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 -150:sc=-0.00736 USER MOD Single : A 929 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 931 GLN : amide:sc= -0.404 X(o=-0.4,f=0) USER MOD Single : A 932 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.1) USER MOD Single : A 933 MET CE :methyl -173:sc= -1.62 (180deg=-1.68) 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= -0.513 USER MOD Single : A 950 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.7) USER MOD Single : A 955 SER OG : rot -70:sc= 0.971 USER MOD Single : A 957 CYS SG : rot 62:sc= 0.943 USER MOD Single : A 959 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 960 TYR OH : rot 180:sc= 0 USER MOD Single : A 961 ASN : amide:sc= -3.54! C(o=-3.5!,f=-4.9!) 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 115:sc= 0.00928 USER MOD Single : A 971 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 976 SER OG : rot 170:sc= 0 USER MOD Single : A 981 THR OG1 : rot 180:sc= 0 USER MOD Single : A 988 ASN : amide:sc= 0.00795 X(o=0.008,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+ -169:sc= 0 (180deg=-0.0227) USER MOD ----------------------------------------------------------------- ATOM 148 N PRO A 925 -3.866 12.786 7.922 1.00 0.00 N ATOM 149 CA PRO A 925 -3.487 12.880 6.509 1.00 0.00 C ATOM 150 C PRO A 925 -3.348 11.511 5.854 1.00 0.00 C ATOM 151 O PRO A 925 -3.369 10.482 6.530 1.00 0.00 O ATOM 152 CB PRO A 925 -2.133 13.593 6.552 1.00 0.00 C ATOM 153 CG PRO A 925 -1.584 13.282 7.901 1.00 0.00 C ATOM 154 CD PRO A 925 -2.771 13.189 8.820 1.00 0.00 C ATOM 0 HA PRO A 925 -4.240 13.402 5.919 1.00 0.00 H new ATOM 0 HB2 PRO A 925 -1.472 13.235 5.763 1.00 0.00 H new ATOM 0 HB3 PRO A 925 -2.247 14.668 6.409 1.00 0.00 H new ATOM 0 HG2 PRO A 925 -1.026 12.346 7.889 1.00 0.00 H new ATOM 0 HG3 PRO A 925 -0.895 14.060 8.231 1.00 0.00 H new ATOM 0 HD2 PRO A 925 -2.610 12.457 9.611 1.00 0.00 H new ATOM 0 HD3 PRO A 925 -2.979 14.143 9.305 1.00 0.00 H new ATOM 162 N THR A 926 -3.204 11.504 4.532 1.00 0.00 N ATOM 163 CA THR A 926 -3.062 10.260 3.785 1.00 0.00 C ATOM 164 C THR A 926 -1.593 9.888 3.612 1.00 0.00 C ATOM 165 O THR A 926 -0.798 10.682 3.109 1.00 0.00 O ATOM 166 CB THR A 926 -3.722 10.360 2.397 1.00 0.00 C ATOM 167 OG1 THR A 926 -5.115 10.657 2.538 1.00 0.00 O ATOM 168 CG2 THR A 926 -3.550 9.062 1.622 1.00 0.00 C ATOM 0 H THR A 926 -3.183 12.346 3.957 1.00 0.00 H new ATOM 0 HA THR A 926 -3.565 9.484 4.363 1.00 0.00 H new ATOM 0 HB THR A 926 -3.234 11.162 1.843 1.00 0.00 H new ATOM 0 HG1 THR A 926 -5.610 10.269 1.786 1.00 0.00 H new ATOM 0 HG21 THR A 926 -4.024 9.156 0.645 1.00 0.00 H new ATOM 0 HG22 THR A 926 -2.488 8.854 1.492 1.00 0.00 H new ATOM 0 HG23 THR A 926 -4.015 8.245 2.174 1.00 0.00 H new ATOM 176 N ILE A 927 -1.242 8.677 4.030 1.00 0.00 N ATOM 177 CA ILE A 927 0.131 8.200 3.918 1.00 0.00 C ATOM 178 C ILE A 927 0.302 7.297 2.701 1.00 0.00 C ATOM 179 O ILE A 927 -0.431 6.322 2.531 1.00 0.00 O ATOM 180 CB ILE A 927 0.564 7.429 5.180 1.00 0.00 C ATOM 181 CG1 ILE A 927 0.485 8.336 6.410 1.00 0.00 C ATOM 182 CG2 ILE A 927 1.972 6.880 5.009 1.00 0.00 C ATOM 183 CD1 ILE A 927 1.733 9.163 6.631 1.00 0.00 C ATOM 0 H ILE A 927 -1.889 8.009 4.449 1.00 0.00 H new ATOM 0 HA ILE A 927 0.763 9.081 3.805 1.00 0.00 H new ATOM 0 HB ILE A 927 -0.116 6.590 5.326 1.00 0.00 H new ATOM 0 HG12 ILE A 927 -0.370 9.004 6.305 1.00 0.00 H new ATOM 0 HG13 ILE A 927 0.304 7.723 7.293 1.00 0.00 H new ATOM 0 HG21 ILE A 927 2.263 6.338 5.909 1.00 0.00 H new ATOM 0 HG22 ILE A 927 1.998 6.204 4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 927 2.666 7.704 4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 927 1.607 9.782 7.519 1.00 0.00 H new ATOM 0 HD12 ILE A 927 2.588 8.501 6.768 1.00 0.00 H new ATOM 0 HD13 ILE A 927 1.904 9.802 5.765 1.00 0.00 H new ATOM 195 N ILE A 928 1.276 7.626 1.859 1.00 0.00 N ATOM 196 CA ILE A 928 1.545 6.844 0.660 1.00 0.00 C ATOM 197 C ILE A 928 2.807 6.004 0.823 1.00 0.00 C ATOM 198 O ILE A 928 3.763 6.419 1.479 1.00 0.00 O ATOM 199 CB ILE A 928 1.699 7.746 -0.579 1.00 0.00 C ATOM 200 CG1 ILE A 928 0.383 8.466 -0.880 1.00 0.00 C ATOM 201 CG2 ILE A 928 2.148 6.926 -1.779 1.00 0.00 C ATOM 202 CD1 ILE A 928 0.523 9.585 -1.888 1.00 0.00 C ATOM 0 H ILE A 928 1.892 8.429 1.986 1.00 0.00 H new ATOM 0 HA ILE A 928 0.689 6.185 0.515 1.00 0.00 H new ATOM 0 HB ILE A 928 2.462 8.496 -0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 928 -0.341 7.741 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 928 -0.020 8.872 0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 928 2.252 7.578 -2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 928 3.107 6.456 -1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 928 1.407 6.155 -1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 928 -0.449 10.050 -2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 928 1.223 10.330 -1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 928 0.896 9.182 -2.829 1.00 0.00 H new ATOM 214 N LYS A 929 2.805 4.819 0.221 1.00 0.00 N ATOM 215 CA LYS A 929 3.950 3.920 0.296 1.00 0.00 C ATOM 216 C LYS A 929 4.631 3.791 -1.062 1.00 0.00 C ATOM 217 O LYS A 929 3.970 3.609 -2.085 1.00 0.00 O ATOM 218 CB LYS A 929 3.510 2.540 0.791 1.00 0.00 C ATOM 219 CG LYS A 929 3.390 2.445 2.302 1.00 0.00 C ATOM 220 CD LYS A 929 2.709 1.155 2.727 1.00 0.00 C ATOM 221 CE LYS A 929 1.194 1.293 2.709 1.00 0.00 C ATOM 222 NZ LYS A 929 0.516 -0.025 2.855 1.00 0.00 N ATOM 0 H LYS A 929 2.022 4.459 -0.325 1.00 0.00 H new ATOM 0 HA LYS A 929 4.665 4.342 1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 929 2.548 2.292 0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 929 4.225 1.794 0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 929 4.382 2.499 2.751 1.00 0.00 H new ATOM 0 HG3 LYS A 929 2.824 3.297 2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 929 3.010 0.347 2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 929 3.039 0.881 3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 929 0.880 1.955 3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 929 0.883 1.760 1.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 -0.515 0.111 2.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 0.796 -0.648 2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 0.793 -0.460 3.758 1.00 0.00 H new ATOM 236 N VAL A 930 5.957 3.886 -1.066 1.00 0.00 N ATOM 237 CA VAL A 930 6.728 3.778 -2.299 1.00 0.00 C ATOM 238 C VAL A 930 7.640 2.556 -2.272 1.00 0.00 C ATOM 239 O VAL A 930 8.405 2.363 -1.328 1.00 0.00 O ATOM 240 CB VAL A 930 7.581 5.037 -2.540 1.00 0.00 C ATOM 241 CG1 VAL A 930 8.225 4.991 -3.918 1.00 0.00 C ATOM 242 CG2 VAL A 930 6.736 6.292 -2.379 1.00 0.00 C ATOM 0 H VAL A 930 6.520 4.038 -0.229 1.00 0.00 H new ATOM 0 HA VAL A 930 6.010 3.674 -3.113 1.00 0.00 H new ATOM 0 HB VAL A 930 8.376 5.064 -1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 930 8.824 5.889 -4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 930 8.865 4.112 -3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 930 7.448 4.939 -4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 930 7.355 7.172 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 930 5.919 6.275 -3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 930 6.328 6.329 -1.369 1.00 0.00 H new ATOM 252 N GLN A 931 7.553 1.736 -3.314 1.00 0.00 N ATOM 253 CA GLN A 931 8.370 0.533 -3.408 1.00 0.00 C ATOM 254 C GLN A 931 8.984 0.400 -4.798 1.00 0.00 C ATOM 255 O GLN A 931 8.629 1.136 -5.717 1.00 0.00 O ATOM 256 CB GLN A 931 7.532 -0.706 -3.088 1.00 0.00 C ATOM 257 CG GLN A 931 8.279 -1.753 -2.277 1.00 0.00 C ATOM 258 CD GLN A 931 7.478 -2.253 -1.091 1.00 0.00 C ATOM 259 OE1 GLN A 931 7.245 -3.454 -0.947 1.00 0.00 O ATOM 260 NE2 GLN A 931 7.053 -1.333 -0.233 1.00 0.00 N ATOM 0 H GLN A 931 6.925 1.883 -4.104 1.00 0.00 H new ATOM 0 HA GLN A 931 9.177 0.615 -2.680 1.00 0.00 H new ATOM 0 HB2 GLN A 931 6.642 -0.400 -2.539 1.00 0.00 H new ATOM 0 HB3 GLN A 931 7.192 -1.156 -4.021 1.00 0.00 H new ATOM 0 HG2 GLN A 931 8.531 -2.595 -2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 931 9.219 -1.330 -1.923 1.00 0.00 H new ATOM 0 HE21 GLN A 931 7.269 -0.349 -0.392 1.00 0.00 H new ATOM 0 HE22 GLN A 931 6.510 -1.610 0.585 1.00 0.00 H new ATOM 269 N ASN A 932 9.908 -0.545 -4.944 1.00 0.00 N ATOM 270 CA ASN A 932 10.572 -0.774 -6.222 1.00 0.00 C ATOM 271 C ASN A 932 11.433 0.425 -6.610 1.00 0.00 C ATOM 272 O ASN A 932 11.320 0.950 -7.717 1.00 0.00 O ATOM 273 CB ASN A 932 9.539 -1.049 -7.316 1.00 0.00 C ATOM 274 CG ASN A 932 10.093 -1.914 -8.431 1.00 0.00 C ATOM 275 OD1 ASN A 932 9.519 -2.948 -8.774 1.00 0.00 O ATOM 276 ND2 ASN A 932 11.216 -1.494 -9.003 1.00 0.00 N ATOM 0 H ASN A 932 10.214 -1.164 -4.193 1.00 0.00 H new ATOM 0 HA ASN A 932 11.219 -1.645 -6.116 1.00 0.00 H new ATOM 0 HB2 ASN A 932 8.671 -1.540 -6.877 1.00 0.00 H new ATOM 0 HB3 ASN A 932 9.194 -0.102 -7.732 1.00 0.00 H new ATOM 0 HD21 ASN A 932 11.637 -2.035 -9.759 1.00 0.00 H new ATOM 0 HD22 ASN A 932 11.658 -0.631 -8.687 1.00 0.00 H new ATOM 283 N MET A 933 12.293 0.852 -5.691 1.00 0.00 N ATOM 284 CA MET A 933 13.174 1.987 -5.938 1.00 0.00 C ATOM 285 C MET A 933 14.638 1.566 -5.859 1.00 0.00 C ATOM 286 O MET A 933 15.074 0.925 -4.902 1.00 0.00 O ATOM 287 CB MET A 933 12.897 3.104 -4.929 1.00 0.00 C ATOM 288 CG MET A 933 11.848 4.099 -5.397 1.00 0.00 C ATOM 289 SD MET A 933 11.780 5.575 -4.364 1.00 0.00 S ATOM 290 CE MET A 933 11.650 4.842 -2.735 1.00 0.00 C ATOM 0 H MET A 933 12.398 0.429 -4.769 1.00 0.00 H new ATOM 0 HA MET A 933 12.975 2.358 -6.943 1.00 0.00 H new ATOM 0 HB2 MET A 933 12.571 2.660 -3.988 1.00 0.00 H new ATOM 0 HB3 MET A 933 13.826 3.637 -4.725 1.00 0.00 H new ATOM 0 HG2 MET A 933 12.062 4.390 -6.425 1.00 0.00 H new ATOM 0 HG3 MET A 933 10.871 3.616 -5.399 1.00 0.00 H new ATOM 0 HE1 MET A 933 11.474 5.624 -1.997 1.00 0.00 H new ATOM 0 HE2 MET A 933 10.821 4.135 -2.719 1.00 0.00 H new ATOM 0 HE3 MET A 933 12.576 4.320 -2.496 1.00 0.00 H new ATOM 300 N PRO A 934 15.417 1.934 -6.887 1.00 0.00 N ATOM 301 CA PRO A 934 16.843 1.605 -6.957 1.00 0.00 C ATOM 302 C PRO A 934 17.667 2.376 -5.930 1.00 0.00 C ATOM 303 O PRO A 934 17.161 3.283 -5.268 1.00 0.00 O ATOM 304 CB PRO A 934 17.234 2.021 -8.377 1.00 0.00 C ATOM 305 CG PRO A 934 16.248 3.074 -8.749 1.00 0.00 C ATOM 306 CD PRO A 934 14.964 2.700 -8.061 1.00 0.00 C ATOM 0 HA PRO A 934 17.030 0.553 -6.740 1.00 0.00 H new ATOM 0 HB2 PRO A 934 18.254 2.404 -8.410 1.00 0.00 H new ATOM 0 HB3 PRO A 934 17.188 1.176 -9.064 1.00 0.00 H new ATOM 0 HG2 PRO A 934 16.589 4.059 -8.430 1.00 0.00 H new ATOM 0 HG3 PRO A 934 16.113 3.118 -9.830 1.00 0.00 H new ATOM 0 HD2 PRO A 934 14.393 3.581 -7.770 1.00 0.00 H new ATOM 0 HD3 PRO A 934 14.321 2.102 -8.707 1.00 0.00 H new ATOM 314 N PHE A 935 18.938 2.011 -5.804 1.00 0.00 N ATOM 315 CA PHE A 935 19.832 2.669 -4.857 1.00 0.00 C ATOM 316 C PHE A 935 20.025 4.138 -5.222 1.00 0.00 C ATOM 317 O PHE A 935 20.111 5.001 -4.348 1.00 0.00 O ATOM 318 CB PHE A 935 21.186 1.958 -4.824 1.00 0.00 C ATOM 319 CG PHE A 935 21.076 0.460 -4.809 1.00 0.00 C ATOM 320 CD1 PHE A 935 20.422 -0.190 -3.775 1.00 0.00 C ATOM 321 CD2 PHE A 935 21.627 -0.298 -5.830 1.00 0.00 C ATOM 322 CE1 PHE A 935 20.320 -1.569 -3.760 1.00 0.00 C ATOM 323 CE2 PHE A 935 21.528 -1.677 -5.820 1.00 0.00 C ATOM 324 CZ PHE A 935 20.873 -2.313 -4.784 1.00 0.00 C ATOM 0 H PHE A 935 19.373 1.264 -6.345 1.00 0.00 H new ATOM 0 HA PHE A 935 19.377 2.615 -3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 935 21.769 2.263 -5.693 1.00 0.00 H new ATOM 0 HB3 PHE A 935 21.737 2.283 -3.941 1.00 0.00 H new ATOM 0 HD1 PHE A 935 19.987 0.387 -2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 935 22.140 0.194 -6.643 1.00 0.00 H new ATOM 0 HE1 PHE A 935 19.808 -2.064 -2.948 1.00 0.00 H new ATOM 0 HE2 PHE A 935 21.962 -2.256 -6.621 1.00 0.00 H new ATOM 0 HZ PHE A 935 20.793 -3.390 -4.774 1.00 0.00 H new ATOM 334 N THR A 936 20.093 4.415 -6.521 1.00 0.00 N ATOM 335 CA THR A 936 20.278 5.778 -7.003 1.00 0.00 C ATOM 336 C THR A 936 19.251 6.722 -6.388 1.00 0.00 C ATOM 337 O THR A 936 19.543 7.890 -6.131 1.00 0.00 O ATOM 338 CB THR A 936 20.172 5.850 -8.538 1.00 0.00 C ATOM 339 OG1 THR A 936 18.848 5.498 -8.954 1.00 0.00 O ATOM 340 CG2 THR A 936 21.180 4.919 -9.194 1.00 0.00 C ATOM 0 H THR A 936 20.023 3.713 -7.258 1.00 0.00 H new ATOM 0 HA THR A 936 21.278 6.088 -6.701 1.00 0.00 H new ATOM 0 HB THR A 936 20.390 6.872 -8.848 1.00 0.00 H new ATOM 0 HG1 THR A 936 18.788 5.548 -9.931 1.00 0.00 H new ATOM 0 HG21 THR A 936 21.086 4.987 -10.278 1.00 0.00 H new ATOM 0 HG22 THR A 936 22.188 5.208 -8.898 1.00 0.00 H new ATOM 0 HG23 THR A 936 20.989 3.894 -8.877 1.00 0.00 H new ATOM 348 N VAL A 937 18.047 6.209 -6.155 1.00 0.00 N ATOM 349 CA VAL A 937 16.977 7.007 -5.568 1.00 0.00 C ATOM 350 C VAL A 937 17.464 7.756 -4.333 1.00 0.00 C ATOM 351 O VAL A 937 17.942 7.149 -3.374 1.00 0.00 O ATOM 352 CB VAL A 937 15.771 6.130 -5.182 1.00 0.00 C ATOM 353 CG1 VAL A 937 14.674 6.977 -4.555 1.00 0.00 C ATOM 354 CG2 VAL A 937 15.248 5.379 -6.397 1.00 0.00 C ATOM 0 H VAL A 937 17.788 5.245 -6.364 1.00 0.00 H new ATOM 0 HA VAL A 937 16.666 7.726 -6.325 1.00 0.00 H new ATOM 0 HB VAL A 937 16.098 5.397 -4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 937 13.830 6.340 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 937 15.058 7.464 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 937 14.347 7.734 -5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 937 14.396 4.764 -6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 937 14.937 6.093 -7.160 1.00 0.00 H new ATOM 0 HG23 VAL A 937 16.036 4.741 -6.797 1.00 0.00 H new ATOM 364 N SER A 938 17.338 9.079 -4.362 1.00 0.00 N ATOM 365 CA SER A 938 17.768 9.912 -3.246 1.00 0.00 C ATOM 366 C SER A 938 16.672 10.897 -2.849 1.00 0.00 C ATOM 367 O SER A 938 15.623 10.965 -3.490 1.00 0.00 O ATOM 368 CB SER A 938 19.044 10.673 -3.611 1.00 0.00 C ATOM 369 OG SER A 938 20.189 9.852 -3.456 1.00 0.00 O ATOM 0 H SER A 938 16.942 9.597 -5.146 1.00 0.00 H new ATOM 0 HA SER A 938 17.972 9.260 -2.397 1.00 0.00 H new ATOM 0 HB2 SER A 938 18.980 11.023 -4.641 1.00 0.00 H new ATOM 0 HB3 SER A 938 19.138 11.556 -2.979 1.00 0.00 H new ATOM 0 HG SER A 938 20.991 10.361 -3.697 1.00 0.00 H new ATOM 375 N ILE A 939 16.924 11.656 -1.788 1.00 0.00 N ATOM 376 CA ILE A 939 15.960 12.638 -1.306 1.00 0.00 C ATOM 377 C ILE A 939 15.596 13.635 -2.401 1.00 0.00 C ATOM 378 O ILE A 939 14.431 13.997 -2.563 1.00 0.00 O ATOM 379 CB ILE A 939 16.501 13.406 -0.086 1.00 0.00 C ATOM 380 CG1 ILE A 939 16.743 12.448 1.082 1.00 0.00 C ATOM 381 CG2 ILE A 939 15.533 14.508 0.318 1.00 0.00 C ATOM 382 CD1 ILE A 939 17.668 13.006 2.140 1.00 0.00 C ATOM 0 H ILE A 939 17.787 11.610 -1.246 1.00 0.00 H new ATOM 0 HA ILE A 939 15.068 12.086 -1.011 1.00 0.00 H new ATOM 0 HB ILE A 939 17.452 13.865 -0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 939 15.786 12.200 1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 939 17.163 11.518 0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 939 15.929 15.042 1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 939 15.407 15.203 -0.512 1.00 0.00 H new ATOM 0 HG23 ILE A 939 14.569 14.069 0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 939 17.794 12.273 2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 939 18.638 13.228 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 939 17.240 13.920 2.552 1.00 0.00 H new ATOM 394 N ASP A 940 16.601 14.075 -3.150 1.00 0.00 N ATOM 395 CA ASP A 940 16.387 15.028 -4.233 1.00 0.00 C ATOM 396 C ASP A 940 15.492 14.431 -5.314 1.00 0.00 C ATOM 397 O ASP A 940 14.560 15.080 -5.788 1.00 0.00 O ATOM 398 CB ASP A 940 17.726 15.453 -4.839 1.00 0.00 C ATOM 399 CG ASP A 940 18.614 16.167 -3.839 1.00 0.00 C ATOM 400 OD1 ASP A 940 18.070 16.821 -2.923 1.00 0.00 O ATOM 401 OD2 ASP A 940 19.852 16.072 -3.971 1.00 0.00 O ATOM 0 H ASP A 940 17.572 13.787 -3.027 1.00 0.00 H new ATOM 0 HA ASP A 940 15.890 15.905 -3.819 1.00 0.00 H new ATOM 0 HB2 ASP A 940 18.245 14.573 -5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 940 17.544 16.108 -5.691 1.00 0.00 H new ATOM 406 N GLU A 941 15.783 13.193 -5.699 1.00 0.00 N ATOM 407 CA GLU A 941 15.004 12.510 -6.726 1.00 0.00 C ATOM 408 C GLU A 941 13.551 12.348 -6.289 1.00 0.00 C ATOM 409 O GLU A 941 12.627 12.594 -7.065 1.00 0.00 O ATOM 410 CB GLU A 941 15.612 11.140 -7.032 1.00 0.00 C ATOM 411 CG GLU A 941 17.049 11.207 -7.522 1.00 0.00 C ATOM 412 CD GLU A 941 17.408 10.052 -8.436 1.00 0.00 C ATOM 413 OE1 GLU A 941 16.882 10.005 -9.567 1.00 0.00 O ATOM 414 OE2 GLU A 941 18.216 9.196 -8.019 1.00 0.00 O ATOM 0 H GLU A 941 16.552 12.642 -5.316 1.00 0.00 H new ATOM 0 HA GLU A 941 15.028 13.120 -7.629 1.00 0.00 H new ATOM 0 HB2 GLU A 941 15.572 10.525 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 941 15.003 10.642 -7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 941 17.205 12.147 -8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 941 17.722 11.209 -6.664 1.00 0.00 H new ATOM 421 N ILE A 942 13.357 11.931 -5.042 1.00 0.00 N ATOM 422 CA ILE A 942 12.018 11.736 -4.502 1.00 0.00 C ATOM 423 C ILE A 942 11.229 13.041 -4.505 1.00 0.00 C ATOM 424 O ILE A 942 10.093 13.092 -4.980 1.00 0.00 O ATOM 425 CB ILE A 942 12.065 11.182 -3.066 1.00 0.00 C ATOM 426 CG1 ILE A 942 12.709 9.793 -3.053 1.00 0.00 C ATOM 427 CG2 ILE A 942 10.665 11.128 -2.473 1.00 0.00 C ATOM 428 CD1 ILE A 942 13.349 9.437 -1.730 1.00 0.00 C ATOM 0 H ILE A 942 14.111 11.722 -4.387 1.00 0.00 H new ATOM 0 HA ILE A 942 11.521 11.011 -5.146 1.00 0.00 H new ATOM 0 HB ILE A 942 12.672 11.849 -2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 942 11.951 9.048 -3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 942 13.464 9.744 -3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 942 10.715 10.734 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 942 10.240 12.131 -2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 942 10.036 10.480 -3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 942 13.785 8.440 -1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 942 14.130 10.161 -1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 942 12.594 9.453 -0.944 1.00 0.00 H new ATOM 440 N LEU A 943 11.837 14.095 -3.974 1.00 0.00 N ATOM 441 CA LEU A 943 11.193 15.403 -3.917 1.00 0.00 C ATOM 442 C LEU A 943 10.808 15.882 -5.313 1.00 0.00 C ATOM 443 O LEU A 943 9.721 16.424 -5.516 1.00 0.00 O ATOM 444 CB LEU A 943 12.120 16.422 -3.253 1.00 0.00 C ATOM 445 CG LEU A 943 12.060 16.491 -1.727 1.00 0.00 C ATOM 446 CD1 LEU A 943 13.143 17.415 -1.191 1.00 0.00 C ATOM 447 CD2 LEU A 943 10.686 16.954 -1.267 1.00 0.00 C ATOM 0 H LEU A 943 12.776 14.070 -3.576 1.00 0.00 H new ATOM 0 HA LEU A 943 10.284 15.307 -3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 943 13.145 16.195 -3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 943 11.886 17.409 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 943 12.235 15.491 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 943 13.085 17.451 -0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 943 14.122 17.040 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 943 13.000 18.417 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 943 10.662 16.997 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 943 10.481 17.944 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 943 9.929 16.253 -1.619 1.00 0.00 H new ATOM 459 N ASP A 944 11.705 15.676 -6.271 1.00 0.00 N ATOM 460 CA ASP A 944 11.458 16.084 -7.649 1.00 0.00 C ATOM 461 C ASP A 944 10.417 15.181 -8.305 1.00 0.00 C ATOM 462 O ASP A 944 9.647 15.623 -9.158 1.00 0.00 O ATOM 463 CB ASP A 944 12.758 16.052 -8.454 1.00 0.00 C ATOM 464 CG ASP A 944 12.698 16.930 -9.688 1.00 0.00 C ATOM 465 OD1 ASP A 944 11.667 16.894 -10.391 1.00 0.00 O ATOM 466 OD2 ASP A 944 13.681 17.654 -9.950 1.00 0.00 O ATOM 0 H ASP A 944 12.609 15.229 -6.119 1.00 0.00 H new ATOM 0 HA ASP A 944 11.073 17.104 -7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 944 13.582 16.378 -7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 944 12.972 15.026 -8.752 1.00 0.00 H new ATOM 471 N PHE A 945 10.401 13.915 -7.902 1.00 0.00 N ATOM 472 CA PHE A 945 9.457 12.950 -8.451 1.00 0.00 C ATOM 473 C PHE A 945 8.027 13.300 -8.051 1.00 0.00 C ATOM 474 O PHE A 945 7.080 13.030 -8.790 1.00 0.00 O ATOM 475 CB PHE A 945 9.801 11.538 -7.972 1.00 0.00 C ATOM 476 CG PHE A 945 8.749 10.519 -8.304 1.00 0.00 C ATOM 477 CD1 PHE A 945 7.579 10.446 -7.566 1.00 0.00 C ATOM 478 CD2 PHE A 945 8.930 9.633 -9.355 1.00 0.00 C ATOM 479 CE1 PHE A 945 6.609 9.509 -7.869 1.00 0.00 C ATOM 480 CE2 PHE A 945 7.964 8.694 -9.663 1.00 0.00 C ATOM 481 CZ PHE A 945 6.802 8.633 -8.919 1.00 0.00 C ATOM 0 H PHE A 945 11.032 13.534 -7.197 1.00 0.00 H new ATOM 0 HA PHE A 945 9.531 12.986 -9.538 1.00 0.00 H new ATOM 0 HB2 PHE A 945 10.746 11.231 -8.420 1.00 0.00 H new ATOM 0 HB3 PHE A 945 9.950 11.556 -6.892 1.00 0.00 H new ATOM 0 HD1 PHE A 945 7.423 11.129 -6.744 1.00 0.00 H new ATOM 0 HD2 PHE A 945 9.837 9.677 -9.940 1.00 0.00 H new ATOM 0 HE1 PHE A 945 5.701 9.462 -7.285 1.00 0.00 H new ATOM 0 HE2 PHE A 945 8.117 8.009 -10.484 1.00 0.00 H new ATOM 0 HZ PHE A 945 6.045 7.901 -9.158 1.00 0.00 H new ATOM 491 N PHE A 946 7.878 13.902 -6.876 1.00 0.00 N ATOM 492 CA PHE A 946 6.564 14.288 -6.376 1.00 0.00 C ATOM 493 C PHE A 946 6.278 15.757 -6.675 1.00 0.00 C ATOM 494 O PHE A 946 5.328 16.336 -6.147 1.00 0.00 O ATOM 495 CB PHE A 946 6.473 14.036 -4.869 1.00 0.00 C ATOM 496 CG PHE A 946 6.202 12.601 -4.517 1.00 0.00 C ATOM 497 CD1 PHE A 946 4.906 12.111 -4.501 1.00 0.00 C ATOM 498 CD2 PHE A 946 7.243 11.742 -4.202 1.00 0.00 C ATOM 499 CE1 PHE A 946 4.653 10.791 -4.177 1.00 0.00 C ATOM 500 CE2 PHE A 946 6.996 10.421 -3.879 1.00 0.00 C ATOM 501 CZ PHE A 946 5.699 9.946 -3.865 1.00 0.00 C ATOM 0 H PHE A 946 8.651 14.133 -6.252 1.00 0.00 H new ATOM 0 HA PHE A 946 5.817 13.679 -6.885 1.00 0.00 H new ATOM 0 HB2 PHE A 946 7.406 14.347 -4.400 1.00 0.00 H new ATOM 0 HB3 PHE A 946 5.683 14.660 -4.451 1.00 0.00 H new ATOM 0 HD1 PHE A 946 4.084 12.768 -4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 946 8.259 12.109 -4.209 1.00 0.00 H new ATOM 0 HE1 PHE A 946 3.638 10.421 -4.168 1.00 0.00 H new ATOM 0 HE2 PHE A 946 7.816 9.761 -3.638 1.00 0.00 H new ATOM 0 HZ PHE A 946 5.504 8.915 -3.610 1.00 0.00 H new ATOM 511 N TYR A 947 7.106 16.353 -7.524 1.00 0.00 N ATOM 512 CA TYR A 947 6.946 17.755 -7.892 1.00 0.00 C ATOM 513 C TYR A 947 5.512 18.043 -8.328 1.00 0.00 C ATOM 514 O TYR A 947 4.809 17.158 -8.811 1.00 0.00 O ATOM 515 CB TYR A 947 7.916 18.124 -9.015 1.00 0.00 C ATOM 516 CG TYR A 947 8.142 19.613 -9.155 1.00 0.00 C ATOM 517 CD1 TYR A 947 8.868 20.317 -8.203 1.00 0.00 C ATOM 518 CD2 TYR A 947 7.630 20.314 -10.239 1.00 0.00 C ATOM 519 CE1 TYR A 947 9.077 21.677 -8.326 1.00 0.00 C ATOM 520 CE2 TYR A 947 7.835 21.674 -10.371 1.00 0.00 C ATOM 521 CZ TYR A 947 8.559 22.351 -9.412 1.00 0.00 C ATOM 522 OH TYR A 947 8.764 23.706 -9.540 1.00 0.00 O ATOM 0 H TYR A 947 7.896 15.887 -7.971 1.00 0.00 H new ATOM 0 HA TYR A 947 7.169 18.362 -7.015 1.00 0.00 H new ATOM 0 HB2 TYR A 947 8.873 17.635 -8.832 1.00 0.00 H new ATOM 0 HB3 TYR A 947 7.533 17.733 -9.958 1.00 0.00 H new ATOM 0 HD1 TYR A 947 9.276 19.792 -7.352 1.00 0.00 H new ATOM 0 HD2 TYR A 947 7.062 19.787 -10.992 1.00 0.00 H new ATOM 0 HE1 TYR A 947 9.643 22.209 -7.576 1.00 0.00 H new ATOM 0 HE2 TYR A 947 7.430 22.204 -11.221 1.00 0.00 H new ATOM 0 HH TYR A 947 8.334 24.026 -10.361 1.00 0.00 H new ATOM 532 N GLY A 948 5.086 19.291 -8.152 1.00 0.00 N ATOM 533 CA GLY A 948 3.740 19.675 -8.533 1.00 0.00 C ATOM 534 C GLY A 948 2.732 19.424 -7.429 1.00 0.00 C ATOM 535 O GLY A 948 1.805 20.211 -7.234 1.00 0.00 O ATOM 0 H GLY A 948 5.649 20.042 -7.753 1.00 0.00 H new ATOM 0 HA2 GLY A 948 3.728 20.732 -8.798 1.00 0.00 H new ATOM 0 HA3 GLY A 948 3.445 19.120 -9.423 1.00 0.00 H new ATOM 539 N TYR A 949 2.910 18.324 -6.706 1.00 0.00 N ATOM 540 CA TYR A 949 2.006 17.969 -5.618 1.00 0.00 C ATOM 541 C TYR A 949 2.561 18.434 -4.275 1.00 0.00 C ATOM 542 O TYR A 949 3.705 18.141 -3.929 1.00 0.00 O ATOM 543 CB TYR A 949 1.776 16.457 -5.591 1.00 0.00 C ATOM 544 CG TYR A 949 1.308 15.893 -6.914 1.00 0.00 C ATOM 545 CD1 TYR A 949 0.033 16.163 -7.394 1.00 0.00 C ATOM 546 CD2 TYR A 949 2.140 15.088 -7.681 1.00 0.00 C ATOM 547 CE1 TYR A 949 -0.400 15.649 -8.601 1.00 0.00 C ATOM 548 CE2 TYR A 949 1.717 14.570 -8.890 1.00 0.00 C ATOM 549 CZ TYR A 949 0.446 14.854 -9.346 1.00 0.00 C ATOM 550 OH TYR A 949 0.020 14.339 -10.549 1.00 0.00 O ATOM 0 H TYR A 949 3.672 17.662 -6.854 1.00 0.00 H new ATOM 0 HA TYR A 949 1.055 18.472 -5.791 1.00 0.00 H new ATOM 0 HB2 TYR A 949 2.703 15.962 -5.302 1.00 0.00 H new ATOM 0 HB3 TYR A 949 1.037 16.224 -4.824 1.00 0.00 H new ATOM 0 HD1 TYR A 949 -0.632 16.786 -6.814 1.00 0.00 H new ATOM 0 HD2 TYR A 949 3.135 14.863 -7.326 1.00 0.00 H new ATOM 0 HE1 TYR A 949 -1.395 15.868 -8.959 1.00 0.00 H new ATOM 0 HE2 TYR A 949 2.377 13.947 -9.475 1.00 0.00 H new ATOM 0 HH TYR A 949 0.788 14.230 -11.149 1.00 0.00 H new ATOM 560 N GLN A 950 1.740 19.161 -3.523 1.00 0.00 N ATOM 561 CA GLN A 950 2.148 19.667 -2.218 1.00 0.00 C ATOM 562 C GLN A 950 2.496 18.521 -1.274 1.00 0.00 C ATOM 563 O GLN A 950 1.615 17.923 -0.656 1.00 0.00 O ATOM 564 CB GLN A 950 1.037 20.525 -1.610 1.00 0.00 C ATOM 565 CG GLN A 950 -0.363 20.042 -1.956 1.00 0.00 C ATOM 566 CD GLN A 950 -1.374 20.361 -0.873 1.00 0.00 C ATOM 567 OE1 GLN A 950 -1.089 20.227 0.317 1.00 0.00 O ATOM 568 NE2 GLN A 950 -2.565 20.785 -1.281 1.00 0.00 N ATOM 0 H GLN A 950 0.790 19.412 -3.795 1.00 0.00 H new ATOM 0 HA GLN A 950 3.037 20.282 -2.357 1.00 0.00 H new ATOM 0 HB2 GLN A 950 1.151 20.537 -0.526 1.00 0.00 H new ATOM 0 HB3 GLN A 950 1.153 21.553 -1.954 1.00 0.00 H new ATOM 0 HG2 GLN A 950 -0.681 20.502 -2.892 1.00 0.00 H new ATOM 0 HG3 GLN A 950 -0.341 18.965 -2.122 1.00 0.00 H new ATOM 0 HE21 GLN A 950 -2.758 20.881 -2.278 1.00 0.00 H new ATOM 0 HE22 GLN A 950 -3.286 21.014 -0.597 1.00 0.00 H new ATOM 577 N VAL A 951 3.786 18.219 -1.167 1.00 0.00 N ATOM 578 CA VAL A 951 4.250 17.145 -0.298 1.00 0.00 C ATOM 579 C VAL A 951 4.661 17.683 1.068 1.00 0.00 C ATOM 580 O VAL A 951 5.532 18.548 1.170 1.00 0.00 O ATOM 581 CB VAL A 951 5.442 16.394 -0.921 1.00 0.00 C ATOM 582 CG1 VAL A 951 5.988 15.358 0.050 1.00 0.00 C ATOM 583 CG2 VAL A 951 5.032 15.742 -2.234 1.00 0.00 C ATOM 0 H VAL A 951 4.528 18.703 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 951 3.417 16.453 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 951 6.234 17.114 -1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 951 6.829 14.838 -0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 951 6.321 15.854 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 951 5.206 14.639 0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 951 5.886 15.216 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 951 4.223 15.034 -2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 951 4.693 16.509 -2.931 1.00 0.00 H new ATOM 593 N ILE A 952 4.030 17.164 2.116 1.00 0.00 N ATOM 594 CA ILE A 952 4.331 17.591 3.477 1.00 0.00 C ATOM 595 C ILE A 952 5.835 17.602 3.729 1.00 0.00 C ATOM 596 O ILE A 952 6.543 16.633 3.453 1.00 0.00 O ATOM 597 CB ILE A 952 3.654 16.679 4.516 1.00 0.00 C ATOM 598 CG1 ILE A 952 2.132 16.764 4.387 1.00 0.00 C ATOM 599 CG2 ILE A 952 4.094 17.060 5.922 1.00 0.00 C ATOM 600 CD1 ILE A 952 1.394 15.800 5.289 1.00 0.00 C ATOM 0 H ILE A 952 3.307 16.447 2.049 1.00 0.00 H new ATOM 0 HA ILE A 952 3.939 18.603 3.585 1.00 0.00 H new ATOM 0 HB ILE A 952 3.959 15.650 4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 952 1.812 17.781 4.616 1.00 0.00 H new ATOM 0 HG13 ILE A 952 1.852 16.568 3.352 1.00 0.00 H new ATOM 0 HG21 ILE A 952 3.607 16.406 6.645 1.00 0.00 H new ATOM 0 HG22 ILE A 952 5.175 16.953 6.006 1.00 0.00 H new ATOM 0 HG23 ILE A 952 3.815 18.095 6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 952 0.320 15.916 5.144 1.00 0.00 H new ATOM 0 HD12 ILE A 952 1.685 14.778 5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 952 1.645 16.010 6.329 1.00 0.00 H new ATOM 612 N PRO A 953 6.337 18.723 4.269 1.00 0.00 N ATOM 613 CA PRO A 953 7.762 18.886 4.573 1.00 0.00 C ATOM 614 C PRO A 953 8.210 18.008 5.737 1.00 0.00 C ATOM 615 O PRO A 953 7.659 18.085 6.834 1.00 0.00 O ATOM 616 CB PRO A 953 7.878 20.366 4.944 1.00 0.00 C ATOM 617 CG PRO A 953 6.519 20.744 5.425 1.00 0.00 C ATOM 618 CD PRO A 953 5.552 19.917 4.624 1.00 0.00 C ATOM 0 HA PRO A 953 8.394 18.592 3.735 1.00 0.00 H new ATOM 0 HB2 PRO A 953 8.629 20.522 5.718 1.00 0.00 H new ATOM 0 HB3 PRO A 953 8.175 20.967 4.085 1.00 0.00 H new ATOM 0 HG2 PRO A 953 6.413 20.545 6.491 1.00 0.00 H new ATOM 0 HG3 PRO A 953 6.336 21.809 5.280 1.00 0.00 H new ATOM 0 HD2 PRO A 953 4.667 19.658 5.205 1.00 0.00 H new ATOM 0 HD3 PRO A 953 5.206 20.449 3.738 1.00 0.00 H new ATOM 626 N GLY A 954 9.215 17.173 5.489 1.00 0.00 N ATOM 627 CA GLY A 954 9.720 16.293 6.527 1.00 0.00 C ATOM 628 C GLY A 954 9.048 14.934 6.512 1.00 0.00 C ATOM 629 O GLY A 954 9.395 14.054 7.300 1.00 0.00 O ATOM 0 H GLY A 954 9.688 17.090 4.589 1.00 0.00 H new ATOM 0 HA2 GLY A 954 10.795 16.165 6.399 1.00 0.00 H new ATOM 0 HA3 GLY A 954 9.568 16.759 7.500 1.00 0.00 H new ATOM 633 N SER A 955 8.083 14.762 5.616 1.00 0.00 N ATOM 634 CA SER A 955 7.356 13.503 5.506 1.00 0.00 C ATOM 635 C SER A 955 8.237 12.420 4.889 1.00 0.00 C ATOM 636 O SER A 955 8.394 11.336 5.452 1.00 0.00 O ATOM 637 CB SER A 955 6.093 13.690 4.663 1.00 0.00 C ATOM 638 OG SER A 955 6.414 14.118 3.351 1.00 0.00 O ATOM 0 H SER A 955 7.786 15.479 4.955 1.00 0.00 H new ATOM 0 HA SER A 955 7.070 13.188 6.510 1.00 0.00 H new ATOM 0 HB2 SER A 955 5.540 12.752 4.618 1.00 0.00 H new ATOM 0 HB3 SER A 955 5.440 14.422 5.138 1.00 0.00 H new ATOM 0 HG SER A 955 6.740 15.042 3.379 1.00 0.00 H new ATOM 644 N VAL A 956 8.809 12.721 3.728 1.00 0.00 N ATOM 645 CA VAL A 956 9.675 11.776 3.034 1.00 0.00 C ATOM 646 C VAL A 956 10.522 10.980 4.021 1.00 0.00 C ATOM 647 O VAL A 956 11.480 11.502 4.593 1.00 0.00 O ATOM 648 CB VAL A 956 10.604 12.493 2.037 1.00 0.00 C ATOM 649 CG1 VAL A 956 11.557 11.501 1.387 1.00 0.00 C ATOM 650 CG2 VAL A 956 9.790 13.231 0.986 1.00 0.00 C ATOM 0 H VAL A 956 8.688 13.613 3.248 1.00 0.00 H new ATOM 0 HA VAL A 956 9.025 11.094 2.486 1.00 0.00 H new ATOM 0 HB VAL A 956 11.198 13.226 2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 956 12.206 12.026 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 956 12.165 11.023 2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 956 10.984 10.742 0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 956 10.463 13.732 0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 956 9.168 12.520 0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 956 9.154 13.971 1.472 1.00 0.00 H new ATOM 660 N CYS A 957 10.164 9.716 4.215 1.00 0.00 N ATOM 661 CA CYS A 957 10.892 8.848 5.134 1.00 0.00 C ATOM 662 C CYS A 957 11.477 7.647 4.398 1.00 0.00 C ATOM 663 O CYS A 957 10.743 6.802 3.883 1.00 0.00 O ATOM 664 CB CYS A 957 9.970 8.373 6.258 1.00 0.00 C ATOM 665 SG CYS A 957 9.673 9.611 7.542 1.00 0.00 S ATOM 0 H CYS A 957 9.375 9.269 3.749 1.00 0.00 H new ATOM 0 HA CYS A 957 11.712 9.422 5.565 1.00 0.00 H new ATOM 0 HB2 CYS A 957 9.014 8.075 5.828 1.00 0.00 H new ATOM 0 HB3 CYS A 957 10.403 7.485 6.718 1.00 0.00 H new ATOM 0 HG CYS A 957 9.074 10.641 7.022 1.00 0.00 H new ATOM 671 N LEU A 958 12.803 7.578 4.350 1.00 0.00 N ATOM 672 CA LEU A 958 13.488 6.480 3.676 1.00 0.00 C ATOM 673 C LEU A 958 13.590 5.260 4.586 1.00 0.00 C ATOM 674 O LEU A 958 13.887 5.382 5.774 1.00 0.00 O ATOM 675 CB LEU A 958 14.885 6.920 3.235 1.00 0.00 C ATOM 676 CG LEU A 958 14.948 7.810 1.993 1.00 0.00 C ATOM 677 CD1 LEU A 958 16.307 8.484 1.888 1.00 0.00 C ATOM 678 CD2 LEU A 958 14.656 6.997 0.740 1.00 0.00 C ATOM 0 H LEU A 958 13.425 8.269 4.770 1.00 0.00 H new ATOM 0 HA LEU A 958 12.905 6.206 2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 958 15.355 7.452 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 958 15.483 6.028 3.049 1.00 0.00 H new ATOM 0 HG LEU A 958 14.187 8.585 2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 958 16.333 9.113 0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 958 16.478 9.098 2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 958 17.085 7.724 1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 958 14.705 7.646 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 958 15.394 6.201 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 958 13.660 6.561 0.813 1.00 0.00 H new ATOM 690 N LYS A 959 13.342 4.084 4.019 1.00 0.00 N ATOM 691 CA LYS A 959 13.409 2.840 4.777 1.00 0.00 C ATOM 692 C LYS A 959 14.773 2.177 4.615 1.00 0.00 C ATOM 693 O LYS A 959 15.337 2.154 3.520 1.00 0.00 O ATOM 694 CB LYS A 959 12.307 1.882 4.321 1.00 0.00 C ATOM 695 CG LYS A 959 11.018 2.015 5.114 1.00 0.00 C ATOM 696 CD LYS A 959 10.137 0.787 4.958 1.00 0.00 C ATOM 697 CE LYS A 959 10.438 -0.254 6.025 1.00 0.00 C ATOM 698 NZ LYS A 959 9.724 -1.535 5.767 1.00 0.00 N ATOM 0 H LYS A 959 13.093 3.966 3.037 1.00 0.00 H new ATOM 0 HA LYS A 959 13.263 3.077 5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 959 12.095 2.061 3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 959 12.671 0.858 4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 959 11.252 2.164 6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 959 10.474 2.899 4.780 1.00 0.00 H new ATOM 0 HD2 LYS A 959 9.089 1.080 5.019 1.00 0.00 H new ATOM 0 HD3 LYS A 959 10.289 0.352 3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 959 11.512 -0.438 6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 959 10.148 0.133 7.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 9.955 -2.218 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 8.698 -1.365 5.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 10.019 -1.918 4.846 1.00 0.00 H new ATOM 712 N TYR A 960 15.297 1.638 5.710 1.00 0.00 N ATOM 713 CA TYR A 960 16.596 0.974 5.689 1.00 0.00 C ATOM 714 C TYR A 960 16.530 -0.375 6.398 1.00 0.00 C ATOM 715 O TYR A 960 15.613 -0.635 7.176 1.00 0.00 O ATOM 716 CB TYR A 960 17.654 1.859 6.349 1.00 0.00 C ATOM 717 CG TYR A 960 17.730 3.252 5.764 1.00 0.00 C ATOM 718 CD1 TYR A 960 18.460 3.502 4.609 1.00 0.00 C ATOM 719 CD2 TYR A 960 17.073 4.317 6.368 1.00 0.00 C ATOM 720 CE1 TYR A 960 18.533 4.773 4.071 1.00 0.00 C ATOM 721 CE2 TYR A 960 17.139 5.590 5.836 1.00 0.00 C ATOM 722 CZ TYR A 960 17.870 5.813 4.688 1.00 0.00 C ATOM 723 OH TYR A 960 17.940 7.080 4.157 1.00 0.00 O ATOM 0 H TYR A 960 14.843 1.648 6.623 1.00 0.00 H new ATOM 0 HA TYR A 960 16.872 0.803 4.648 1.00 0.00 H new ATOM 0 HB2 TYR A 960 17.440 1.933 7.415 1.00 0.00 H new ATOM 0 HB3 TYR A 960 18.628 1.380 6.252 1.00 0.00 H new ATOM 0 HD1 TYR A 960 18.979 2.689 4.123 1.00 0.00 H new ATOM 0 HD2 TYR A 960 16.501 4.147 7.268 1.00 0.00 H new ATOM 0 HE1 TYR A 960 19.106 4.951 3.173 1.00 0.00 H new ATOM 0 HE2 TYR A 960 16.621 6.407 6.317 1.00 0.00 H new ATOM 0 HH TYR A 960 17.417 7.696 4.711 1.00 0.00 H new ATOM 733 N ASN A 961 17.511 -1.228 6.124 1.00 0.00 N ATOM 734 CA ASN A 961 17.565 -2.551 6.735 1.00 0.00 C ATOM 735 C ASN A 961 18.469 -2.546 7.964 1.00 0.00 C ATOM 736 O ASN A 961 18.976 -1.500 8.368 1.00 0.00 O ATOM 737 CB ASN A 961 18.069 -3.583 5.723 1.00 0.00 C ATOM 738 CG ASN A 961 19.144 -3.023 4.812 1.00 0.00 C ATOM 739 OD1 ASN A 961 18.847 -2.413 3.785 1.00 0.00 O ATOM 740 ND2 ASN A 961 20.402 -3.227 5.187 1.00 0.00 N ATOM 0 H ASN A 961 18.279 -1.027 5.483 1.00 0.00 H new ATOM 0 HA ASN A 961 16.556 -2.820 7.048 1.00 0.00 H new ATOM 0 HB2 ASN A 961 18.463 -4.448 6.256 1.00 0.00 H new ATOM 0 HB3 ASN A 961 17.232 -3.935 5.119 1.00 0.00 H new ATOM 0 HD21 ASN A 961 21.169 -2.872 4.615 1.00 0.00 H new ATOM 0 HD22 ASN A 961 20.601 -3.738 6.047 1.00 0.00 H new ATOM 747 N GLU A 962 18.665 -3.721 8.553 1.00 0.00 N ATOM 748 CA GLU A 962 19.507 -3.850 9.737 1.00 0.00 C ATOM 749 C GLU A 962 20.861 -3.182 9.517 1.00 0.00 C ATOM 750 O GLU A 962 21.303 -2.367 10.326 1.00 0.00 O ATOM 751 CB GLU A 962 19.705 -5.326 10.090 1.00 0.00 C ATOM 752 CG GLU A 962 20.455 -6.111 9.027 1.00 0.00 C ATOM 753 CD GLU A 962 20.248 -7.608 9.153 1.00 0.00 C ATOM 754 OE1 GLU A 962 21.036 -8.256 9.873 1.00 0.00 O ATOM 755 OE2 GLU A 962 19.300 -8.131 8.532 1.00 0.00 O ATOM 0 H GLU A 962 18.253 -4.597 8.230 1.00 0.00 H new ATOM 0 HA GLU A 962 19.005 -3.350 10.565 1.00 0.00 H new ATOM 0 HB2 GLU A 962 20.249 -5.396 11.032 1.00 0.00 H new ATOM 0 HB3 GLU A 962 18.730 -5.787 10.250 1.00 0.00 H new ATOM 0 HG2 GLU A 962 20.127 -5.784 8.040 1.00 0.00 H new ATOM 0 HG3 GLU A 962 21.519 -5.888 9.099 1.00 0.00 H new ATOM 762 N LYS A 963 21.516 -3.535 8.415 1.00 0.00 N ATOM 763 CA LYS A 963 22.819 -2.970 8.086 1.00 0.00 C ATOM 764 C LYS A 963 22.753 -1.448 8.022 1.00 0.00 C ATOM 765 O LYS A 963 23.628 -0.756 8.541 1.00 0.00 O ATOM 766 CB LYS A 963 23.316 -3.526 6.750 1.00 0.00 C ATOM 767 CG LYS A 963 23.660 -5.005 6.796 1.00 0.00 C ATOM 768 CD LYS A 963 24.969 -5.251 7.528 1.00 0.00 C ATOM 769 CE LYS A 963 25.067 -6.684 8.029 1.00 0.00 C ATOM 770 NZ LYS A 963 26.479 -7.090 8.271 1.00 0.00 N ATOM 0 H LYS A 963 21.165 -4.210 7.735 1.00 0.00 H new ATOM 0 HA LYS A 963 23.518 -3.252 8.873 1.00 0.00 H new ATOM 0 HB2 LYS A 963 22.551 -3.363 5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 963 24.198 -2.966 6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 963 22.857 -5.551 7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 963 23.731 -5.395 5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 963 25.805 -5.040 6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 963 25.051 -4.564 8.370 1.00 0.00 H new ATOM 0 HE2 LYS A 963 24.496 -6.786 8.952 1.00 0.00 H new ATOM 0 HE3 LYS A 963 24.616 -7.356 7.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 963 26.504 -8.072 8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 963 27.018 -7.017 7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 963 26.902 -6.465 8.986 1.00 0.00 H new ATOM 784 N GLY A 964 21.707 -0.932 7.382 1.00 0.00 N ATOM 785 CA GLY A 964 21.545 0.505 7.264 1.00 0.00 C ATOM 786 C GLY A 964 21.347 0.950 5.828 1.00 0.00 C ATOM 787 O GLY A 964 21.112 2.128 5.563 1.00 0.00 O ATOM 0 H GLY A 964 20.970 -1.484 6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 964 20.689 0.821 7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 964 22.423 1.002 7.677 1.00 0.00 H new ATOM 791 N MET A 965 21.443 0.004 4.899 1.00 0.00 N ATOM 792 CA MET A 965 21.272 0.306 3.482 1.00 0.00 C ATOM 793 C MET A 965 19.806 0.567 3.155 1.00 0.00 C ATOM 794 O MET A 965 18.898 0.078 3.827 1.00 0.00 O ATOM 795 CB MET A 965 21.800 -0.847 2.627 1.00 0.00 C ATOM 796 CG MET A 965 23.313 -0.847 2.474 1.00 0.00 C ATOM 797 SD MET A 965 23.863 -1.747 1.011 1.00 0.00 S ATOM 798 CE MET A 965 23.648 -3.440 1.555 1.00 0.00 C ATOM 0 H MET A 965 21.638 -0.977 5.101 1.00 0.00 H new ATOM 0 HA MET A 965 21.842 1.207 3.256 1.00 0.00 H new ATOM 0 HB2 MET A 965 21.488 -1.792 3.073 1.00 0.00 H new ATOM 0 HB3 MET A 965 21.343 -0.795 1.639 1.00 0.00 H new ATOM 0 HG2 MET A 965 23.669 0.182 2.418 1.00 0.00 H new ATOM 0 HG3 MET A 965 23.764 -1.292 3.361 1.00 0.00 H new ATOM 0 HE1 MET A 965 23.947 -4.119 0.757 1.00 0.00 H new ATOM 0 HE2 MET A 965 24.265 -3.620 2.435 1.00 0.00 H new ATOM 0 HE3 MET A 965 22.601 -3.612 1.804 1.00 0.00 H new ATOM 808 N PRO A 966 19.566 1.357 2.098 1.00 0.00 N ATOM 809 CA PRO A 966 18.211 1.701 1.657 1.00 0.00 C ATOM 810 C PRO A 966 17.476 0.508 1.056 1.00 0.00 C ATOM 811 O PRO A 966 17.992 -0.167 0.164 1.00 0.00 O ATOM 812 CB PRO A 966 18.446 2.776 0.594 1.00 0.00 C ATOM 813 CG PRO A 966 19.819 2.509 0.082 1.00 0.00 C ATOM 814 CD PRO A 966 20.600 1.975 1.251 1.00 0.00 C ATOM 0 HA PRO A 966 17.585 2.032 2.485 1.00 0.00 H new ATOM 0 HB2 PRO A 966 17.706 2.712 -0.204 1.00 0.00 H new ATOM 0 HB3 PRO A 966 18.370 3.777 1.019 1.00 0.00 H new ATOM 0 HG2 PRO A 966 19.797 1.788 -0.735 1.00 0.00 H new ATOM 0 HG3 PRO A 966 20.274 3.419 -0.308 1.00 0.00 H new ATOM 0 HD2 PRO A 966 21.349 1.248 0.936 1.00 0.00 H new ATOM 0 HD3 PRO A 966 21.129 2.769 1.778 1.00 0.00 H new ATOM 822 N THR A 967 16.269 0.252 1.549 1.00 0.00 N ATOM 823 CA THR A 967 15.464 -0.860 1.061 1.00 0.00 C ATOM 824 C THR A 967 14.573 -0.427 -0.099 1.00 0.00 C ATOM 825 O THR A 967 13.431 -0.869 -0.215 1.00 0.00 O ATOM 826 CB THR A 967 14.582 -1.449 2.178 1.00 0.00 C ATOM 827 OG1 THR A 967 13.662 -0.458 2.649 1.00 0.00 O ATOM 828 CG2 THR A 967 15.435 -1.947 3.335 1.00 0.00 C ATOM 0 H THR A 967 15.827 0.800 2.287 1.00 0.00 H new ATOM 0 HA THR A 967 16.159 -1.625 0.716 1.00 0.00 H new ATOM 0 HB THR A 967 14.028 -2.293 1.767 1.00 0.00 H new ATOM 0 HG1 THR A 967 12.746 -0.739 2.444 1.00 0.00 H new ATOM 0 HG21 THR A 967 14.790 -2.358 4.112 1.00 0.00 H new ATOM 0 HG22 THR A 967 16.114 -2.722 2.979 1.00 0.00 H new ATOM 0 HG23 THR A 967 16.012 -1.118 3.744 1.00 0.00 H new ATOM 836 N GLY A 968 15.105 0.440 -0.955 1.00 0.00 N ATOM 837 CA GLY A 968 14.344 0.917 -2.095 1.00 0.00 C ATOM 838 C GLY A 968 12.893 1.189 -1.751 1.00 0.00 C ATOM 839 O GLY A 968 11.995 0.877 -2.532 1.00 0.00 O ATOM 0 H GLY A 968 16.048 0.820 -0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 968 14.801 1.830 -2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 968 14.392 0.178 -2.895 1.00 0.00 H new ATOM 843 N GLU A 969 12.663 1.770 -0.577 1.00 0.00 N ATOM 844 CA GLU A 969 11.310 2.080 -0.131 1.00 0.00 C ATOM 845 C GLU A 969 11.269 3.426 0.586 1.00 0.00 C ATOM 846 O GLU A 969 12.228 3.816 1.253 1.00 0.00 O ATOM 847 CB GLU A 969 10.790 0.980 0.796 1.00 0.00 C ATOM 848 CG GLU A 969 10.365 -0.282 0.064 1.00 0.00 C ATOM 849 CD GLU A 969 10.495 -1.526 0.921 1.00 0.00 C ATOM 850 OE1 GLU A 969 11.639 -1.973 1.150 1.00 0.00 O ATOM 851 OE2 GLU A 969 9.453 -2.052 1.364 1.00 0.00 O ATOM 0 H GLU A 969 13.396 2.035 0.081 1.00 0.00 H new ATOM 0 HA GLU A 969 10.669 2.137 -1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 969 11.567 0.727 1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 969 9.942 1.365 1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 969 9.330 -0.177 -0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 969 10.972 -0.399 -0.834 1.00 0.00 H new ATOM 858 N ALA A 970 10.152 4.132 0.444 1.00 0.00 N ATOM 859 CA ALA A 970 9.985 5.434 1.080 1.00 0.00 C ATOM 860 C ALA A 970 8.518 5.709 1.389 1.00 0.00 C ATOM 861 O ALA A 970 7.626 5.225 0.693 1.00 0.00 O ATOM 862 CB ALA A 970 10.555 6.531 0.193 1.00 0.00 C ATOM 0 H ALA A 970 9.349 3.825 -0.105 1.00 0.00 H new ATOM 0 HA ALA A 970 10.532 5.424 2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 970 10.424 7.497 0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 970 11.617 6.350 0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 970 10.033 6.533 -0.764 1.00 0.00 H new ATOM 868 N MET A 971 8.275 6.488 2.438 1.00 0.00 N ATOM 869 CA MET A 971 6.915 6.828 2.838 1.00 0.00 C ATOM 870 C MET A 971 6.716 8.340 2.859 1.00 0.00 C ATOM 871 O MET A 971 7.622 9.091 3.222 1.00 0.00 O ATOM 872 CB MET A 971 6.605 6.242 4.217 1.00 0.00 C ATOM 873 CG MET A 971 6.172 4.786 4.175 1.00 0.00 C ATOM 874 SD MET A 971 6.421 3.941 5.748 1.00 0.00 S ATOM 875 CE MET A 971 4.826 3.156 5.968 1.00 0.00 C ATOM 0 H MET A 971 9.002 6.895 3.026 1.00 0.00 H new ATOM 0 HA MET A 971 6.230 6.400 2.106 1.00 0.00 H new ATOM 0 HB2 MET A 971 7.489 6.331 4.848 1.00 0.00 H new ATOM 0 HB3 MET A 971 5.818 6.833 4.685 1.00 0.00 H new ATOM 0 HG2 MET A 971 5.118 4.732 3.901 1.00 0.00 H new ATOM 0 HG3 MET A 971 6.731 4.267 3.396 1.00 0.00 H new ATOM 0 HE1 MET A 971 4.823 2.593 6.901 1.00 0.00 H new ATOM 0 HE2 MET A 971 4.047 3.918 6.001 1.00 0.00 H new ATOM 0 HE3 MET A 971 4.636 2.479 5.135 1.00 0.00 H new ATOM 885 N VAL A 972 5.524 8.782 2.468 1.00 0.00 N ATOM 886 CA VAL A 972 5.207 10.204 2.443 1.00 0.00 C ATOM 887 C VAL A 972 3.788 10.459 2.939 1.00 0.00 C ATOM 888 O VAL A 972 2.954 9.555 2.958 1.00 0.00 O ATOM 889 CB VAL A 972 5.355 10.788 1.025 1.00 0.00 C ATOM 890 CG1 VAL A 972 6.798 10.685 0.554 1.00 0.00 C ATOM 891 CG2 VAL A 972 4.418 10.081 0.057 1.00 0.00 C ATOM 0 H VAL A 972 4.763 8.175 2.164 1.00 0.00 H new ATOM 0 HA VAL A 972 5.916 10.698 3.107 1.00 0.00 H new ATOM 0 HB VAL A 972 5.081 11.843 1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 972 6.884 11.102 -0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 972 7.443 11.240 1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 972 7.102 9.638 0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 972 4.536 10.506 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 972 4.658 9.018 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 972 3.388 10.211 0.387 1.00 0.00 H new ATOM 901 N ALA A 973 3.521 11.698 3.340 1.00 0.00 N ATOM 902 CA ALA A 973 2.202 12.073 3.835 1.00 0.00 C ATOM 903 C ALA A 973 1.613 13.215 3.014 1.00 0.00 C ATOM 904 O ALA A 973 2.344 14.009 2.421 1.00 0.00 O ATOM 905 CB ALA A 973 2.280 12.462 5.304 1.00 0.00 C ATOM 0 H ALA A 973 4.200 12.459 3.332 1.00 0.00 H new ATOM 0 HA ALA A 973 1.544 11.210 3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 973 1.288 12.740 5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 973 2.651 11.617 5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 973 2.957 13.308 5.421 1.00 0.00 H new ATOM 911 N PHE A 974 0.286 13.292 2.983 1.00 0.00 N ATOM 912 CA PHE A 974 -0.401 14.337 2.232 1.00 0.00 C ATOM 913 C PHE A 974 -1.523 14.954 3.063 1.00 0.00 C ATOM 914 O PHE A 974 -2.225 14.255 3.793 1.00 0.00 O ATOM 915 CB PHE A 974 -0.970 13.769 0.930 1.00 0.00 C ATOM 916 CG PHE A 974 0.041 13.682 -0.178 1.00 0.00 C ATOM 917 CD1 PHE A 974 0.946 12.634 -0.228 1.00 0.00 C ATOM 918 CD2 PHE A 974 0.086 14.649 -1.169 1.00 0.00 C ATOM 919 CE1 PHE A 974 1.877 12.553 -1.245 1.00 0.00 C ATOM 920 CE2 PHE A 974 1.015 14.573 -2.190 1.00 0.00 C ATOM 921 CZ PHE A 974 1.911 13.523 -2.228 1.00 0.00 C ATOM 0 H PHE A 974 -0.334 12.644 3.469 1.00 0.00 H new ATOM 0 HA PHE A 974 0.324 15.116 1.995 1.00 0.00 H new ATOM 0 HB2 PHE A 974 -1.373 12.775 1.122 1.00 0.00 H new ATOM 0 HB3 PHE A 974 -1.802 14.393 0.604 1.00 0.00 H new ATOM 0 HD1 PHE A 974 0.923 11.872 0.537 1.00 0.00 H new ATOM 0 HD2 PHE A 974 -0.613 15.472 -1.144 1.00 0.00 H new ATOM 0 HE1 PHE A 974 2.578 11.732 -1.272 1.00 0.00 H new ATOM 0 HE2 PHE A 974 1.040 15.333 -2.956 1.00 0.00 H new ATOM 0 HZ PHE A 974 2.637 13.460 -3.025 1.00 0.00 H new ATOM 931 N GLU A 975 -1.682 16.269 2.946 1.00 0.00 N ATOM 932 CA GLU A 975 -2.717 16.981 3.687 1.00 0.00 C ATOM 933 C GLU A 975 -4.096 16.713 3.090 1.00 0.00 C ATOM 934 O GLU A 975 -5.084 16.592 3.813 1.00 0.00 O ATOM 935 CB GLU A 975 -2.432 18.484 3.687 1.00 0.00 C ATOM 936 CG GLU A 975 -1.051 18.842 4.210 1.00 0.00 C ATOM 937 CD GLU A 975 -1.038 19.077 5.708 1.00 0.00 C ATOM 938 OE1 GLU A 975 -1.591 20.104 6.153 1.00 0.00 O ATOM 939 OE2 GLU A 975 -0.474 18.233 6.435 1.00 0.00 O ATOM 0 H GLU A 975 -1.108 16.862 2.346 1.00 0.00 H new ATOM 0 HA GLU A 975 -2.708 16.617 4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 975 -2.536 18.865 2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 975 -3.183 18.988 4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 975 -0.355 18.040 3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 975 -0.695 19.738 3.702 1.00 0.00 H new ATOM 946 N SER A 976 -4.153 16.623 1.765 1.00 0.00 N ATOM 947 CA SER A 976 -5.410 16.374 1.070 1.00 0.00 C ATOM 948 C SER A 976 -5.448 14.957 0.504 1.00 0.00 C ATOM 949 O SER A 976 -4.547 14.545 -0.227 1.00 0.00 O ATOM 950 CB SER A 976 -5.604 17.390 -0.058 1.00 0.00 C ATOM 951 OG SER A 976 -5.990 18.654 0.455 1.00 0.00 O ATOM 0 H SER A 976 -3.344 16.719 1.152 1.00 0.00 H new ATOM 0 HA SER A 976 -6.221 16.481 1.790 1.00 0.00 H new ATOM 0 HB2 SER A 976 -4.678 17.491 -0.624 1.00 0.00 H new ATOM 0 HB3 SER A 976 -6.363 17.028 -0.751 1.00 0.00 H new ATOM 0 HG SER A 976 -5.951 19.323 -0.260 1.00 0.00 H new ATOM 957 N ARG A 977 -6.496 14.217 0.849 1.00 0.00 N ATOM 958 CA ARG A 977 -6.651 12.846 0.378 1.00 0.00 C ATOM 959 C ARG A 977 -6.735 12.801 -1.145 1.00 0.00 C ATOM 960 O ARG A 977 -6.086 11.976 -1.788 1.00 0.00 O ATOM 961 CB ARG A 977 -7.904 12.214 0.987 1.00 0.00 C ATOM 962 CG ARG A 977 -8.170 10.799 0.500 1.00 0.00 C ATOM 963 CD ARG A 977 -8.933 9.988 1.536 1.00 0.00 C ATOM 964 NE ARG A 977 -9.374 8.700 1.006 1.00 0.00 N ATOM 965 CZ ARG A 977 -10.351 8.567 0.116 1.00 0.00 C ATOM 966 NH1 ARG A 977 -10.985 9.637 -0.342 1.00 0.00 N ATOM 967 NH2 ARG A 977 -10.694 7.361 -0.318 1.00 0.00 N ATOM 0 H ARG A 977 -7.250 14.544 1.453 1.00 0.00 H new ATOM 0 HA ARG A 977 -5.776 12.278 0.694 1.00 0.00 H new ATOM 0 HB2 ARG A 977 -7.804 12.203 2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 977 -8.766 12.838 0.752 1.00 0.00 H new ATOM 0 HG2 ARG A 977 -8.740 10.834 -0.429 1.00 0.00 H new ATOM 0 HG3 ARG A 977 -7.224 10.306 0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 977 -8.299 9.824 2.407 1.00 0.00 H new ATOM 0 HD3 ARG A 977 -9.799 10.556 1.875 1.00 0.00 H new ATOM 0 HE ARG A 977 -8.906 7.857 1.338 1.00 0.00 H new ATOM 0 HH11 ARG A 977 -10.723 10.566 -0.011 1.00 0.00 H new ATOM 0 HH12 ARG A 977 -11.735 9.532 -1.025 1.00 0.00 H new ATOM 0 HH21 ARG A 977 -10.207 6.536 0.032 1.00 0.00 H new ATOM 0 HH22 ARG A 977 -11.444 7.259 -1.001 1.00 0.00 H new ATOM 981 N ASP A 978 -7.539 13.692 -1.715 1.00 0.00 N ATOM 982 CA ASP A 978 -7.708 13.754 -3.162 1.00 0.00 C ATOM 983 C ASP A 978 -6.367 13.969 -3.857 1.00 0.00 C ATOM 984 O ASP A 978 -6.105 13.394 -4.913 1.00 0.00 O ATOM 985 CB ASP A 978 -8.675 14.878 -3.536 1.00 0.00 C ATOM 986 CG ASP A 978 -9.384 14.618 -4.851 1.00 0.00 C ATOM 987 OD1 ASP A 978 -8.823 13.887 -5.693 1.00 0.00 O ATOM 988 OD2 ASP A 978 -10.501 15.144 -5.036 1.00 0.00 O ATOM 0 H ASP A 978 -8.084 14.381 -1.197 1.00 0.00 H new ATOM 0 HA ASP A 978 -8.122 12.802 -3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -9.415 14.995 -2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -8.127 15.818 -3.602 1.00 0.00 H new ATOM 993 N GLU A 979 -5.521 14.801 -3.256 1.00 0.00 N ATOM 994 CA GLU A 979 -4.208 15.093 -3.819 1.00 0.00 C ATOM 995 C GLU A 979 -3.323 13.849 -3.809 1.00 0.00 C ATOM 996 O GLU A 979 -2.640 13.553 -4.788 1.00 0.00 O ATOM 997 CB GLU A 979 -3.532 16.220 -3.036 1.00 0.00 C ATOM 998 CG GLU A 979 -3.841 17.606 -3.575 1.00 0.00 C ATOM 999 CD GLU A 979 -5.329 17.854 -3.728 1.00 0.00 C ATOM 1000 OE1 GLU A 979 -5.873 17.548 -4.810 1.00 0.00 O ATOM 1001 OE2 GLU A 979 -5.950 18.354 -2.767 1.00 0.00 O ATOM 0 H GLU A 979 -5.722 15.284 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 979 -4.346 15.411 -4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 979 -3.847 16.166 -1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 979 -2.453 16.066 -3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 979 -3.419 18.355 -2.905 1.00 0.00 H new ATOM 0 HG3 GLU A 979 -3.354 17.733 -4.542 1.00 0.00 H new ATOM 1008 N ALA A 980 -3.342 13.127 -2.693 1.00 0.00 N ATOM 1009 CA ALA A 980 -2.544 11.915 -2.555 1.00 0.00 C ATOM 1010 C ALA A 980 -2.863 10.917 -3.663 1.00 0.00 C ATOM 1011 O ALA A 980 -1.962 10.374 -4.303 1.00 0.00 O ATOM 1012 CB ALA A 980 -2.775 11.283 -1.190 1.00 0.00 C ATOM 0 H ALA A 980 -3.901 13.360 -1.872 1.00 0.00 H new ATOM 0 HA ALA A 980 -1.493 12.191 -2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 980 -2.173 10.379 -1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 980 -2.489 11.988 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 980 -3.829 11.029 -1.080 1.00 0.00 H new ATOM 1018 N THR A 981 -4.152 10.679 -3.885 1.00 0.00 N ATOM 1019 CA THR A 981 -4.590 9.745 -4.914 1.00 0.00 C ATOM 1020 C THR A 981 -4.196 10.233 -6.304 1.00 0.00 C ATOM 1021 O THR A 981 -3.726 9.456 -7.134 1.00 0.00 O ATOM 1022 CB THR A 981 -6.116 9.536 -4.870 1.00 0.00 C ATOM 1023 OG1 THR A 981 -6.541 9.311 -3.521 1.00 0.00 O ATOM 1024 CG2 THR A 981 -6.526 8.357 -5.739 1.00 0.00 C ATOM 0 H THR A 981 -4.911 11.121 -3.366 1.00 0.00 H new ATOM 0 HA THR A 981 -4.094 8.796 -4.711 1.00 0.00 H new ATOM 0 HB THR A 981 -6.595 10.436 -5.256 1.00 0.00 H new ATOM 0 HG1 THR A 981 -7.512 9.181 -3.501 1.00 0.00 H new ATOM 0 HG21 THR A 981 -7.607 8.229 -5.692 1.00 0.00 H new ATOM 0 HG22 THR A 981 -6.227 8.544 -6.770 1.00 0.00 H new ATOM 0 HG23 THR A 981 -6.038 7.452 -5.378 1.00 0.00 H new ATOM 1032 N ALA A 982 -4.390 11.525 -6.549 1.00 0.00 N ATOM 1033 CA ALA A 982 -4.051 12.117 -7.837 1.00 0.00 C ATOM 1034 C ALA A 982 -2.566 11.955 -8.143 1.00 0.00 C ATOM 1035 O ALA A 982 -2.189 11.567 -9.248 1.00 0.00 O ATOM 1036 CB ALA A 982 -4.439 13.588 -7.861 1.00 0.00 C ATOM 0 H ALA A 982 -4.780 12.181 -5.873 1.00 0.00 H new ATOM 0 HA ALA A 982 -4.613 11.591 -8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -4.180 14.017 -8.829 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -5.512 13.684 -7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -3.903 14.119 -7.074 1.00 0.00 H new ATOM 1042 N ALA A 983 -1.727 12.255 -7.156 1.00 0.00 N ATOM 1043 CA ALA A 983 -0.284 12.141 -7.320 1.00 0.00 C ATOM 1044 C ALA A 983 0.129 10.693 -7.561 1.00 0.00 C ATOM 1045 O ALA A 983 1.017 10.416 -8.367 1.00 0.00 O ATOM 1046 CB ALA A 983 0.431 12.699 -6.098 1.00 0.00 C ATOM 0 H ALA A 983 -2.023 12.579 -6.235 1.00 0.00 H new ATOM 0 HA ALA A 983 0.005 12.724 -8.195 1.00 0.00 H new ATOM 0 HB1 ALA A 983 1.509 12.608 -6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 983 0.169 13.749 -5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 983 0.128 12.140 -5.213 1.00 0.00 H new ATOM 1052 N VAL A 984 -0.521 9.772 -6.856 1.00 0.00 N ATOM 1053 CA VAL A 984 -0.221 8.352 -6.994 1.00 0.00 C ATOM 1054 C VAL A 984 -0.559 7.852 -8.394 1.00 0.00 C ATOM 1055 O VAL A 984 0.253 7.191 -9.041 1.00 0.00 O ATOM 1056 CB VAL A 984 -0.995 7.512 -5.960 1.00 0.00 C ATOM 1057 CG1 VAL A 984 -0.783 6.027 -6.212 1.00 0.00 C ATOM 1058 CG2 VAL A 984 -0.574 7.888 -4.547 1.00 0.00 C ATOM 0 H VAL A 984 -1.258 9.984 -6.184 1.00 0.00 H new ATOM 0 HA VAL A 984 0.849 8.236 -6.819 1.00 0.00 H new ATOM 0 HB VAL A 984 -2.059 7.725 -6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 984 -1.337 5.450 -5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 984 -1.138 5.773 -7.211 1.00 0.00 H new ATOM 0 HG13 VAL A 984 0.279 5.793 -6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 984 -1.130 7.285 -3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 984 0.493 7.705 -4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 984 -0.783 8.944 -4.374 1.00 0.00 H new ATOM 1068 N ILE A 985 -1.763 8.174 -8.856 1.00 0.00 N ATOM 1069 CA ILE A 985 -2.208 7.759 -10.180 1.00 0.00 C ATOM 1070 C ILE A 985 -1.299 8.321 -11.267 1.00 0.00 C ATOM 1071 O ILE A 985 -0.884 7.603 -12.177 1.00 0.00 O ATOM 1072 CB ILE A 985 -3.656 8.208 -10.454 1.00 0.00 C ATOM 1073 CG1 ILE A 985 -4.603 7.615 -9.410 1.00 0.00 C ATOM 1074 CG2 ILE A 985 -4.081 7.799 -11.857 1.00 0.00 C ATOM 1075 CD1 ILE A 985 -5.947 8.307 -9.350 1.00 0.00 C ATOM 0 H ILE A 985 -2.447 8.721 -8.333 1.00 0.00 H new ATOM 0 HA ILE A 985 -2.164 6.670 -10.200 1.00 0.00 H new ATOM 0 HB ILE A 985 -3.703 9.295 -10.384 1.00 0.00 H new ATOM 0 HG12 ILE A 985 -4.757 6.559 -9.630 1.00 0.00 H new ATOM 0 HG13 ILE A 985 -4.131 7.671 -8.429 1.00 0.00 H new ATOM 0 HG21 ILE A 985 -5.106 8.123 -12.036 1.00 0.00 H new ATOM 0 HG22 ILE A 985 -3.420 8.265 -12.588 1.00 0.00 H new ATOM 0 HG23 ILE A 985 -4.021 6.715 -11.954 1.00 0.00 H new ATOM 0 HD11 ILE A 985 -6.566 7.834 -8.588 1.00 0.00 H new ATOM 0 HD12 ILE A 985 -5.804 9.358 -9.100 1.00 0.00 H new ATOM 0 HD13 ILE A 985 -6.440 8.228 -10.319 1.00 0.00 H new ATOM 1087 N ASP A 986 -0.991 9.610 -11.165 1.00 0.00 N ATOM 1088 CA ASP A 986 -0.128 10.269 -12.138 1.00 0.00 C ATOM 1089 C ASP A 986 1.327 9.855 -11.942 1.00 0.00 C ATOM 1090 O ASP A 986 2.135 9.929 -12.868 1.00 0.00 O ATOM 1091 CB ASP A 986 -0.259 11.788 -12.021 1.00 0.00 C ATOM 1092 CG ASP A 986 -1.365 12.343 -12.897 1.00 0.00 C ATOM 1093 OD1 ASP A 986 -2.546 12.212 -12.515 1.00 0.00 O ATOM 1094 OD2 ASP A 986 -1.049 12.908 -13.965 1.00 0.00 O ATOM 0 H ASP A 986 -1.326 10.219 -10.418 1.00 0.00 H new ATOM 0 HA ASP A 986 -0.444 9.961 -13.135 1.00 0.00 H new ATOM 0 HB2 ASP A 986 -0.454 12.054 -10.982 1.00 0.00 H new ATOM 0 HB3 ASP A 986 0.687 12.254 -12.297 1.00 0.00 H new ATOM 1099 N LEU A 987 1.655 9.421 -10.730 1.00 0.00 N ATOM 1100 CA LEU A 987 3.014 8.996 -10.411 1.00 0.00 C ATOM 1101 C LEU A 987 3.053 7.510 -10.069 1.00 0.00 C ATOM 1102 O LEU A 987 3.935 7.053 -9.343 1.00 0.00 O ATOM 1103 CB LEU A 987 3.564 9.815 -9.242 1.00 0.00 C ATOM 1104 CG LEU A 987 3.439 11.333 -9.369 1.00 0.00 C ATOM 1105 CD1 LEU A 987 3.611 11.998 -8.012 1.00 0.00 C ATOM 1106 CD2 LEU A 987 4.459 11.871 -10.361 1.00 0.00 C ATOM 0 H LEU A 987 0.999 9.354 -9.952 1.00 0.00 H new ATOM 0 HA LEU A 987 3.637 9.164 -11.289 1.00 0.00 H new ATOM 0 HB2 LEU A 987 3.051 9.503 -8.333 1.00 0.00 H new ATOM 0 HB3 LEU A 987 4.618 9.567 -9.114 1.00 0.00 H new ATOM 0 HG LEU A 987 2.442 11.566 -9.741 1.00 0.00 H new ATOM 0 HD11 LEU A 987 3.519 13.079 -8.122 1.00 0.00 H new ATOM 0 HD12 LEU A 987 2.842 11.636 -7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 987 4.595 11.757 -7.611 1.00 0.00 H new ATOM 0 HD21 LEU A 987 4.355 12.953 -10.439 1.00 0.00 H new ATOM 0 HD22 LEU A 987 5.464 11.626 -10.018 1.00 0.00 H new ATOM 0 HD23 LEU A 987 4.289 11.419 -11.338 1.00 0.00 H new ATOM 1118 N ASN A 988 2.092 6.760 -10.599 1.00 0.00 N ATOM 1119 CA ASN A 988 2.018 5.324 -10.351 1.00 0.00 C ATOM 1120 C ASN A 988 2.778 4.548 -11.422 1.00 0.00 C ATOM 1121 O ASN A 988 2.565 4.748 -12.618 1.00 0.00 O ATOM 1122 CB ASN A 988 0.559 4.867 -10.312 1.00 0.00 C ATOM 1123 CG ASN A 988 0.397 3.416 -10.720 1.00 0.00 C ATOM 1124 OD1 ASN A 988 0.059 3.115 -11.865 1.00 0.00 O ATOM 1125 ND2 ASN A 988 0.637 2.507 -9.782 1.00 0.00 N ATOM 0 H ASN A 988 1.354 7.122 -11.203 1.00 0.00 H new ATOM 0 HA ASN A 988 2.480 5.122 -9.385 1.00 0.00 H new ATOM 0 HB2 ASN A 988 0.165 5.005 -9.305 1.00 0.00 H new ATOM 0 HB3 ASN A 988 -0.034 5.497 -10.975 1.00 0.00 H new ATOM 0 HD21 ASN A 988 0.543 1.514 -9.998 1.00 0.00 H new ATOM 0 HD22 ASN A 988 0.915 2.801 -8.846 1.00 0.00 H new ATOM 1132 N ASP A 989 3.664 3.660 -10.984 1.00 0.00 N ATOM 1133 CA ASP A 989 4.455 2.851 -11.905 1.00 0.00 C ATOM 1134 C ASP A 989 5.323 3.734 -12.796 1.00 0.00 C ATOM 1135 O ASP A 989 5.464 3.477 -13.992 1.00 0.00 O ATOM 1136 CB ASP A 989 3.540 1.979 -12.766 1.00 0.00 C ATOM 1137 CG ASP A 989 3.166 0.680 -12.080 1.00 0.00 C ATOM 1138 OD1 ASP A 989 3.946 -0.290 -12.180 1.00 0.00 O ATOM 1139 OD2 ASP A 989 2.092 0.632 -11.443 1.00 0.00 O ATOM 0 H ASP A 989 3.853 3.482 -9.998 1.00 0.00 H new ATOM 0 HA ASP A 989 5.108 2.207 -11.316 1.00 0.00 H new ATOM 0 HB2 ASP A 989 2.633 2.534 -13.005 1.00 0.00 H new ATOM 0 HB3 ASP A 989 4.037 1.758 -13.711 1.00 0.00 H new ATOM 1144 N ARG A 990 5.901 4.775 -12.206 1.00 0.00 N ATOM 1145 CA ARG A 990 6.753 5.698 -12.947 1.00 0.00 C ATOM 1146 C ARG A 990 8.190 5.189 -12.997 1.00 0.00 C ATOM 1147 O ARG A 990 8.762 4.770 -11.990 1.00 0.00 O ATOM 1148 CB ARG A 990 6.713 7.087 -12.309 1.00 0.00 C ATOM 1149 CG ARG A 990 5.616 7.981 -12.862 1.00 0.00 C ATOM 1150 CD ARG A 990 5.979 9.452 -12.735 1.00 0.00 C ATOM 1151 NE ARG A 990 6.765 9.922 -13.873 1.00 0.00 N ATOM 1152 CZ ARG A 990 6.250 10.157 -15.075 1.00 0.00 C ATOM 1153 NH1 ARG A 990 4.956 9.968 -15.294 1.00 0.00 N ATOM 1154 NH2 ARG A 990 7.030 10.584 -16.060 1.00 0.00 N ATOM 0 H ARG A 990 5.795 5.001 -11.217 1.00 0.00 H new ATOM 0 HA ARG A 990 6.374 5.764 -13.967 1.00 0.00 H new ATOM 0 HB2 ARG A 990 6.574 6.979 -11.233 1.00 0.00 H new ATOM 0 HB3 ARG A 990 7.677 7.574 -12.459 1.00 0.00 H new ATOM 0 HG2 ARG A 990 5.441 7.738 -13.910 1.00 0.00 H new ATOM 0 HG3 ARG A 990 4.685 7.788 -12.330 1.00 0.00 H new ATOM 0 HD2 ARG A 990 5.068 10.045 -12.654 1.00 0.00 H new ATOM 0 HD3 ARG A 990 6.543 9.608 -11.816 1.00 0.00 H new ATOM 0 HE ARG A 990 7.764 10.078 -13.737 1.00 0.00 H new ATOM 0 HH11 ARG A 990 4.353 9.641 -14.539 1.00 0.00 H new ATOM 0 HH12 ARG A 990 4.563 10.149 -16.218 1.00 0.00 H new ATOM 0 HH21 ARG A 990 8.026 10.732 -15.895 1.00 0.00 H new ATOM 0 HH22 ARG A 990 6.634 10.764 -16.983 1.00 0.00 H new ATOM 1168 N PRO A 991 8.790 5.225 -14.196 1.00 0.00 N ATOM 1169 CA PRO A 991 10.169 4.772 -14.405 1.00 0.00 C ATOM 1170 C PRO A 991 11.189 5.701 -13.757 1.00 0.00 C ATOM 1171 O PRO A 991 11.723 6.601 -14.407 1.00 0.00 O ATOM 1172 CB PRO A 991 10.320 4.790 -15.928 1.00 0.00 C ATOM 1173 CG PRO A 991 9.326 5.797 -16.396 1.00 0.00 C ATOM 1174 CD PRO A 991 8.170 5.712 -15.439 1.00 0.00 C ATOM 0 HA PRO A 991 10.350 3.795 -13.956 1.00 0.00 H new ATOM 0 HB2 PRO A 991 11.332 5.067 -16.222 1.00 0.00 H new ATOM 0 HB3 PRO A 991 10.121 3.808 -16.357 1.00 0.00 H new ATOM 0 HG2 PRO A 991 9.757 6.798 -16.400 1.00 0.00 H new ATOM 0 HG3 PRO A 991 9.005 5.584 -17.416 1.00 0.00 H new ATOM 0 HD2 PRO A 991 7.694 6.682 -15.297 1.00 0.00 H new ATOM 0 HD3 PRO A 991 7.400 5.029 -15.798 1.00 0.00 H new ATOM 1182 N ILE A 992 11.456 5.478 -12.475 1.00 0.00 N ATOM 1183 CA ILE A 992 12.414 6.295 -11.741 1.00 0.00 C ATOM 1184 C ILE A 992 13.838 5.792 -11.948 1.00 0.00 C ATOM 1185 O ILE A 992 14.134 4.620 -11.717 1.00 0.00 O ATOM 1186 CB ILE A 992 12.102 6.310 -10.233 1.00 0.00 C ATOM 1187 CG1 ILE A 992 10.905 7.219 -9.946 1.00 0.00 C ATOM 1188 CG2 ILE A 992 13.320 6.766 -9.444 1.00 0.00 C ATOM 1189 CD1 ILE A 992 10.674 7.468 -8.472 1.00 0.00 C ATOM 0 H ILE A 992 11.022 4.738 -11.923 1.00 0.00 H new ATOM 0 HA ILE A 992 12.329 7.309 -12.132 1.00 0.00 H new ATOM 0 HB ILE A 992 11.849 5.297 -9.920 1.00 0.00 H new ATOM 0 HG12 ILE A 992 11.056 8.175 -10.448 1.00 0.00 H new ATOM 0 HG13 ILE A 992 10.008 6.772 -10.375 1.00 0.00 H new ATOM 0 HG21 ILE A 992 13.083 6.771 -8.380 1.00 0.00 H new ATOM 0 HG22 ILE A 992 14.149 6.083 -9.628 1.00 0.00 H new ATOM 0 HG23 ILE A 992 13.601 7.771 -9.758 1.00 0.00 H new ATOM 0 HD11 ILE A 992 9.810 8.120 -8.344 1.00 0.00 H new ATOM 0 HD12 ILE A 992 10.491 6.520 -7.967 1.00 0.00 H new ATOM 0 HD13 ILE A 992 11.555 7.944 -8.041 1.00 0.00 H new ATOM 1201 N GLY A 993 14.719 6.688 -12.385 1.00 0.00 N ATOM 1202 CA GLY A 993 16.103 6.316 -12.615 1.00 0.00 C ATOM 1203 C GLY A 993 16.244 5.216 -13.648 1.00 0.00 C ATOM 1204 O GLY A 993 16.331 5.487 -14.846 1.00 0.00 O ATOM 0 H GLY A 993 14.499 7.664 -12.584 1.00 0.00 H new ATOM 0 HA2 GLY A 993 16.662 7.192 -12.944 1.00 0.00 H new ATOM 0 HA3 GLY A 993 16.549 5.988 -11.676 1.00 0.00 H new ATOM 1208 N SER A 994 16.268 3.971 -13.184 1.00 0.00 N ATOM 1209 CA SER A 994 16.405 2.825 -14.076 1.00 0.00 C ATOM 1210 C SER A 994 15.325 1.785 -13.794 1.00 0.00 C ATOM 1211 O SER A 994 15.204 0.791 -14.510 1.00 0.00 O ATOM 1212 CB SER A 994 17.790 2.194 -13.921 1.00 0.00 C ATOM 1213 OG SER A 994 18.764 2.916 -14.654 1.00 0.00 O ATOM 0 H SER A 994 16.194 3.730 -12.196 1.00 0.00 H new ATOM 0 HA SER A 994 16.287 3.177 -15.101 1.00 0.00 H new ATOM 0 HB2 SER A 994 18.067 2.171 -12.867 1.00 0.00 H new ATOM 0 HB3 SER A 994 17.763 1.160 -14.266 1.00 0.00 H new ATOM 0 HG SER A 994 19.641 2.494 -14.537 1.00 0.00 H new ATOM 1219 N ARG A 995 14.543 2.022 -12.746 1.00 0.00 N ATOM 1220 CA ARG A 995 13.474 1.105 -12.368 1.00 0.00 C ATOM 1221 C ARG A 995 12.179 1.864 -12.093 1.00 0.00 C ATOM 1222 O ARG A 995 12.200 3.053 -11.772 1.00 0.00 O ATOM 1223 CB ARG A 995 13.878 0.300 -11.131 1.00 0.00 C ATOM 1224 CG ARG A 995 15.276 -0.291 -11.219 1.00 0.00 C ATOM 1225 CD ARG A 995 15.567 -1.208 -10.042 1.00 0.00 C ATOM 1226 NE ARG A 995 16.523 -2.257 -10.389 1.00 0.00 N ATOM 1227 CZ ARG A 995 16.987 -3.146 -9.518 1.00 0.00 C ATOM 1228 NH1 ARG A 995 16.586 -3.113 -8.254 1.00 0.00 N ATOM 1229 NH2 ARG A 995 17.854 -4.071 -9.910 1.00 0.00 N ATOM 0 H ARG A 995 14.629 2.841 -12.144 1.00 0.00 H new ATOM 0 HA ARG A 995 13.305 0.421 -13.200 1.00 0.00 H new ATOM 0 HB2 ARG A 995 13.820 0.944 -10.254 1.00 0.00 H new ATOM 0 HB3 ARG A 995 13.160 -0.507 -10.983 1.00 0.00 H new ATOM 0 HG2 ARG A 995 15.379 -0.848 -12.150 1.00 0.00 H new ATOM 0 HG3 ARG A 995 16.011 0.513 -11.246 1.00 0.00 H new ATOM 0 HD2 ARG A 995 15.959 -0.620 -9.212 1.00 0.00 H new ATOM 0 HD3 ARG A 995 14.638 -1.663 -9.699 1.00 0.00 H new ATOM 0 HE ARG A 995 16.852 -2.310 -11.353 1.00 0.00 H new ATOM 0 HH11 ARG A 995 15.920 -2.404 -7.949 1.00 0.00 H new ATOM 0 HH12 ARG A 995 16.944 -3.797 -7.587 1.00 0.00 H new ATOM 0 HH21 ARG A 995 18.165 -4.100 -10.881 1.00 0.00 H new ATOM 0 HH22 ARG A 995 18.210 -4.753 -9.240 1.00 0.00 H new ATOM 1243 N LYS A 996 11.054 1.170 -12.221 1.00 0.00 N ATOM 1244 CA LYS A 996 9.749 1.777 -11.986 1.00 0.00 C ATOM 1245 C LYS A 996 9.375 1.709 -10.509 1.00 0.00 C ATOM 1246 O LYS A 996 9.676 0.729 -9.827 1.00 0.00 O ATOM 1247 CB LYS A 996 8.679 1.076 -12.826 1.00 0.00 C ATOM 1248 CG LYS A 996 8.815 1.327 -14.318 1.00 0.00 C ATOM 1249 CD LYS A 996 8.002 0.332 -15.128 1.00 0.00 C ATOM 1250 CE LYS A 996 8.758 -0.972 -15.331 1.00 0.00 C ATOM 1251 NZ LYS A 996 7.956 -1.965 -16.097 1.00 0.00 N ATOM 0 H LYS A 996 11.019 0.186 -12.486 1.00 0.00 H new ATOM 0 HA LYS A 996 9.806 2.825 -12.281 1.00 0.00 H new ATOM 0 HB2 LYS A 996 8.729 0.003 -12.641 1.00 0.00 H new ATOM 0 HB3 LYS A 996 7.695 1.411 -12.498 1.00 0.00 H new ATOM 0 HG2 LYS A 996 8.486 2.340 -14.549 1.00 0.00 H new ATOM 0 HG3 LYS A 996 9.864 1.260 -14.605 1.00 0.00 H new ATOM 0 HD2 LYS A 996 7.059 0.132 -14.619 1.00 0.00 H new ATOM 0 HD3 LYS A 996 7.756 0.766 -16.097 1.00 0.00 H new ATOM 0 HE2 LYS A 996 9.690 -0.773 -15.860 1.00 0.00 H new ATOM 0 HE3 LYS A 996 9.025 -1.392 -14.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 996 8.506 -2.840 -16.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 996 7.078 -2.175 -15.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 996 7.723 -1.575 -17.032 1.00 0.00 H new ATOM 1265 N VAL A 997 8.717 2.756 -10.021 1.00 0.00 N ATOM 1266 CA VAL A 997 8.300 2.814 -8.625 1.00 0.00 C ATOM 1267 C VAL A 997 6.821 2.478 -8.479 1.00 0.00 C ATOM 1268 O VAL A 997 6.026 2.715 -9.389 1.00 0.00 O ATOM 1269 CB VAL A 997 8.562 4.205 -8.018 1.00 0.00 C ATOM 1270 CG1 VAL A 997 10.030 4.361 -7.653 1.00 0.00 C ATOM 1271 CG2 VAL A 997 8.125 5.297 -8.984 1.00 0.00 C ATOM 0 H VAL A 997 8.461 3.575 -10.572 1.00 0.00 H new ATOM 0 HA VAL A 997 8.892 2.074 -8.087 1.00 0.00 H new ATOM 0 HB VAL A 997 7.974 4.301 -7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 997 10.196 5.350 -7.226 1.00 0.00 H new ATOM 0 HG12 VAL A 997 10.306 3.600 -6.924 1.00 0.00 H new ATOM 0 HG13 VAL A 997 10.642 4.245 -8.548 1.00 0.00 H new ATOM 0 HG21 VAL A 997 8.317 6.274 -8.540 1.00 0.00 H new ATOM 0 HG22 VAL A 997 8.685 5.205 -9.915 1.00 0.00 H new ATOM 0 HG23 VAL A 997 7.060 5.195 -9.190 1.00 0.00 H new ATOM 1281 N LYS A 998 6.456 1.924 -7.328 1.00 0.00 N ATOM 1282 CA LYS A 998 5.071 1.556 -7.060 1.00 0.00 C ATOM 1283 C LYS A 998 4.507 2.369 -5.898 1.00 0.00 C ATOM 1284 O LYS A 998 5.105 2.431 -4.823 1.00 0.00 O ATOM 1285 CB LYS A 998 4.970 0.061 -6.747 1.00 0.00 C ATOM 1286 CG LYS A 998 3.561 -0.492 -6.871 1.00 0.00 C ATOM 1287 CD LYS A 998 2.801 -0.383 -5.560 1.00 0.00 C ATOM 1288 CE LYS A 998 2.992 -1.623 -4.700 1.00 0.00 C ATOM 1289 NZ LYS A 998 2.191 -2.774 -5.201 1.00 0.00 N ATOM 0 H LYS A 998 7.101 1.720 -6.565 1.00 0.00 H new ATOM 0 HA LYS A 998 4.484 1.775 -7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 998 5.628 -0.488 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 998 5.333 -0.115 -5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 998 3.024 0.050 -7.650 1.00 0.00 H new ATOM 0 HG3 LYS A 998 3.605 -1.536 -7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 998 3.141 0.496 -5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 998 1.740 -0.240 -5.764 1.00 0.00 H new ATOM 0 HE2 LYS A 998 4.047 -1.895 -4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 998 2.704 -1.400 -3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 998 2.199 -3.536 -4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 998 1.211 -2.468 -5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 998 2.603 -3.123 -6.090 1.00 0.00 H new ATOM 1303 N LEU A 999 3.353 2.988 -6.121 1.00 0.00 N ATOM 1304 CA LEU A 999 2.707 3.795 -5.092 1.00 0.00 C ATOM 1305 C LEU A 999 1.426 3.129 -4.602 1.00 0.00 C ATOM 1306 O LEU A 999 0.650 2.593 -5.393 1.00 0.00 O ATOM 1307 CB LEU A 999 2.395 5.192 -5.633 1.00 0.00 C ATOM 1308 CG LEU A 999 3.600 6.097 -5.891 1.00 0.00 C ATOM 1309 CD1 LEU A 999 3.194 7.301 -6.727 1.00 0.00 C ATOM 1310 CD2 LEU A 999 4.221 6.544 -4.576 1.00 0.00 C ATOM 0 H LEU A 999 2.846 2.947 -7.005 1.00 0.00 H new ATOM 0 HA LEU A 999 3.393 3.883 -4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 999 1.842 5.083 -6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 999 1.734 5.694 -4.927 1.00 0.00 H new ATOM 0 HG LEU A 999 4.345 5.529 -6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 999 4.064 7.934 -6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 999 2.795 6.962 -7.683 1.00 0.00 H new ATOM 0 HD13 LEU A 999 2.431 7.871 -6.197 1.00 0.00 H new ATOM 0 HD21 LEU A 999 5.077 7.187 -4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 999 3.483 7.095 -3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 999 4.549 5.670 -4.013 1.00 0.00 H new ATOM 1322 N VAL A1000 1.209 3.169 -3.291 1.00 0.00 N ATOM 1323 CA VAL A1000 0.019 2.572 -2.694 1.00 0.00 C ATOM 1324 C VAL A1000 -0.624 3.518 -1.687 1.00 0.00 C ATOM 1325 O VAL A1000 0.065 4.153 -0.888 1.00 0.00 O ATOM 1326 CB VAL A1000 0.351 1.241 -1.993 1.00 0.00 C ATOM 1327 CG1 VAL A1000 -0.913 0.597 -1.444 1.00 0.00 C ATOM 1328 CG2 VAL A1000 1.066 0.299 -2.950 1.00 0.00 C ATOM 0 H VAL A1000 1.841 3.608 -2.622 1.00 0.00 H new ATOM 0 HA VAL A1000 -0.682 2.381 -3.507 1.00 0.00 H new ATOM 0 HB VAL A1000 1.018 1.448 -1.156 1.00 0.00 H new ATOM 0 HG11 VAL A1000 -0.659 -0.342 -0.952 1.00 0.00 H new ATOM 0 HG12 VAL A1000 -1.380 1.269 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A1000 -1.607 0.402 -2.262 1.00 0.00 H new ATOM 0 HG21 VAL A1000 1.293 -0.636 -2.438 1.00 0.00 H new ATOM 0 HG22 VAL A1000 0.425 0.097 -3.808 1.00 0.00 H new ATOM 0 HG23 VAL A1000 1.993 0.761 -3.290 1.00 0.00 H new ATOM 1338 N LEU A1001 -1.949 3.607 -1.730 1.00 0.00 N ATOM 1339 CA LEU A1001 -2.687 4.476 -0.820 1.00 0.00 C ATOM 1340 C LEU A1001 -2.719 3.889 0.587 1.00 0.00 C ATOM 1341 O LEU A1001 -2.943 2.692 0.767 1.00 0.00 O ATOM 1342 CB LEU A1001 -4.114 4.686 -1.330 1.00 0.00 C ATOM 1343 CG LEU A1001 -4.308 5.826 -2.330 1.00 0.00 C ATOM 1344 CD1 LEU A1001 -5.639 5.683 -3.051 1.00 0.00 C ATOM 1345 CD2 LEU A1001 -4.223 7.173 -1.627 1.00 0.00 C ATOM 0 H LEU A1001 -2.534 3.088 -2.385 1.00 0.00 H new ATOM 0 HA LEU A1001 -2.176 5.438 -0.781 1.00 0.00 H new ATOM 0 HB2 LEU A1001 -4.452 3.760 -1.795 1.00 0.00 H new ATOM 0 HB3 LEU A1001 -4.762 4.867 -0.472 1.00 0.00 H new ATOM 0 HG LEU A1001 -3.509 5.774 -3.070 1.00 0.00 H new ATOM 0 HD11 LEU A1001 -5.759 6.503 -3.759 1.00 0.00 H new ATOM 0 HD12 LEU A1001 -5.662 4.735 -3.588 1.00 0.00 H new ATOM 0 HD13 LEU A1001 -6.451 5.709 -2.324 1.00 0.00 H new ATOM 0 HD21 LEU A1001 -4.363 7.973 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU A1001 -5.000 7.235 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A1001 -3.245 7.277 -1.157 1.00 0.00 H new ATOM 1357 N GLY A1002 -2.496 4.740 1.584 1.00 0.00 N ATOM 1358 CA GLY A1002 -2.505 4.288 2.963 1.00 0.00 C ATOM 1359 C GLY A1002 -3.908 4.177 3.527 1.00 0.00 C ATOM 1360 O GLY A1002 -4.252 4.859 4.492 1.00 0.00 O ATOM 0 H GLY A1002 -2.309 5.735 1.461 1.00 0.00 H new ATOM 0 HA2 GLY A1002 -2.013 3.318 3.027 1.00 0.00 H new ATOM 0 HA3 GLY A1002 -1.925 4.981 3.573 1.00 0.00 H new