYR A 949 -0.482 14.390 -10.673 1.00 0.00 H new ATOM 560 N GLN A 950 1.667 19.144 -3.447 1.00 0.00 N ATOM 561 CA GLN A 950 2.148 19.712 -2.193 1.00 0.00 C ATOM 562 C GLN A 950 2.479 18.612 -1.190 1.00 0.00 C ATOM 563 O GLN A 950 1.622 18.182 -0.418 1.00 0.00 O ATOM 564 CB GLN A 950 1.101 20.659 -1.603 1.00 0.00 C ATOM 565 CG GLN A 950 0.949 21.957 -2.379 1.00 0.00 C ATOM 566 CD GLN A 950 0.244 23.035 -1.580 1.00 0.00 C ATOM 567 OE1 GLN A 950 -0.885 22.849 -1.125 1.00 0.00 O ATOM 568 NE2 GLN A 950 0.907 24.172 -1.406 1.00 0.00 N ATOM 0 H GLN A 950 0.660 18.987 -3.480 1.00 0.00 H new ATOM 0 HA GLN A 950 3.058 20.274 -2.402 1.00 0.00 H new ATOM 0 HB2 GLN A 950 0.138 20.149 -1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 950 1.372 20.891 -0.573 1.00 0.00 H new ATOM 0 HG2 GLN A 950 1.934 22.316 -2.676 1.00 0.00 H new ATOM 0 HG3 GLN A 950 0.390 21.765 -3.295 1.00 0.00 H new ATOM 0 HE21 GLN A 950 1.841 24.283 -1.801 1.00 0.00 H new ATOM 0 HE22 GLN A 950 0.482 24.934 -0.878 1.00 0.00 H new ATOM 577 N VAL A 951 3.730 18.161 -1.206 1.00 0.00 N ATOM 578 CA VAL A 951 4.175 17.112 -0.296 1.00 0.00 C ATOM 579 C VAL A 951 4.560 17.689 1.061 1.00 0.00 C ATOM 580 O VAL A 951 5.306 18.665 1.143 1.00 0.00 O ATOM 581 CB VAL A 951 5.377 16.342 -0.874 1.00 0.00 C ATOM 582 CG1 VAL A 951 6.018 15.471 0.196 1.00 0.00 C ATOM 583 CG2 VAL A 951 4.948 15.504 -2.069 1.00 0.00 C ATOM 0 H VAL A 951 4.452 18.505 -1.839 1.00 0.00 H new ATOM 0 HA VAL A 951 3.338 16.425 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 951 6.120 17.064 -1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 951 6.865 14.935 -0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 951 6.363 16.099 1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 951 5.286 14.755 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 951 5.810 14.967 -2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 951 4.186 14.789 -1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 951 4.540 16.155 -2.842 1.00 0.00 H new ATOM 593 N ILE A 952 4.047 17.078 2.124 1.00 0.00 N ATOM 594 CA ILE A 952 4.338 17.530 3.479 1.00 0.00 C ATOM 595 C ILE A 952 5.837 17.493 3.760 1.00 0.00 C ATOM 596 O ILE A 952 6.512 16.489 3.531 1.00 0.00 O ATOM 597 CB ILE A 952 3.609 16.670 4.528 1.00 0.00 C ATOM 598 CG1 ILE A 952 2.101 16.920 4.465 1.00 0.00 C ATOM 599 CG2 ILE A 952 4.142 16.969 5.921 1.00 0.00 C ATOM 600 CD1 ILE A 952 1.289 15.922 5.260 1.00 0.00 C ATOM 0 H ILE A 952 3.428 16.269 2.073 1.00 0.00 H new ATOM 0 HA ILE A 952 3.982 18.557 3.553 1.00 0.00 H new ATOM 0 HB ILE A 952 3.794 15.619 4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 952 1.892 17.924 4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 952 1.779 16.891 3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 952 3.617 16.353 6.651 1.00 0.00 H new ATOM 0 HG22 ILE A 952 5.208 16.746 5.958 1.00 0.00 H new ATOM 0 HG23 ILE A 952 3.983 18.022 6.153 1.00 0.00 H new ATOM 0 HD11 ILE A 952 0.229 16.161 5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 952 1.469 14.918 4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 952 1.583 15.967 6.309 1.00 0.00 H new ATOM 612 N PRO A 953 6.371 18.612 4.271 1.00 0.00 N ATOM 613 CA PRO A 953 7.795 18.733 4.597 1.00 0.00 C ATOM 614 C PRO A 953 8.188 17.880 5.799 1.00 0.00 C ATOM 615 O PRO A 953 7.554 17.943 6.851 1.00 0.00 O ATOM 616 CB PRO A 953 7.960 20.220 4.919 1.00 0.00 C ATOM 617 CG PRO A 953 6.609 20.665 5.360 1.00 0.00 C ATOM 618 CD PRO A 953 5.625 19.847 4.569 1.00 0.00 C ATOM 0 HA PRO A 953 8.431 18.387 3.782 1.00 0.00 H new ATOM 0 HB2 PRO A 953 8.703 20.375 5.701 1.00 0.00 H new ATOM 0 HB3 PRO A 953 8.295 20.779 4.046 1.00 0.00 H new ATOM 0 HG2 PRO A 953 6.476 20.507 6.430 1.00 0.00 H new ATOM 0 HG3 PRO A 953 6.469 21.730 5.175 1.00 0.00 H new ATOM 0 HD2 PRO A 953 4.720 19.642 5.142 1.00 0.00 H new ATOM 0 HD3 PRO A 953 5.316 20.360 3.658 1.00 0.00 H new ATOM 626 N GLY A 954 9.240 17.083 5.635 1.00 0.00 N ATOM 627 CA GLY A 954 9.699 16.230 6.715 1.00 0.00 C ATOM 628 C GLY A 954 9.056 14.858 6.683 1.00 0.00 C ATOM 629 O GLY A 954 9.461 13.958 7.420 1.00 0.00 O ATOM 0 H GLY A 954 9.782 17.013 4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 954 10.782 16.122 6.653 1.00 0.00 H new ATOM 0 HA3 GLY A 954 9.480 16.708 7.670 1.00 0.00 H new ATOM 633 N SER A 955 8.050 14.697 5.830 1.00 0.00 N ATOM 634 CA SER A 955 7.345 13.426 5.710 1.00 0.00 C ATOM 635 C SER A 955 8.233 12.373 5.054 1.00 0.00 C ATOM 636 O SER A 955 8.370 11.258 5.558 1.00 0.00 O ATOM 637 CB SER A 955 6.062 13.605 4.897 1.00 0.00 C ATOM 638 OG SER A 955 6.339 13.646 3.508 1.00 0.00 O ATOM 0 H SER A 955 7.704 15.431 5.212 1.00 0.00 H new ATOM 0 HA SER A 955 7.087 13.086 6.713 1.00 0.00 H new ATOM 0 HB2 SER A 955 5.376 12.785 5.110 1.00 0.00 H new ATOM 0 HB3 SER A 955 5.562 14.526 5.199 1.00 0.00 H new ATOM 0 HG SER A 955 6.452 14.577 3.224 1.00 0.00 H new ATOM 644 N VAL A 956 8.834 12.734 3.925 1.00 0.00 N ATOM 645 CA VAL A 956 9.710 11.822 3.199 1.00 0.00 C ATOM 646 C VAL A 956 10.588 11.024 4.156 1.00 0.00 C ATOM 647 O VAL A 956 11.558 11.546 4.707 1.00 0.00 O ATOM 648 CB VAL A 956 10.611 12.580 2.205 1.00 0.00 C ATOM 649 CG1 VAL A 956 11.575 11.624 1.521 1.00 0.00 C ATOM 650 CG2 VAL A 956 9.766 13.322 1.180 1.00 0.00 C ATOM 0 H VAL A 956 8.730 13.652 3.493 1.00 0.00 H new ATOM 0 HA VAL A 956 9.066 11.139 2.646 1.00 0.00 H new ATOM 0 HB VAL A 956 11.197 13.313 2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 956 12.203 12.178 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 956 12.203 11.143 2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 956 11.011 10.865 0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 956 10.418 13.852 0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 956 9.153 12.609 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 956 9.121 14.038 1.690 1.00 0.00 H new ATOM 660 N CYS A 957 10.241 9.757 4.350 1.00 0.00 N ATOM 661 CA CYS A 957 10.998 8.885 5.242 1.00 0.00 C ATOM 662 C CYS A 957 11.536 7.673 4.490 1.00 0.00 C ATOM 663 O CYS A 957 10.770 6.861 3.969 1.00 0.00 O ATOM 664 CB CYS A 957 10.120 8.429 6.409 1.00 0.00 C ATOM 665 SG CYS A 957 11.031 8.107 7.937 1.00 0.00 S ATOM 0 H CYS A 957 9.441 9.310 3.902 1.00 0.00 H new ATOM 0 HA CYS A 957 11.843 9.451 5.633 1.00 0.00 H new ATOM 0 HB2 CYS A 957 9.366 9.192 6.602 1.00 0.00 H new ATOM 0 HB3 CYS A 957 9.589 7.523 6.118 1.00 0.00 H new ATOM 0 HG CYS A 957 10.202 7.729 8.865 1.00 0.00 H new ATOM 671 N LEU A 958 12.858 7.556 4.436 1.00 0.00 N ATOM 672 CA LEU A 958 13.500 6.443 3.745 1.00 0.00 C ATOM 673 C LEU A 958 13.606 5.225 4.657 1.00 0.00 C ATOM 674 O LEU A 958 13.965 5.341 5.829 1.00 0.00 O ATOM 675 CB LEU A 958 14.892 6.853 3.260 1.00 0.00 C ATOM 676 CG LEU A 958 14.933 7.901 2.148 1.00 0.00 C ATOM 677 CD1 LEU A 958 16.357 8.384 1.922 1.00 0.00 C ATOM 678 CD2 LEU A 958 14.349 7.337 0.861 1.00 0.00 C ATOM 0 H LEU A 958 13.506 8.218 4.862 1.00 0.00 H new ATOM 0 HA LEU A 958 12.885 6.178 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 958 15.454 7.235 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 958 15.410 5.960 2.910 1.00 0.00 H new ATOM 0 HG LEU A 958 14.327 8.753 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 958 16.366 9.130 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 958 16.741 8.828 2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 958 16.986 7.541 1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 958 14.387 8.097 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 958 14.928 6.468 0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 958 13.314 7.042 1.030 1.00 0.00 H new ATOM 690 N LYS A 959 13.292 4.054 4.111 1.00 0.00 N ATOM 691 CA LYS A 959 13.355 2.813 4.873 1.00 0.00 C ATOM 692 C LYS A 959 14.657 2.070 4.596 1.00 0.00 C ATOM 693 O LYS A 959 14.955 1.723 3.453 1.00 0.00 O ATOM 694 CB LYS A 959 12.162 1.918 4.528 1.00 0.00 C ATOM 695 CG LYS A 959 11.717 1.029 5.676 1.00 0.00 C ATOM 696 CD LYS A 959 10.648 1.701 6.521 1.00 0.00 C ATOM 697 CE LYS A 959 11.261 2.507 7.657 1.00 0.00 C ATOM 698 NZ LYS A 959 12.155 1.673 8.508 1.00 0.00 N ATOM 0 H LYS A 959 12.991 3.939 3.143 1.00 0.00 H new ATOM 0 HA LYS A 959 13.319 3.065 5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 959 11.325 2.545 4.220 1.00 0.00 H new ATOM 0 HB3 LYS A 959 12.423 1.292 3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 959 11.332 0.089 5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 959 12.576 0.784 6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 959 10.045 2.356 5.893 1.00 0.00 H new ATOM 0 HD3 LYS A 959 9.977 0.945 6.930 1.00 0.00 H new ATOM 0 HE2 LYS A 959 11.827 3.343 7.245 1.00 0.00 H new ATOM 0 HE3 LYS A 959 10.467 2.931 8.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 12.160 2.048 9.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 11.809 0.692 8.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 13.121 1.695 8.123 1.00 0.00 H new ATOM 712 N TYR A 960 15.430 1.827 5.650 1.00 0.00 N ATOM 713 CA TYR A 960 16.701 1.125 5.519 1.00 0.00 C ATOM 714 C TYR A 960 16.601 -0.292 6.076 1.00 0.00 C ATOM 715 O TYR A 960 15.572 -0.683 6.625 1.00 0.00 O ATOM 716 CB TYR A 960 17.808 1.893 6.245 1.00 0.00 C ATOM 717 CG TYR A 960 18.276 3.125 5.503 1.00 0.00 C ATOM 718 CD1 TYR A 960 19.116 3.018 4.402 1.00 0.00 C ATOM 719 CD2 TYR A 960 17.880 4.394 5.905 1.00 0.00 C ATOM 720 CE1 TYR A 960 19.548 4.141 3.721 1.00 0.00 C ATOM 721 CE2 TYR A 960 18.305 5.522 5.229 1.00 0.00 C ATOM 722 CZ TYR A 960 19.139 5.390 4.139 1.00 0.00 C ATOM 723 OH TYR A 960 19.565 6.511 3.465 1.00 0.00 O ATOM 0 H TYR A 960 15.198 2.106 6.603 1.00 0.00 H new ATOM 0 HA TYR A 960 16.945 1.063 4.459 1.00 0.00 H new ATOM 0 HB2 TYR A 960 17.448 2.187 7.231 1.00 0.00 H new ATOM 0 HB3 TYR A 960 18.658 1.228 6.401 1.00 0.00 H new ATOM 0 HD1 TYR A 960 19.437 2.041 4.072 1.00 0.00 H new ATOM 0 HD2 TYR A 960 17.229 4.501 6.760 1.00 0.00 H new ATOM 0 HE1 TYR A 960 20.202 4.041 2.867 1.00 0.00 H new ATOM 0 HE2 TYR A 960 17.986 6.502 5.553 1.00 0.00 H new ATOM 0 HH TYR A 960 19.185 7.310 3.887 1.00 0.00 H new ATOM 733 N ASN A 961 17.679 -1.056 5.929 1.00 0.00 N ATOM 734 CA ASN A 961 17.714 -2.430 6.417 1.00 0.00 C ATOM 735 C ASN A 961 18.348 -2.499 7.803 1.00 0.00 C ATOM 736 O ASN A 961 19.060 -1.585 8.216 1.00 0.00 O ATOM 737 CB ASN A 961 18.491 -3.319 5.444 1.00 0.00 C ATOM 738 CG ASN A 961 18.710 -4.717 5.987 1.00 0.00 C ATOM 739 OD1 ASN A 961 17.772 -5.373 6.441 1.00 0.00 O ATOM 740 ND2 ASN A 961 19.954 -5.180 5.944 1.00 0.00 N ATOM 0 H ASN A 961 18.539 -0.747 5.476 1.00 0.00 H new ATOM 0 HA ASN A 961 16.688 -2.790 6.488 1.00 0.00 H new ATOM 0 HB2 ASN A 961 17.949 -3.380 4.500 1.00 0.00 H new ATOM 0 HB3 ASN A 961 19.456 -2.860 5.229 1.00 0.00 H new ATOM 0 HD21 ASN A 961 20.163 -6.114 6.296 1.00 0.00 H new ATOM 0 HD22 ASN A 961 20.701 -4.601 5.559 1.00 0.00 H new ATOM 747 N GLU A 962 18.084 -3.590 8.515 1.00 0.00 N ATOM 748 CA GLU A 962 18.629 -3.778 9.854 1.00 0.00 C ATOM 749 C GLU A 962 20.105 -3.396 9.899 1.00 0.00 C ATOM 750 O GLU A 962 20.576 -2.802 10.870 1.00 0.00 O ATOM 751 CB GLU A 962 18.452 -5.231 10.302 1.00 0.00 C ATOM 752 CG GLU A 962 19.332 -6.212 9.545 1.00 0.00 C ATOM 753 CD GLU A 962 18.911 -7.653 9.754 1.00 0.00 C ATOM 754 OE1 GLU A 962 18.919 -8.111 10.916 1.00 0.00 O ATOM 755 OE2 GLU A 962 18.574 -8.324 8.755 1.00 0.00 O ATOM 0 H GLU A 962 17.496 -4.357 8.187 1.00 0.00 H new ATOM 0 HA GLU A 962 18.082 -3.127 10.536 1.00 0.00 H new ATOM 0 HB2 GLU A 962 18.674 -5.304 11.367 1.00 0.00 H new ATOM 0 HB3 GLU A 962 17.408 -5.518 10.173 1.00 0.00 H new ATOM 0 HG2 GLU A 962 19.299 -5.978 8.481 1.00 0.00 H new ATOM 0 HG3 GLU A 962 20.366 -6.089 9.866 1.00 0.00 H new ATOM 762 N LYS A 963 20.832 -3.743 8.843 1.00 0.00 N ATOM 763 CA LYS A 963 22.256 -3.438 8.759 1.00 0.00 C ATOM 764 C LYS A 963 22.477 -1.971 8.403 1.00 0.00 C ATOM 765 O LYS A 963 23.412 -1.338 8.892 1.00 0.00 O ATOM 766 CB LYS A 963 22.930 -4.334 7.718 1.00 0.00 C ATOM 767 CG LYS A 963 23.433 -5.651 8.284 1.00 0.00 C ATOM 768 CD LYS A 963 24.813 -5.502 8.902 1.00 0.00 C ATOM 769 CE LYS A 963 24.746 -4.813 10.256 1.00 0.00 C ATOM 770 NZ LYS A 963 25.958 -5.086 11.078 1.00 0.00 N ATOM 0 H LYS A 963 20.458 -4.236 8.032 1.00 0.00 H new ATOM 0 HA LYS A 963 22.702 -3.628 9.735 1.00 0.00 H new ATOM 0 HB2 LYS A 963 22.222 -4.540 6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 963 23.767 -3.795 7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 963 22.734 -6.015 9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 963 23.467 -6.399 7.492 1.00 0.00 H new ATOM 0 HD2 LYS A 963 25.270 -6.485 9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 963 25.453 -4.928 8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 963 24.640 -3.738 10.112 1.00 0.00 H new ATOM 0 HE3 LYS A 963 23.860 -5.152 10.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 963 25.874 -4.599 11.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 963 26.046 -6.110 11.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 963 26.802 -4.740 10.578 1.00 0.00 H new ATOM 784 N GLY A 964 21.610 -1.437 7.548 1.00 0.00 N ATOM 785 CA GLY A 964 21.728 -0.048 7.143 1.00 0.00 C ATOM 786 C GLY A 964 21.613 0.129 5.642 1.00 0.00 C ATOM 787 O GLY A 964 21.658 1.251 5.137 1.00 0.00 O ATOM 0 H GLY A 964 20.829 -1.941 7.129 1.00 0.00 H new ATOM 0 HA2 GLY A 964 20.952 0.538 7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 964 22.687 0.345 7.480 1.00 0.00 H new ATOM 791 N MET A 965 21.464 -0.981 4.926 1.00 0.00 N ATOM 792 CA MET A 965 21.342 -0.942 3.473 1.00 0.00 C ATOM 793 C MET A 965 19.935 -0.528 3.056 1.00 0.00 C ATOM 794 O MET A 965 18.947 -0.846 3.719 1.00 0.00 O ATOM 795 CB MET A 965 21.683 -2.309 2.875 1.00 0.00 C ATOM 796 CG MET A 965 23.146 -2.691 3.027 1.00 0.00 C ATOM 797 SD MET A 965 23.582 -3.112 4.725 1.00 0.00 S ATOM 798 CE MET A 965 25.358 -2.882 4.686 1.00 0.00 C ATOM 0 H MET A 965 21.425 -1.918 5.328 1.00 0.00 H new ATOM 0 HA MET A 965 22.046 -0.201 3.094 1.00 0.00 H new ATOM 0 HB2 MET A 965 21.066 -3.070 3.353 1.00 0.00 H new ATOM 0 HB3 MET A 965 21.424 -2.308 1.816 1.00 0.00 H new ATOM 0 HG2 MET A 965 23.365 -3.540 2.379 1.00 0.00 H new ATOM 0 HG3 MET A 965 23.770 -1.863 2.690 1.00 0.00 H new ATOM 0 HE1 MET A 965 25.775 -3.105 5.668 1.00 0.00 H new ATOM 0 HE2 MET A 965 25.795 -3.551 3.945 1.00 0.00 H new ATOM 0 HE3 MET A 965 25.585 -1.849 4.421 1.00 0.00 H new ATOM 808 N PRO A 966 19.839 0.198 1.933 1.00 0.00 N ATOM 809 CA PRO A 966 18.556 0.671 1.403 1.00 0.00 C ATOM 810 C PRO A 966 17.700 -0.467 0.857 1.00 0.00 C ATOM 811 O PRO A 966 18.197 -1.357 0.166 1.00 0.00 O ATOM 812 CB PRO A 966 18.967 1.619 0.274 1.00 0.00 C ATOM 813 CG PRO A 966 20.314 1.144 -0.149 1.00 0.00 C ATOM 814 CD PRO A 966 20.975 0.613 1.093 1.00 0.00 C ATOM 0 HA PRO A 966 17.945 1.142 2.173 1.00 0.00 H new ATOM 0 HB2 PRO A 966 18.257 1.582 -0.552 1.00 0.00 H new ATOM 0 HB3 PRO A 966 19.002 2.653 0.618 1.00 0.00 H new ATOM 0 HG2 PRO A 966 20.233 0.368 -0.910 1.00 0.00 H new ATOM 0 HG3 PRO A 966 20.896 1.957 -0.584 1.00 0.00 H new ATOM 0 HD2 PRO A 966 21.637 -0.224 0.870 1.00 0.00 H new ATOM 0 HD3 PRO A 966 21.580 1.375 1.584 1.00 0.00 H new ATOM 822 N THR A 967 16.409 -0.433 1.172 1.00 0.00 N ATOM 823 CA THR A 967 15.483 -1.461 0.714 1.00 0.00 C ATOM 824 C THR A 967 14.658 -0.971 -0.470 1.00 0.00 C ATOM 825 O THR A 967 13.820 -1.699 -1.000 1.00 0.00 O ATOM 826 CB THR A 967 14.530 -1.901 1.841 1.00 0.00 C ATOM 827 OG1 THR A 967 13.744 -0.788 2.281 1.00 0.00 O ATOM 828 CG2 THR A 967 15.309 -2.474 3.016 1.00 0.00 C ATOM 0 H THR A 967 15.981 0.296 1.743 1.00 0.00 H new ATOM 0 HA THR A 967 16.087 -2.314 0.404 1.00 0.00 H new ATOM 0 HB THR A 967 13.873 -2.677 1.448 1.00 0.00 H new ATOM 0 HG1 THR A 967 14.325 -0.127 2.712 1.00 0.00 H new ATOM 0 HG21 THR A 967 14.615 -2.778 3.799 1.00 0.00 H new ATOM 0 HG22 THR A 967 15.883 -3.339 2.685 1.00 0.00 H new ATOM 0 HG23 THR A 967 15.988 -1.716 3.407 1.00 0.00 H new ATOM 836 N GLY A 968 14.902 0.270 -0.882 1.00 0.00 N ATOM 837 CA GLY A 968 14.174 0.836 -2.003 1.00 0.00 C ATOM 838 C GLY A 968 12.734 1.157 -1.655 1.00 0.00 C ATOM 839 O GLY A 968 11.835 0.966 -2.473 1.00 0.00 O ATOM 0 H GLY A 968 15.590 0.893 -0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 968 14.675 1.745 -2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 968 14.196 0.135 -2.838 1.00 0.00 H new ATOM 843 N GLU A 969 12.515 1.646 -0.438 1.00 0.00 N ATOM 844 CA GLU A 969 11.173 1.992 0.015 1.00 0.00 C ATOM 845 C GLU A 969 11.157 3.373 0.663 1.00 0.00 C ATOM 846 O GLU A 969 12.127 3.783 1.300 1.00 0.00 O ATOM 847 CB GLU A 969 10.661 0.945 1.007 1.00 0.00 C ATOM 848 CG GLU A 969 10.071 -0.287 0.342 1.00 0.00 C ATOM 849 CD GLU A 969 9.942 -1.459 1.295 1.00 0.00 C ATOM 850 OE1 GLU A 969 10.392 -1.333 2.454 1.00 0.00 O ATOM 851 OE2 GLU A 969 9.393 -2.502 0.883 1.00 0.00 O ATOM 0 H GLU A 969 13.249 1.811 0.251 1.00 0.00 H new ATOM 0 HA GLU A 969 10.516 2.010 -0.855 1.00 0.00 H new ATOM 0 HB2 GLU A 969 11.482 0.639 1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 969 9.904 1.401 1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 969 9.089 -0.042 -0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 969 10.699 -0.576 -0.501 1.00 0.00 H new ATOM 858 N ALA A 970 10.049 4.087 0.493 1.00 0.00 N ATOM 859 CA ALA A 970 9.905 5.421 1.062 1.00 0.00 C ATOM 860 C ALA A 970 8.459 5.696 1.459 1.00 0.00 C ATOM 861 O ALA A 970 7.527 5.169 0.851 1.00 0.00 O ATOM 862 CB ALA A 970 10.391 6.471 0.073 1.00 0.00 C ATOM 0 H ALA A 970 9.238 3.764 -0.034 1.00 0.00 H new ATOM 0 HA ALA A 970 10.517 5.473 1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 970 10.278 7.463 0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 970 11.441 6.294 -0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 970 9.802 6.409 -0.842 1.00 0.00 H new ATOM 868 N MET A 971 8.278 6.522 2.484 1.00 0.00 N ATOM 869 CA MET A 971 6.944 6.866 2.962 1.00 0.00 C ATOM 870 C MET A 971 6.730 8.376 2.935 1.00 0.00 C ATOM 871 O MET A 971 7.649 9.149 3.206 1.00 0.00 O ATOM 872 CB MET A 971 6.735 6.335 4.381 1.00 0.00 C ATOM 873 CG MET A 971 6.338 4.868 4.429 1.00 0.00 C ATOM 874 SD MET A 971 6.614 4.126 6.048 1.00 0.00 S ATOM 875 CE MET A 971 4.986 4.286 6.777 1.00 0.00 C ATOM 0 H MET A 971 9.038 6.966 3.000 1.00 0.00 H new ATOM 0 HA MET A 971 6.216 6.401 2.297 1.00 0.00 H new ATOM 0 HB2 MET A 971 7.654 6.473 4.951 1.00 0.00 H new ATOM 0 HB3 MET A 971 5.963 6.928 4.872 1.00 0.00 H new ATOM 0 HG2 MET A 971 5.285 4.772 4.164 1.00 0.00 H new ATOM 0 HG3 MET A 971 6.906 4.317 3.680 1.00 0.00 H new ATOM 0 HE1 MET A 971 4.996 3.870 7.784 1.00 0.00 H new ATOM 0 HE2 MET A 971 4.709 5.339 6.822 1.00 0.00 H new ATOM 0 HE3 MET A 971 4.260 3.746 6.169 1.00 0.00 H new ATOM 885 N VAL A 972 5.510 8.791 2.607 1.00 0.00 N ATOM 886 CA VAL A 972 5.175 10.209 2.546 1.00 0.00 C ATOM 887 C VAL A 972 3.772 10.466 3.083 1.00 0.00 C ATOM 888 O VAL A 972 2.951 9.552 3.167 1.00 0.00 O ATOM 889 CB VAL A 972 5.267 10.745 1.105 1.00 0.00 C ATOM 890 CG1 VAL A 972 6.718 10.994 0.719 1.00 0.00 C ATOM 891 CG2 VAL A 972 4.607 9.779 0.134 1.00 0.00 C ATOM 0 H VAL A 972 4.737 8.165 2.379 1.00 0.00 H new ATOM 0 HA VAL A 972 5.900 10.733 3.168 1.00 0.00 H new ATOM 0 HB VAL A 972 4.735 11.695 1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 972 6.763 11.372 -0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 972 7.154 11.727 1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 972 7.277 10.061 0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 972 4.681 10.174 -0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 972 5.109 8.813 0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 972 3.557 9.657 0.400 1.00 0.00 H new ATOM 901 N ALA A 973 3.503 11.715 3.446 1.00 0.00 N ATOM 902 CA ALA A 973 2.198 12.094 3.974 1.00 0.00 C ATOM 903 C ALA A 973 1.585 13.228 3.160 1.00 0.00 C ATOM 904 O ALA A 973 2.298 14.069 2.612 1.00 0.00 O ATOM 905 CB ALA A 973 2.316 12.495 5.436 1.00 0.00 C ATOM 0 H ALA A 973 4.172 12.483 3.384 1.00 0.00 H new ATOM 0 HA ALA A 973 1.538 11.230 3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 973 1.334 12.775 5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 973 2.703 11.655 6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 973 2.996 13.342 5.527 1.00 0.00 H new ATOM 911 N PHE A 974 0.258 13.245 3.083 1.00 0.00 N ATOM 912 CA PHE A 974 -0.451 14.276 2.334 1.00 0.00 C ATOM 913 C PHE A 974 -1.580 14.875 3.168 1.00 0.00 C ATOM 914 O PHE A 974 -2.263 14.166 3.907 1.00 0.00 O ATOM 915 CB PHE A 974 -1.015 13.695 1.035 1.00 0.00 C ATOM 916 CG PHE A 974 0.000 13.596 -0.067 1.00 0.00 C ATOM 917 CD1 PHE A 974 0.866 12.516 -0.135 1.00 0.00 C ATOM 918 CD2 PHE A 974 0.089 14.583 -1.036 1.00 0.00 C ATOM 919 CE1 PHE A 974 1.801 12.423 -1.148 1.00 0.00 C ATOM 920 CE2 PHE A 974 1.022 14.495 -2.052 1.00 0.00 C ATOM 921 CZ PHE A 974 1.879 13.413 -2.108 1.00 0.00 C ATOM 0 H PHE A 974 -0.348 12.557 3.530 1.00 0.00 H new ATOM 0 HA PHE A 974 0.258 15.068 2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 974 -1.420 12.703 1.236 1.00 0.00 H new ATOM 0 HB3 PHE A 974 -1.845 14.316 0.699 1.00 0.00 H new ATOM 0 HD1 PHE A 974 0.809 11.738 0.612 1.00 0.00 H new ATOM 0 HD2 PHE A 974 -0.579 15.431 -0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 974 2.471 11.577 -1.189 1.00 0.00 H new ATOM 0 HE2 PHE A 974 1.081 15.271 -2.801 1.00 0.00 H new ATOM 0 HZ PHE A 974 2.609 13.341 -2.901 1.00 0.00 H new ATOM 931 N GLU A 975 -1.768 16.185 3.044 1.00 0.00 N ATOM 932 CA GLU A 975 -2.812 16.880 3.788 1.00 0.00 C ATOM 933 C GLU A 975 -4.181 16.634 3.161 1.00 0.00 C ATOM 934 O GLU A 975 -5.195 16.588 3.858 1.00 0.00 O ATOM 935 CB GLU A 975 -2.522 18.382 3.835 1.00 0.00 C ATOM 936 CG GLU A 975 -1.236 18.731 4.565 1.00 0.00 C ATOM 937 CD GLU A 975 -1.442 18.911 6.056 1.00 0.00 C ATOM 938 OE1 GLU A 975 -2.471 19.500 6.447 1.00 0.00 O ATOM 939 OE2 GLU A 975 -0.573 18.462 6.833 1.00 0.00 O ATOM 0 H GLU A 975 -1.212 16.786 2.436 1.00 0.00 H new ATOM 0 HA GLU A 975 -2.821 16.488 4.805 1.00 0.00 H new ATOM 0 HB2 GLU A 975 -2.467 18.765 2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 975 -3.355 18.889 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 975 -0.502 17.944 4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 975 -0.822 19.648 4.146 1.00 0.00 H new ATOM 946 N SER A 976 -4.202 16.479 1.841 1.00 0.00 N ATOM 947 CA SER A 976 -5.447 16.242 1.119 1.00 0.00 C ATOM 948 C SER A 976 -5.449 14.857 0.480 1.00 0.00 C ATOM 949 O SER A 976 -4.496 14.472 -0.197 1.00 0.00 O ATOM 950 CB SER A 976 -5.648 17.313 0.045 1.00 0.00 C ATOM 951 OG SER A 976 -6.949 17.236 -0.514 1.00 0.00 O ATOM 0 H SER A 976 -3.371 16.513 1.250 1.00 0.00 H new ATOM 0 HA SER A 976 -6.269 16.294 1.833 1.00 0.00 H new ATOM 0 HB2 SER A 976 -5.493 18.301 0.478 1.00 0.00 H new ATOM 0 HB3 SER A 976 -4.903 17.189 -0.741 1.00 0.00 H new ATOM 0 HG SER A 976 -7.054 17.932 -1.196 1.00 0.00 H new ATOM 957 N ARG A 977 -6.528 14.113 0.700 1.00 0.00 N ATOM 958 CA ARG A 977 -6.655 12.770 0.147 1.00 0.00 C ATOM 959 C ARG A 977 -6.671 12.809 -1.378 1.00 0.00 C ATOM 960 O ARG A 977 -6.051 11.974 -2.037 1.00 0.00 O ATOM 961 CB ARG A 977 -7.930 12.101 0.664 1.00 0.00 C ATOM 962 CG ARG A 977 -7.824 10.589 0.772 1.00 0.00 C ATOM 963 CD ARG A 977 -9.195 9.931 0.749 1.00 0.00 C ATOM 964 NE ARG A 977 -9.839 9.962 2.060 1.00 0.00 N ATOM 965 CZ ARG A 977 -9.505 9.156 3.062 1.00 0.00 C ATOM 966 NH1 ARG A 977 -8.540 8.261 2.903 1.00 0.00 N ATOM 967 NH2 ARG A 977 -10.137 9.245 4.225 1.00 0.00 N ATOM 0 H ARG A 977 -7.326 14.417 1.257 1.00 0.00 H new ATOM 0 HA ARG A 977 -5.791 12.189 0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 977 -8.173 12.511 1.644 1.00 0.00 H new ATOM 0 HB3 ARG A 977 -8.757 12.352 -0.000 1.00 0.00 H new ATOM 0 HG2 ARG A 977 -7.221 10.206 -0.052 1.00 0.00 H new ATOM 0 HG3 ARG A 977 -7.308 10.324 1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 977 -9.829 10.439 0.022 1.00 0.00 H new ATOM 0 HD3 ARG A 977 -9.095 8.897 0.418 1.00 0.00 H new ATOM 0 HE ARG A 977 -10.586 10.639 2.214 1.00 0.00 H new ATOM 0 HH11 ARG A 977 -8.052 8.190 2.010 1.00 0.00 H new ATOM 0 HH12 ARG A 977 -8.285 7.643 3.674 1.00 0.00 H new ATOM 0 HH21 ARG A 977 -10.880 9.933 4.350 1.00 0.00 H new ATOM 0 HH22 ARG A 977 -9.880 8.626 4.994 1.00 0.00 H new ATOM 981 N ASP A 978 -7.385 13.783 -1.932 1.00 0.00 N ATOM 982 CA ASP A 978 -7.482 13.931 -3.380 1.00 0.00 C ATOM 983 C ASP A 978 -6.102 14.132 -3.999 1.00 0.00 C ATOM 984 O ASP A 978 -5.812 13.608 -5.074 1.00 0.00 O ATOM 985 CB ASP A 978 -8.389 15.111 -3.733 1.00 0.00 C ATOM 986 CG ASP A 978 -9.769 14.984 -3.118 1.00 0.00 C ATOM 987 OD1 ASP A 978 -10.220 13.840 -2.901 1.00 0.00 O ATOM 988 OD2 ASP A 978 -10.397 16.030 -2.852 1.00 0.00 O ATOM 0 H ASP A 978 -7.905 14.482 -1.401 1.00 0.00 H new ATOM 0 HA ASP A 978 -7.913 13.016 -3.786 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -7.926 16.037 -3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -8.482 15.182 -4.817 1.00 0.00 H new ATOM 993 N GLU A 979 -5.256 14.895 -3.313 1.00 0.00 N ATOM 994 CA GLU A 979 -3.908 15.166 -3.797 1.00 0.00 C ATOM 995 C GLU A 979 -3.056 13.900 -3.771 1.00 0.00 C ATOM 996 O GLU A 979 -2.320 13.615 -4.715 1.00 0.00 O ATOM 997 CB GLU A 979 -3.247 16.256 -2.951 1.00 0.00 C ATOM 998 CG GLU A 979 -3.499 17.663 -3.466 1.00 0.00 C ATOM 999 CD GLU A 979 -2.509 18.077 -4.538 1.00 0.00 C ATOM 1000 OE1 GLU A 979 -1.290 18.001 -4.279 1.00 0.00 O ATOM 1001 OE2 GLU A 979 -2.954 18.478 -5.633 1.00 0.00 O ATOM 0 H GLU A 979 -5.481 15.336 -2.421 1.00 0.00 H new ATOM 0 HA GLU A 979 -3.983 15.512 -4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 979 -3.614 16.182 -1.927 1.00 0.00 H new ATOM 0 HB3 GLU A 979 -2.172 16.077 -2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 979 -4.510 17.723 -3.868 1.00 0.00 H new ATOM 0 HG3 GLU A 979 -3.444 18.366 -2.635 1.00 0.00 H new ATOM 1008 N ALA A 980 -3.161 13.145 -2.683 1.00 0.00 N ATOM 1009 CA ALA A 980 -2.403 11.909 -2.534 1.00 0.00 C ATOM 1010 C ALA A 980 -2.733 10.924 -3.649 1.00 0.00 C ATOM 1011 O ALA A 980 -1.839 10.378 -4.296 1.00 0.00 O ATOM 1012 CB ALA A 980 -2.677 11.282 -1.175 1.00 0.00 C ATOM 0 H ALA A 980 -3.764 13.368 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 980 -1.343 12.152 -2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 980 -2.104 10.360 -1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 980 -2.383 11.976 -0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 980 -3.740 11.060 -1.084 1.00 0.00 H new ATOM 1018 N THR A 981 -4.025 10.699 -3.870 1.00 0.00 N ATOM 1019 CA THR A 981 -4.474 9.777 -4.907 1.00 0.00 C ATOM 1020 C THR A 981 -4.068 10.268 -6.292 1.00 0.00 C ATOM 1021 O THR A 981 -3.607 9.490 -7.126 1.00 0.00 O ATOM 1022 CB THR A 981 -6.002 9.590 -4.868 1.00 0.00 C ATOM 1023 OG1 THR A 981 -6.426 9.299 -3.531 1.00 0.00 O ATOM 1024 CG2 THR A 981 -6.433 8.465 -5.797 1.00 0.00 C ATOM 0 H THR A 981 -4.779 11.143 -3.345 1.00 0.00 H new ATOM 0 HA THR A 981 -3.993 8.819 -4.709 1.00 0.00 H new ATOM 0 HB THR A 981 -6.468 10.517 -5.203 1.00 0.00 H new ATOM 0 HG1 THR A 981 -6.414 10.121 -2.998 1.00 0.00 H new ATOM 0 HG21 THR A 981 -7.516 8.351 -5.753 1.00 0.00 H new ATOM 0 HG22 THR A 981 -6.134 8.702 -6.818 1.00 0.00 H new ATOM 0 HG23 THR A 981 -5.958 7.535 -5.487 1.00 0.00 H new ATOM 1032 N ALA A 982 -4.243 11.564 -6.530 1.00 0.00 N ATOM 1033 CA ALA A 982 -3.893 12.158 -7.814 1.00 0.00 C ATOM 1034 C ALA A 982 -2.406 11.990 -8.109 1.00 0.00 C ATOM 1035 O ALA A 982 -2.019 11.673 -9.233 1.00 0.00 O ATOM 1036 CB ALA A 982 -4.274 13.631 -7.835 1.00 0.00 C ATOM 0 H ALA A 982 -4.625 12.222 -5.851 1.00 0.00 H new ATOM 0 HA ALA A 982 -4.452 11.638 -8.592 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -4.007 14.062 -8.800 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -5.348 13.731 -7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -3.740 14.156 -7.043 1.00 0.00 H new ATOM 1042 N ALA A 983 -1.577 12.206 -7.093 1.00 0.00 N ATOM 1043 CA ALA A 983 -0.133 12.077 -7.244 1.00 0.00 C ATOM 1044 C ALA A 983 0.258 10.641 -7.572 1.00 0.00 C ATOM 1045 O ALA A 983 1.107 10.399 -8.430 1.00 0.00 O ATOM 1046 CB ALA A 983 0.573 12.543 -5.979 1.00 0.00 C ATOM 0 H ALA A 983 -1.881 12.471 -6.156 1.00 0.00 H new ATOM 0 HA ALA A 983 0.179 12.709 -8.075 1.00 0.00 H new ATOM 0 HB1 ALA A 983 1.651 12.441 -6.105 1.00 0.00 H new ATOM 0 HB2 ALA A 983 0.327 13.588 -5.789 1.00 0.00 H new ATOM 0 HB3 ALA A 983 0.248 11.934 -5.135 1.00 0.00 H new ATOM 1052 N VAL A 984 -0.366 9.690 -6.884 1.00 0.00 N ATOM 1053 CA VAL A 984 -0.083 8.277 -7.103 1.00 0.00 C ATOM 1054 C VAL A 984 -0.521 7.838 -8.496 1.00 0.00 C ATOM 1055 O VAL A 984 0.240 7.200 -9.225 1.00 0.00 O ATOM 1056 CB VAL A 984 -0.786 7.394 -6.055 1.00 0.00 C ATOM 1057 CG1 VAL A 984 -0.560 5.921 -6.358 1.00 0.00 C ATOM 1058 CG2 VAL A 984 -0.298 7.739 -4.656 1.00 0.00 C ATOM 0 H VAL A 984 -1.071 9.873 -6.170 1.00 0.00 H new ATOM 0 HA VAL A 984 0.996 8.153 -7.008 1.00 0.00 H new ATOM 0 HB VAL A 984 -1.857 7.589 -6.101 1.00 0.00 H new ATOM 0 HG11 VAL A 984 -1.064 5.313 -5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 984 -0.962 5.686 -7.344 1.00 0.00 H new ATOM 0 HG13 VAL A 984 0.508 5.706 -6.341 1.00 0.00 H new ATOM 0 HG21 VAL A 984 -0.805 7.106 -3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 984 0.778 7.573 -4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 984 -0.517 8.785 -4.442 1.00 0.00 H new ATOM 1068 N ILE A 985 -1.751 8.184 -8.860 1.00 0.00 N ATOM 1069 CA ILE A 985 -2.290 7.828 -10.167 1.00 0.00 C ATOM 1070 C ILE A 985 -1.450 8.427 -11.290 1.00 0.00 C ATOM 1071 O ILE A 985 -1.131 7.752 -12.268 1.00 0.00 O ATOM 1072 CB ILE A 985 -3.747 8.300 -10.323 1.00 0.00 C ATOM 1073 CG1 ILE A 985 -4.633 7.653 -9.256 1.00 0.00 C ATOM 1074 CG2 ILE A 985 -4.263 7.974 -11.716 1.00 0.00 C ATOM 1075 CD1 ILE A 985 -5.934 8.389 -9.024 1.00 0.00 C ATOM 0 H ILE A 985 -2.393 8.711 -8.268 1.00 0.00 H new ATOM 0 HA ILE A 985 -2.260 6.741 -10.235 1.00 0.00 H new ATOM 0 HB ILE A 985 -3.779 9.381 -10.189 1.00 0.00 H new ATOM 0 HG12 ILE A 985 -4.853 6.627 -9.551 1.00 0.00 H new ATOM 0 HG13 ILE A 985 -4.081 7.603 -8.318 1.00 0.00 H new ATOM 0 HG21 ILE A 985 -5.294 8.314 -11.811 1.00 0.00 H new ATOM 0 HG22 ILE A 985 -3.645 8.477 -12.460 1.00 0.00 H new ATOM 0 HG23 ILE A 985 -4.220 6.897 -11.877 1.00 0.00 H new ATOM 0 HD11 ILE A 985 -6.511 7.875 -8.256 1.00 0.00 H new ATOM 0 HD12 ILE A 985 -5.723 9.408 -8.698 1.00 0.00 H new ATOM 0 HD13 ILE A 985 -6.507 8.416 -9.951 1.00 0.00 H new ATOM 1087 N ASP A 986 -1.094 9.698 -11.141 1.00 0.00 N ATOM 1088 CA ASP A 986 -0.288 10.389 -12.141 1.00 0.00 C ATOM 1089 C ASP A 986 1.167 9.935 -12.074 1.00 0.00 C ATOM 1090 O ASP A 986 1.878 9.946 -13.080 1.00 0.00 O ATOM 1091 CB ASP A 986 -0.373 11.903 -11.939 1.00 0.00 C ATOM 1092 CG ASP A 986 -1.545 12.520 -12.676 1.00 0.00 C ATOM 1093 OD1 ASP A 986 -2.700 12.241 -12.293 1.00 0.00 O ATOM 1094 OD2 ASP A 986 -1.307 13.281 -13.637 1.00 0.00 O ATOM 0 H ASP A 986 -1.351 10.271 -10.337 1.00 0.00 H new ATOM 0 HA ASP A 986 -0.683 10.139 -13.126 1.00 0.00 H new ATOM 0 HB2 ASP A 986 -0.462 12.120 -10.875 1.00 0.00 H new ATOM 0 HB3 ASP A 986 0.553 12.365 -12.283 1.00 0.00 H new ATOM 1099 N LEU A 987 1.603 9.538 -10.884 1.00 0.00 N ATOM 1100 CA LEU A 987 2.975 9.081 -10.685 1.00 0.00 C ATOM 1101 C LEU A 987 3.009 7.598 -10.333 1.00 0.00 C ATOM 1102 O LEU A 987 3.895 7.141 -9.613 1.00 0.00 O ATOM 1103 CB LEU A 987 3.649 9.895 -9.580 1.00 0.00 C ATOM 1104 CG LEU A 987 3.399 11.404 -9.609 1.00 0.00 C ATOM 1105 CD1 LEU A 987 3.532 11.994 -8.214 1.00 0.00 C ATOM 1106 CD2 LEU A 987 4.360 12.085 -10.572 1.00 0.00 C ATOM 0 H LEU A 987 1.027 9.523 -10.042 1.00 0.00 H new ATOM 0 HA LEU A 987 3.519 9.226 -11.618 1.00 0.00 H new ATOM 0 HB2 LEU A 987 3.314 9.510 -8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 987 4.724 9.724 -9.635 1.00 0.00 H new ATOM 0 HG LEU A 987 2.381 11.578 -9.959 1.00 0.00 H new ATOM 0 HD11 LEU A 987 3.351 13.068 -8.254 1.00 0.00 H new ATOM 0 HD12 LEU A 987 2.803 11.528 -7.551 1.00 0.00 H new ATOM 0 HD13 LEU A 987 4.537 11.810 -7.835 1.00 0.00 H new ATOM 0 HD21 LEU A 987 4.168 13.158 -10.580 1.00 0.00 H new ATOM 0 HD22 LEU A 987 5.386 11.902 -10.252 1.00 0.00 H new ATOM 0 HD23 LEU A 987 4.216 11.683 -11.575 1.00 0.00 H new ATOM 1118 N ASN A 988 2.038 6.850 -10.849 1.00 0.00 N ATOM 1119 CA ASN A 988 1.958 5.417 -10.590 1.00 0.00 C ATOM 1120 C ASN A 988 2.778 4.633 -11.611 1.00 0.00 C ATOM 1121 O ASN A 988 2.673 4.865 -12.816 1.00 0.00 O ATOM 1122 CB ASN A 988 0.501 4.952 -10.625 1.00 0.00 C ATOM 1123 CG ASN A 988 0.364 3.511 -11.078 1.00 0.00 C ATOM 1124 OD1 ASN A 988 0.029 3.241 -12.232 1.00 0.00 O ATOM 1125 ND2 ASN A 988 0.623 2.578 -10.169 1.00 0.00 N ATOM 0 H ASN A 988 1.297 7.213 -11.448 1.00 0.00 H new ATOM 0 HA ASN A 988 2.369 5.229 -9.598 1.00 0.00 H new ATOM 0 HB2 ASN A 988 0.064 5.061 -9.632 1.00 0.00 H new ATOM 0 HB3 ASN A 988 -0.067 5.596 -11.296 1.00 0.00 H new ATOM 0 HD21 ASN A 988 0.548 1.591 -10.415 1.00 0.00 H new ATOM 0 HD22 ASN A 988 0.897 2.848 -9.225 1.00 0.00 H new ATOM 1132 N ASP A 989 3.592 3.706 -11.121 1.00 0.00 N ATOM 1133 CA ASP A 989 4.429 2.886 -11.989 1.00 0.00 C ATOM 1134 C ASP A 989 5.310 3.760 -12.877 1.00 0.00 C ATOM 1135 O ASP A 989 5.454 3.500 -14.072 1.00 0.00 O ATOM 1136 CB ASP A 989 3.561 1.971 -12.854 1.00 0.00 C ATOM 1137 CG ASP A 989 3.193 0.682 -12.144 1.00 0.00 C ATOM 1138 OD1 ASP A 989 4.101 0.037 -11.579 1.00 0.00 O ATOM 1139 OD2 ASP A 989 1.998 0.318 -12.155 1.00 0.00 O ATOM 0 H ASP A 989 3.691 3.503 -10.126 1.00 0.00 H new ATOM 0 HA ASP A 989 5.073 2.273 -11.358 1.00 0.00 H new ATOM 0 HB2 ASP A 989 2.651 2.499 -13.137 1.00 0.00 H new ATOM 0 HB3 ASP A 989 4.093 1.736 -13.776 1.00 0.00 H new ATOM 1144 N ARG A 990 5.895 4.796 -12.286 1.00 0.00 N ATOM 1145 CA ARG A 990 6.759 5.709 -13.024 1.00 0.00 C ATOM 1146 C ARG A 990 8.194 5.192 -13.056 1.00 0.00 C ATOM 1147 O ARG A 990 8.749 4.765 -12.043 1.00 0.00 O ATOM 1148 CB ARG A 990 6.721 7.102 -12.393 1.00 0.00 C ATOM 1149 CG ARG A 990 5.633 7.999 -12.961 1.00 0.00 C ATOM 1150 CD ARG A 990 5.968 9.470 -12.773 1.00 0.00 C ATOM 1151 NE ARG A 990 7.169 9.856 -13.510 1.00 0.00 N ATOM 1152 CZ ARG A 990 7.197 10.041 -14.825 1.00 0.00 C ATOM 1153 NH1 ARG A 990 6.096 9.876 -15.544 1.00 0.00 N ATOM 1154 NH2 ARG A 990 8.329 10.391 -15.422 1.00 0.00 N ATOM 0 H ARG A 990 5.786 5.024 -11.298 1.00 0.00 H new ATOM 0 HA ARG A 990 6.391 5.771 -14.048 1.00 0.00 H new ATOM 0 HB2 ARG A 990 6.572 7.001 -11.318 1.00 0.00 H new ATOM 0 HB3 ARG A 990 7.688 7.583 -12.537 1.00 0.00 H new ATOM 0 HG2 ARG A 990 5.503 7.787 -14.022 1.00 0.00 H new ATOM 0 HG3 ARG A 990 4.684 7.776 -12.473 1.00 0.00 H new ATOM 0 HD2 ARG A 990 5.127 10.079 -13.106 1.00 0.00 H new ATOM 0 HD3 ARG A 990 6.111 9.677 -11.712 1.00 0.00 H new ATOM 0 HE ARG A 990 8.034 9.991 -12.986 1.00 0.00 H new ATOM 0 HH11 ARG A 990 5.225 9.606 -15.088 1.00 0.00 H new ATOM 0 HH12 ARG A 990 6.120 10.019 -16.554 1.00 0.00 H new ATOM 0 HH21 ARG A 990 9.178 10.518 -14.871 1.00 0.00 H new ATOM 0 HH22 ARG A 990 8.350 10.533 -16.432 1.00 0.00 H new ATOM 1168 N PRO A 991 8.811 5.232 -14.246 1.00 0.00 N ATOM 1169 CA PRO A 991 10.190 4.772 -14.439 1.00 0.00 C ATOM 1170 C PRO A 991 11.207 5.691 -13.771 1.00 0.00 C ATOM 1171 O PRO A 991 11.775 6.574 -14.415 1.00 0.00 O ATOM 1172 CB PRO A 991 10.363 4.797 -15.960 1.00 0.00 C ATOM 1173 CG PRO A 991 9.381 5.812 -16.435 1.00 0.00 C ATOM 1174 CD PRO A 991 8.211 5.729 -15.495 1.00 0.00 C ATOM 0 HA PRO A 991 10.359 3.792 -13.994 1.00 0.00 H new ATOM 0 HB2 PRO A 991 11.381 5.070 -16.238 1.00 0.00 H new ATOM 0 HB3 PRO A 991 10.164 3.819 -16.397 1.00 0.00 H new ATOM 0 HG2 PRO A 991 9.818 6.811 -16.427 1.00 0.00 H new ATOM 0 HG3 PRO A 991 9.073 5.607 -17.460 1.00 0.00 H new ATOM 0 HD2 PRO A 991 7.739 6.701 -15.355 1.00 0.00 H new ATOM 0 HD3 PRO A 991 7.443 5.052 -15.869 1.00 0.00 H new ATOM 1182 N ILE A 992 11.431 5.479 -12.479 1.00 0.00 N ATOM 1183 CA ILE A 992 12.381 6.288 -11.726 1.00 0.00 C ATOM 1184 C ILE A 992 13.807 5.783 -11.917 1.00 0.00 C ATOM 1185 O ILE A 992 14.085 4.597 -11.745 1.00 0.00 O ATOM 1186 CB ILE A 992 12.048 6.294 -10.223 1.00 0.00 C ATOM 1187 CG1 ILE A 992 10.854 7.211 -9.946 1.00 0.00 C ATOM 1188 CG2 ILE A 992 13.259 6.734 -9.413 1.00 0.00 C ATOM 1189 CD1 ILE A 992 10.607 7.454 -8.474 1.00 0.00 C ATOM 0 H ILE A 992 10.968 4.754 -11.932 1.00 0.00 H new ATOM 0 HA ILE A 992 12.304 7.305 -12.111 1.00 0.00 H new ATOM 0 HB ILE A 992 11.782 5.281 -9.921 1.00 0.00 H new ATOM 0 HG12 ILE A 992 11.019 8.168 -10.441 1.00 0.00 H new ATOM 0 HG13 ILE A 992 9.959 6.773 -10.389 1.00 0.00 H new ATOM 0 HG21 ILE A 992 13.007 6.733 -8.352 1.00 0.00 H new ATOM 0 HG22 ILE A 992 14.085 6.045 -9.591 1.00 0.00 H new ATOM 0 HG23 ILE A 992 13.553 7.739 -9.715 1.00 0.00 H new ATOM 0 HD11 ILE A 992 9.746 8.112 -8.353 1.00 0.00 H new ATOM 0 HD12 ILE A 992 10.410 6.504 -7.976 1.00 0.00 H new ATOM 0 HD13 ILE A 992 11.486 7.921 -8.030 1.00 0.00 H new ATOM 1201 N GLY A 993 14.709 6.692 -12.273 1.00 0.00 N ATOM 1202 CA GLY A 993 16.096 6.320 -12.480 1.00 0.00 C ATOM 1203 C GLY A 993 16.259 5.268 -13.559 1.00 0.00 C ATOM 1204 O GLY A 993 16.375 5.593 -14.741 1.00 0.00 O ATOM 0 H GLY A 993 14.504 7.680 -12.422 1.00 0.00 H new ATOM 0 HA2 GLY A 993 16.670 7.206 -12.751 1.00 0.00 H new ATOM 0 HA3 GLY A 993 16.512 5.945 -11.545 1.00 0.00 H new ATOM 1208 N SER A 994 16.271 4.002 -13.152 1.00 0.00 N ATOM 1209 CA SER A 994 16.427 2.899 -14.092 1.00 0.00 C ATOM 1210 C SER A 994 15.387 1.812 -13.832 1.00 0.00 C ATOM 1211 O SER A 994 15.331 0.809 -14.543 1.00 0.00 O ATOM 1212 CB SER A 994 17.835 2.308 -13.989 1.00 0.00 C ATOM 1213 OG SER A 994 18.067 1.765 -12.702 1.00 0.00 O ATOM 0 H SER A 994 16.175 3.716 -12.178 1.00 0.00 H new ATOM 0 HA SER A 994 16.277 3.289 -15.099 1.00 0.00 H new ATOM 0 HB2 SER A 994 17.963 1.531 -14.743 1.00 0.00 H new ATOM 0 HB3 SER A 994 18.574 3.081 -14.199 1.00 0.00 H new ATOM 0 HG SER A 994 18.973 1.392 -12.663 1.00 0.00 H new ATOM 1219 N ARG A 995 14.566 2.021 -12.808 1.00 0.00 N ATOM 1220 CA ARG A 995 13.529 1.060 -12.452 1.00 0.00 C ATOM 1221 C ARG A 995 12.198 1.763 -12.206 1.00 0.00 C ATOM 1222 O ARG A 995 12.154 2.975 -11.988 1.00 0.00 O ATOM 1223 CB ARG A 995 13.940 0.272 -11.207 1.00 0.00 C ATOM 1224 CG ARG A 995 15.347 -0.299 -11.284 1.00 0.00 C ATOM 1225 CD ARG A 995 15.647 -1.202 -10.098 1.00 0.00 C ATOM 1226 NE ARG A 995 16.699 -2.169 -10.399 1.00 0.00 N ATOM 1227 CZ ARG A 995 17.200 -3.012 -9.503 1.00 0.00 C ATOM 1228 NH1 ARG A 995 16.748 -3.007 -8.257 1.00 0.00 N ATOM 1229 NH2 ARG A 995 18.156 -3.863 -9.854 1.00 0.00 N ATOM 0 H ARG A 995 14.599 2.847 -12.210 1.00 0.00 H new ATOM 0 HA ARG A 995 13.407 0.369 -13.286 1.00 0.00 H new ATOM 0 HB2 ARG A 995 13.868 0.923 -10.336 1.00 0.00 H new ATOM 0 HB3 ARG A 995 13.234 -0.544 -11.054 1.00 0.00 H new ATOM 0 HG2 ARG A 995 15.462 -0.862 -12.210 1.00 0.00 H new ATOM 0 HG3 ARG A 995 16.070 0.516 -11.315 1.00 0.00 H new ATOM 0 HD2 ARG A 995 15.948 -0.593 -9.246 1.00 0.00 H new ATOM 0 HD3 ARG A 995 14.740 -1.732 -9.807 1.00 0.00 H new ATOM 0 HE ARG A 995 17.069 -2.199 -11.349 1.00 0.00 H new ATOM 0 HH11 ARG A 995 16.013 -2.354 -7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 995 17.135 -3.656 -7.572 1.00 0.00 H new ATOM 0 HH21 ARG A 995 18.506 -3.870 -10.812 1.00 0.00 H new ATOM 0 HH22 ARG A 995 18.541 -4.510 -9.166 1.00 0.00 H new ATOM 1243 N LYS A 996 11.114 0.996 -12.243 1.00 0.00 N ATOM 1244 CA LYS A 996 9.780 1.544 -12.023 1.00 0.00 C ATOM 1245 C LYS A 996 9.406 1.489 -10.545 1.00 0.00 C ATOM 1246 O LYS A 996 9.691 0.508 -9.859 1.00 0.00 O ATOM 1247 CB LYS A 996 8.748 0.775 -12.850 1.00 0.00 C ATOM 1248 CG LYS A 996 8.997 0.840 -14.347 1.00 0.00 C ATOM 1249 CD LYS A 996 8.203 -0.220 -15.092 1.00 0.00 C ATOM 1250 CE LYS A 996 8.074 0.115 -16.570 1.00 0.00 C ATOM 1251 NZ LYS A 996 9.383 0.027 -17.275 1.00 0.00 N ATOM 0 H LYS A 996 11.133 -0.008 -12.423 1.00 0.00 H new ATOM 0 HA LYS A 996 9.786 2.587 -12.339 1.00 0.00 H new ATOM 0 HB2 LYS A 996 8.747 -0.269 -12.535 1.00 0.00 H new ATOM 0 HB3 LYS A 996 7.756 1.173 -12.638 1.00 0.00 H new ATOM 0 HG2 LYS A 996 8.725 1.828 -14.719 1.00 0.00 H new ATOM 0 HG3 LYS A 996 10.060 0.706 -14.546 1.00 0.00 H new ATOM 0 HD2 LYS A 996 8.691 -1.188 -14.979 1.00 0.00 H new ATOM 0 HD3 LYS A 996 7.211 -0.310 -14.650 1.00 0.00 H new ATOM 0 HE2 LYS A 996 7.364 -0.568 -17.036 1.00 0.00 H new ATOM 0 HE3 LYS A 996 7.669 1.121 -16.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 996 9.253 0.262 -18.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 996 10.054 0.697 -16.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 996 9.758 -0.940 -17.192 1.00 0.00 H new ATOM 1265 N VAL A 997 8.765 2.548 -10.062 1.00 0.00 N ATOM 1266 CA VAL A 997 8.349 2.619 -8.666 1.00 0.00 C ATOM 1267 C VAL A 997 6.866 2.298 -8.518 1.00 0.00 C ATOM 1268 O VAL A 997 6.073 2.537 -9.428 1.00 0.00 O ATOM 1269 CB VAL A 997 8.624 4.012 -8.069 1.00 0.00 C ATOM 1270 CG1 VAL A 997 10.084 4.140 -7.662 1.00 0.00 C ATOM 1271 CG2 VAL A 997 8.240 5.101 -9.059 1.00 0.00 C ATOM 0 H VAL A 997 8.522 3.369 -10.617 1.00 0.00 H new ATOM 0 HA VAL A 997 8.934 1.877 -8.123 1.00 0.00 H new ATOM 0 HB VAL A 997 8.011 4.133 -7.176 1.00 0.00 H new ATOM 0 HG11 VAL A 997 10.259 5.131 -7.242 1.00 0.00 H new ATOM 0 HG12 VAL A 997 10.321 3.382 -6.915 1.00 0.00 H new ATOM 0 HG13 VAL A 997 10.719 3.999 -8.536 1.00 0.00 H new ATOM 0 HG21 VAL A 997 8.441 6.079 -8.621 1.00 0.00 H new ATOM 0 HG22 VAL A 997 8.825 4.986 -9.972 1.00 0.00 H new ATOM 0 HG23 VAL A 997 7.179 5.020 -9.295 1.00 0.00 H new ATOM 1281 N LYS A 998 6.497 1.755 -7.362 1.00 0.00 N ATOM 1282 CA LYS A 998 5.109 1.402 -7.091 1.00 0.00 C ATOM 1283 C LYS A 998 4.540 2.258 -5.965 1.00 0.00 C ATOM 1284 O LYS A 998 5.110 2.329 -4.876 1.00 0.00 O ATOM 1285 CB LYS A 998 5.000 -0.080 -6.725 1.00 0.00 C ATOM 1286 CG LYS A 998 3.593 -0.513 -6.351 1.00 0.00 C ATOM 1287 CD LYS A 998 2.626 -0.323 -7.507 1.00 0.00 C ATOM 1288 CE LYS A 998 1.181 -0.471 -7.055 1.00 0.00 C ATOM 1289 NZ LYS A 998 0.869 -1.867 -6.643 1.00 0.00 N ATOM 0 H LYS A 998 7.141 1.550 -6.598 1.00 0.00 H new ATOM 0 HA LYS A 998 4.529 1.590 -7.995 1.00 0.00 H new ATOM 0 HB2 LYS A 998 5.344 -0.680 -7.568 1.00 0.00 H new ATOM 0 HB3 LYS A 998 5.669 -0.290 -5.891 1.00 0.00 H new ATOM 0 HG2 LYS A 998 3.601 -1.561 -6.051 1.00 0.00 H new ATOM 0 HG3 LYS A 998 3.251 0.062 -5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 998 2.772 0.664 -7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 998 2.841 -1.054 -8.287 1.00 0.00 H new ATOM 0 HE2 LYS A 998 0.990 0.205 -6.221 1.00 0.00 H new ATOM 0 HE3 LYS A 998 0.515 -0.174 -7.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 998 -0.125 -1.926 -6.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 998 1.026 -2.509 -7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 998 1.487 -2.142 -5.853 1.00 0.00 H new ATOM 1303 N LEU A 999 3.411 2.906 -6.233 1.00 0.00 N ATOM 1304 CA LEU A 999 2.763 3.757 -5.240 1.00 0.00 C ATOM 1305 C LEU A 999 1.448 3.143 -4.772 1.00 0.00 C ATOM 1306 O LEU A 999 0.624 2.721 -5.584 1.00 0.00 O ATOM 1307 CB LEU A 999 2.511 5.149 -5.821 1.00 0.00 C ATOM 1308 CG LEU A 999 3.754 5.994 -6.103 1.00 0.00 C ATOM 1309 CD1 LEU A 999 3.404 7.178 -6.990 1.00 0.00 C ATOM 1310 CD2 LEU A 999 4.383 6.468 -4.801 1.00 0.00 C ATOM 0 H LEU A 999 2.926 2.858 -7.129 1.00 0.00 H new ATOM 0 HA LEU A 999 3.428 3.843 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 999 1.954 5.037 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 999 1.872 5.699 -5.130 1.00 0.00 H new ATOM 0 HG LEU A 999 4.480 5.374 -6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 999 4.301 7.768 -7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 999 3.000 6.817 -7.936 1.00 0.00 H new ATOM 0 HD13 LEU A 999 2.660 7.799 -6.491 1.00 0.00 H new ATOM 0 HD21 LEU A 999 5.266 7.068 -5.021 1.00 0.00 H new ATOM 0 HD22 LEU A 999 3.663 7.071 -4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 999 4.671 5.605 -4.201 1.00 0.00 H new ATOM 1322 N VAL A1000 1.257 3.097 -3.457 1.00 0.00 N ATOM 1323 CA VAL A1000 0.040 2.538 -2.881 1.00 0.00 C ATOM 1324 C VAL A1000 -0.558 3.480 -1.841 1.00 0.00 C ATOM 1325 O VAL A1000 0.160 4.058 -1.025 1.00 0.00 O ATOM 1326 CB VAL A1000 0.307 1.170 -2.225 1.00 0.00 C ATOM 1327 CG1 VAL A1000 -0.966 0.620 -1.600 1.00 0.00 C ATOM 1328 CG2 VAL A1000 0.877 0.194 -3.243 1.00 0.00 C ATOM 0 H VAL A1000 1.929 3.440 -2.771 1.00 0.00 H new ATOM 0 HA VAL A1000 -0.668 2.408 -3.700 1.00 0.00 H new ATOM 0 HB VAL A1000 1.043 1.303 -1.432 1.00 0.00 H new ATOM 0 HG11 VAL A1000 -0.758 -0.347 -1.142 1.00 0.00 H new ATOM 0 HG12 VAL A1000 -1.326 1.312 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL A1000 -1.727 0.500 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL A1000 1.060 -0.767 -2.763 1.00 0.00 H new ATOM 0 HG22 VAL A1000 0.166 0.063 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A1000 1.814 0.586 -3.638 1.00 0.00 H new ATOM 1338 N LEU A1001 -1.878 3.629 -1.877 1.00 0.00 N ATOM 1339 CA LEU A1001 -2.575 4.500 -0.937 1.00 0.00 C ATOM 1340 C LEU A1001 -2.600 3.887 0.459 1.00 0.00 C ATOM 1341 O LEU A1001 -2.924 2.712 0.626 1.00 0.00 O ATOM 1342 CB LEU A1001 -4.004 4.762 -1.417 1.00 0.00 C ATOM 1343 CG LEU A1001 -4.185 5.941 -2.374 1.00 0.00 C ATOM 1344 CD1 LEU A1001 -5.516 5.837 -3.102 1.00 0.00 C ATOM 1345 CD2 LEU A1001 -4.089 7.259 -1.620 1.00 0.00 C ATOM 0 H LEU A1001 -2.487 3.158 -2.547 1.00 0.00 H new ATOM 0 HA LEU A1001 -2.035 5.446 -0.888 1.00 0.00 H new ATOM 0 HB2 LEU A1001 -4.372 3.861 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A1001 -4.635 4.929 -0.544 1.00 0.00 H new ATOM 0 HG LEU A1001 -3.386 5.910 -3.114 1.00 0.00 H new ATOM 0 HD11 LEU A1001 -5.628 6.684 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A1001 -5.546 4.909 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A1001 -6.329 5.843 -2.376 1.00 0.00 H new ATOM 0 HD21 LEU A1001 -4.220 8.087 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A1001 -4.867 7.300 -0.858 1.00 0.00 H new ATOM 0 HD23 LEU A1001 -3.111 7.336 -1.145 1.00 0.00 H new ATOM 1357 N GLY A1002 -2.256 4.692 1.460 1.00 0.00 N ATOM 1358 CA GLY A1002 -2.247 4.211 2.829 1.00 0.00 C ATOM 1359 C GLY A1002 -3.494 3.421 3.174 1.00 0.00 C ATOM 1360 O GLY A1002 -3.453 2.196 3.277 1.00 0.00 O ATOM 0 H GLY A1002 -1.983 5.668 1.347 1.00 0.00 H new ATOM 0 HA2 GLY A1002 -1.369 3.584 2.985 1.00 0.00 H new ATOM 0 HA3 GLY A1002 -2.158 5.059 3.508 1.00 0.00 H new