USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 613 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 926 THR OG1 : rot -80:sc= -0.127 USER MOD Single : A 929 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 931 GLN :FLIP amide:sc= -1.66! C(o=-2.5!,f=-1.7!) USER MOD Single : A 932 ASN :FLIP amide:sc= -1.04 F(o=-1.5!,f=-1) USER MOD Single : A 933 MET CE :methyl -171:sc= -1.47 (180deg=-1.63) USER MOD Single : A 936 THR OG1 : rot 180:sc= 0 USER MOD Single : A 938 SER OG : rot 6:sc= 0.111 USER MOD Single : A 947 TYR OH : rot 180:sc= 0 USER MOD Single : A 949 TYR OH : rot 102:sc= -1.65 USER MOD Single : A 950 GLN : amide:sc= -0.086 X(o=-0.086,f=0) USER MOD Single : A 955 SER OG : rot -100:sc= -0.522 USER MOD Single : A 957 CYS SG : rot 70:sc= 0.163 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= -4.16! C(o=-4.2!,f=-4.6!) USER MOD Single : A 963 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.241) USER MOD Single : A 965 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 967 THR OG1 : rot 160:sc= 0 USER MOD Single : A 971 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 976 SER OG : rot -170:sc= 1.19 USER MOD Single : A 981 THR OG1 : rot 180:sc= 0 USER MOD Single : A 988 ASN :FLIP amide:sc= -0.137 F(o=-1.1,f=-0.14) USER MOD Single : A 994 SER OG : rot -37:sc= 0.356 USER MOD Single : A 996 LYS NZ :NH3+ 156:sc= -0.122 (180deg=-0.497) USER MOD Single : A 998 LYS NZ :NH3+ 158:sc= -0.082 (180deg=-0.727) USER MOD ----------------------------------------------------------------- ATOM 148 N PRO A 925 -3.863 12.977 7.772 1.00 0.00 N ATOM 149 CA PRO A 925 -3.459 13.018 6.363 1.00 0.00 C ATOM 150 C PRO A 925 -3.307 11.624 5.763 1.00 0.00 C ATOM 151 O PRO A 925 -3.307 10.624 6.482 1.00 0.00 O ATOM 152 CB PRO A 925 -2.106 13.733 6.403 1.00 0.00 C ATOM 153 CG PRO A 925 -1.581 13.474 7.773 1.00 0.00 C ATOM 154 CD PRO A 925 -2.784 13.415 8.673 1.00 0.00 C ATOM 0 HA PRO A 925 -4.202 13.516 5.740 1.00 0.00 H new ATOM 0 HB2 PRO A 925 -1.431 13.345 5.640 1.00 0.00 H new ATOM 0 HB3 PRO A 925 -2.217 14.801 6.217 1.00 0.00 H new ATOM 0 HG2 PRO A 925 -1.022 12.539 7.806 1.00 0.00 H new ATOM 0 HG3 PRO A 925 -0.898 14.264 8.085 1.00 0.00 H new ATOM 0 HD2 PRO A 925 -2.637 12.714 9.495 1.00 0.00 H new ATOM 0 HD3 PRO A 925 -3.001 14.386 9.118 1.00 0.00 H new ATOM 162 N THR A 926 -3.178 11.564 4.442 1.00 0.00 N ATOM 163 CA THR A 926 -3.026 10.293 3.745 1.00 0.00 C ATOM 164 C THR A 926 -1.555 9.934 3.571 1.00 0.00 C ATOM 165 O THR A 926 -0.763 10.742 3.084 1.00 0.00 O ATOM 166 CB THR A 926 -3.702 10.327 2.361 1.00 0.00 C ATOM 167 OG1 THR A 926 -5.016 10.884 2.472 1.00 0.00 O ATOM 168 CG2 THR A 926 -3.786 8.929 1.766 1.00 0.00 C ATOM 0 H THR A 926 -3.176 12.382 3.832 1.00 0.00 H new ATOM 0 HA THR A 926 -3.512 9.535 4.360 1.00 0.00 H new ATOM 0 HB THR A 926 -3.099 10.950 1.701 1.00 0.00 H new ATOM 0 HG1 THR A 926 -5.635 10.199 2.799 1.00 0.00 H new ATOM 0 HG21 THR A 926 -4.267 8.978 0.789 1.00 0.00 H new ATOM 0 HG22 THR A 926 -2.782 8.519 1.656 1.00 0.00 H new ATOM 0 HG23 THR A 926 -4.370 8.287 2.426 1.00 0.00 H new ATOM 176 N ILE A 927 -1.196 8.719 3.970 1.00 0.00 N ATOM 177 CA ILE A 927 0.181 8.253 3.856 1.00 0.00 C ATOM 178 C ILE A 927 0.354 7.343 2.644 1.00 0.00 C ATOM 179 O ILE A 927 -0.391 6.379 2.468 1.00 0.00 O ATOM 180 CB ILE A 927 0.626 7.496 5.121 1.00 0.00 C ATOM 181 CG1 ILE A 927 0.514 8.401 6.349 1.00 0.00 C ATOM 182 CG2 ILE A 927 2.050 6.986 4.959 1.00 0.00 C ATOM 183 CD1 ILE A 927 1.743 9.250 6.588 1.00 0.00 C ATOM 0 H ILE A 927 -1.839 8.039 4.375 1.00 0.00 H new ATOM 0 HA ILE A 927 0.805 9.138 3.735 1.00 0.00 H new ATOM 0 HB ILE A 927 -0.032 6.639 5.264 1.00 0.00 H new ATOM 0 HG12 ILE A 927 -0.351 9.053 6.232 1.00 0.00 H new ATOM 0 HG13 ILE A 927 0.331 7.785 7.229 1.00 0.00 H new ATOM 0 HG21 ILE A 927 2.350 6.453 5.861 1.00 0.00 H new ATOM 0 HG22 ILE A 927 2.100 6.310 4.105 1.00 0.00 H new ATOM 0 HG23 ILE A 927 2.722 7.829 4.795 1.00 0.00 H new ATOM 0 HD11 ILE A 927 1.593 9.866 7.475 1.00 0.00 H new ATOM 0 HD12 ILE A 927 2.608 8.604 6.737 1.00 0.00 H new ATOM 0 HD13 ILE A 927 1.915 9.893 5.724 1.00 0.00 H new ATOM 195 N ILE A 928 1.343 7.655 1.814 1.00 0.00 N ATOM 196 CA ILE A 928 1.617 6.864 0.621 1.00 0.00 C ATOM 197 C ILE A 928 2.862 6.003 0.806 1.00 0.00 C ATOM 198 O ILE A 928 3.820 6.409 1.464 1.00 0.00 O ATOM 199 CB ILE A 928 1.805 7.759 -0.618 1.00 0.00 C ATOM 200 CG1 ILE A 928 0.517 8.529 -0.918 1.00 0.00 C ATOM 201 CG2 ILE A 928 2.220 6.922 -1.818 1.00 0.00 C ATOM 202 CD1 ILE A 928 0.695 9.628 -1.942 1.00 0.00 C ATOM 0 H ILE A 928 1.968 8.450 1.946 1.00 0.00 H new ATOM 0 HA ILE A 928 0.752 6.219 0.465 1.00 0.00 H new ATOM 0 HB ILE A 928 2.597 8.479 -0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 928 -0.240 7.830 -1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 928 0.139 8.963 0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 928 2.349 7.569 -2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 928 3.160 6.415 -1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 928 1.449 6.181 -2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 928 -0.258 10.131 -2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 928 1.428 10.348 -1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 928 1.043 9.198 -2.881 1.00 0.00 H new ATOM 214 N LYS A 929 2.842 4.811 0.219 1.00 0.00 N ATOM 215 CA LYS A 929 3.970 3.891 0.315 1.00 0.00 C ATOM 216 C LYS A 929 4.666 3.740 -1.034 1.00 0.00 C ATOM 217 O LYS A 929 4.026 3.446 -2.044 1.00 0.00 O ATOM 218 CB LYS A 929 3.499 2.524 0.814 1.00 0.00 C ATOM 219 CG LYS A 929 4.490 1.404 0.548 1.00 0.00 C ATOM 220 CD LYS A 929 4.301 0.249 1.516 1.00 0.00 C ATOM 221 CE LYS A 929 3.312 -0.774 0.978 1.00 0.00 C ATOM 222 NZ LYS A 929 2.934 -1.777 2.010 1.00 0.00 N ATOM 0 H LYS A 929 2.057 4.459 -0.329 1.00 0.00 H new ATOM 0 HA LYS A 929 4.684 4.304 1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 929 3.310 2.583 1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 929 2.550 2.279 0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 929 4.370 1.046 -0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 929 5.506 1.789 0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 929 5.261 -0.233 1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 929 3.947 0.630 2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 929 2.417 -0.262 0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 929 3.748 -1.284 0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 2.259 -2.456 1.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 3.784 -2.283 2.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 2.494 -1.294 2.819 1.00 0.00 H new ATOM 236 N VAL A 930 5.979 3.942 -1.044 1.00 0.00 N ATOM 237 CA VAL A 930 6.762 3.826 -2.268 1.00 0.00 C ATOM 238 C VAL A 930 7.621 2.566 -2.254 1.00 0.00 C ATOM 239 O VAL A 930 8.368 2.324 -1.306 1.00 0.00 O ATOM 240 CB VAL A 930 7.671 5.052 -2.472 1.00 0.00 C ATOM 241 CG1 VAL A 930 8.232 5.072 -3.886 1.00 0.00 C ATOM 242 CG2 VAL A 930 6.909 6.335 -2.174 1.00 0.00 C ATOM 0 H VAL A 930 6.524 4.187 -0.217 1.00 0.00 H new ATOM 0 HA VAL A 930 6.052 3.769 -3.093 1.00 0.00 H new ATOM 0 HB VAL A 930 8.507 4.982 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 930 8.872 5.946 -4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 930 8.815 4.167 -4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 930 7.412 5.117 -4.602 1.00 0.00 H new ATOM 0 HG21 VAL A 930 7.566 7.192 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 930 6.053 6.414 -2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 930 6.561 6.320 -1.141 1.00 0.00 H new ATOM 252 N GLN A 931 7.510 1.769 -3.311 1.00 0.00 N ATOM 253 CA GLN A 931 8.278 0.533 -3.419 1.00 0.00 C ATOM 254 C GLN A 931 8.936 0.420 -4.790 1.00 0.00 C ATOM 255 O GLN A 931 8.636 1.192 -5.699 1.00 0.00 O ATOM 256 CB GLN A 931 7.375 -0.676 -3.172 1.00 0.00 C ATOM 257 CG GLN A 931 8.026 -1.759 -2.326 1.00 0.00 C ATOM 258 CD GLN A 931 8.830 -2.741 -3.154 1.00 0.00 C ATOM 259 OE1 GLN A 931 10.123 -2.837 -2.868 1.00 0.00 O flip ATOM 260 NE2 GLN A 931 8.296 -3.407 -4.041 1.00 0.00 N flip ATOM 0 H GLN A 931 6.897 1.956 -4.104 1.00 0.00 H new ATOM 0 HA GLN A 931 9.061 0.553 -2.661 1.00 0.00 H new ATOM 0 HB2 GLN A 931 6.461 -0.342 -2.680 1.00 0.00 H new ATOM 0 HB3 GLN A 931 7.083 -1.103 -4.131 1.00 0.00 H new ATOM 0 HG2 GLN A 931 8.678 -1.294 -1.586 1.00 0.00 H new ATOM 0 HG3 GLN A 931 7.254 -2.299 -1.777 1.00 0.00 H new ATOM 0 HE21 GLN A 931 7.299 -3.302 -4.227 1.00 0.00 H new ATOM 0 HE22 GLN A 931 8.851 -4.064 -4.589 1.00 0.00 H new ATOM 269 N ASN A 932 9.835 -0.549 -4.931 1.00 0.00 N ATOM 270 CA ASN A 932 10.536 -0.763 -6.192 1.00 0.00 C ATOM 271 C ASN A 932 11.393 0.447 -6.550 1.00 0.00 C ATOM 272 O ASN A 932 11.265 1.011 -7.637 1.00 0.00 O ATOM 273 CB ASN A 932 9.536 -1.045 -7.315 1.00 0.00 C ATOM 274 CG ASN A 932 10.150 -1.840 -8.450 1.00 0.00 C ATOM 275 OD1 ASN A 932 11.285 -1.371 -8.955 1.00 0.00 O flip ATOM 276 ND2 ASN A 932 9.611 -2.865 -8.868 1.00 0.00 N flip ATOM 0 H ASN A 932 10.095 -1.198 -4.188 1.00 0.00 H new ATOM 0 HA ASN A 932 11.190 -1.627 -6.073 1.00 0.00 H new ATOM 0 HB2 ASN A 932 8.685 -1.593 -6.911 1.00 0.00 H new ATOM 0 HB3 ASN A 932 9.153 -0.101 -7.702 1.00 0.00 H new ATOM 0 HD21 ASN A 932 8.739 -3.189 -8.450 1.00 0.00 H new ATOM 0 HD22 ASN A 932 10.037 -3.390 -9.632 1.00 0.00 H new ATOM 283 N MET A 933 12.266 0.841 -5.629 1.00 0.00 N ATOM 284 CA MET A 933 13.145 1.984 -5.848 1.00 0.00 C ATOM 285 C MET A 933 14.609 1.561 -5.797 1.00 0.00 C ATOM 286 O MET A 933 15.075 0.967 -4.824 1.00 0.00 O ATOM 287 CB MET A 933 12.878 3.068 -4.802 1.00 0.00 C ATOM 288 CG MET A 933 11.794 4.053 -5.211 1.00 0.00 C ATOM 289 SD MET A 933 11.729 5.500 -4.137 1.00 0.00 S ATOM 290 CE MET A 933 12.140 4.766 -2.555 1.00 0.00 C ATOM 0 H MET A 933 12.384 0.386 -4.724 1.00 0.00 H new ATOM 0 HA MET A 933 12.936 2.387 -6.839 1.00 0.00 H new ATOM 0 HB2 MET A 933 12.591 2.593 -3.864 1.00 0.00 H new ATOM 0 HB3 MET A 933 13.802 3.615 -4.613 1.00 0.00 H new ATOM 0 HG2 MET A 933 11.970 4.375 -6.237 1.00 0.00 H new ATOM 0 HG3 MET A 933 10.827 3.550 -5.196 1.00 0.00 H new ATOM 0 HE1 MET A 933 11.985 5.499 -1.763 1.00 0.00 H new ATOM 0 HE2 MET A 933 11.501 3.901 -2.379 1.00 0.00 H new ATOM 0 HE3 MET A 933 13.184 4.452 -2.560 1.00 0.00 H new ATOM 300 N PRO A 934 15.354 1.873 -6.868 1.00 0.00 N ATOM 301 CA PRO A 934 16.777 1.534 -6.968 1.00 0.00 C ATOM 302 C PRO A 934 17.636 2.352 -6.010 1.00 0.00 C ATOM 303 O PRO A 934 17.171 3.328 -5.421 1.00 0.00 O ATOM 304 CB PRO A 934 17.122 1.875 -8.420 1.00 0.00 C ATOM 305 CG PRO A 934 16.126 2.913 -8.811 1.00 0.00 C ATOM 306 CD PRO A 934 14.865 2.580 -8.063 1.00 0.00 C ATOM 0 HA PRO A 934 16.968 0.494 -6.703 1.00 0.00 H new ATOM 0 HB2 PRO A 934 18.141 2.251 -8.507 1.00 0.00 H new ATOM 0 HB3 PRO A 934 17.051 0.996 -9.061 1.00 0.00 H new ATOM 0 HG2 PRO A 934 16.481 3.911 -8.553 1.00 0.00 H new ATOM 0 HG3 PRO A 934 15.955 2.904 -9.887 1.00 0.00 H new ATOM 0 HD2 PRO A 934 14.306 3.477 -7.798 1.00 0.00 H new ATOM 0 HD3 PRO A 934 14.199 1.953 -8.656 1.00 0.00 H new ATOM 314 N PHE A 935 18.894 1.948 -5.859 1.00 0.00 N ATOM 315 CA PHE A 935 19.818 2.644 -4.971 1.00 0.00 C ATOM 316 C PHE A 935 20.112 4.050 -5.486 1.00 0.00 C ATOM 317 O PHE A 935 20.429 4.954 -4.712 1.00 0.00 O ATOM 318 CB PHE A 935 21.122 1.855 -4.839 1.00 0.00 C ATOM 319 CG PHE A 935 20.924 0.366 -4.831 1.00 0.00 C ATOM 320 CD1 PHE A 935 20.177 -0.241 -3.834 1.00 0.00 C ATOM 321 CD2 PHE A 935 21.484 -0.426 -5.820 1.00 0.00 C ATOM 322 CE1 PHE A 935 19.994 -1.611 -3.824 1.00 0.00 C ATOM 323 CE2 PHE A 935 21.303 -1.796 -5.816 1.00 0.00 C ATOM 324 CZ PHE A 935 20.556 -2.390 -4.817 1.00 0.00 C ATOM 0 H PHE A 935 19.296 1.143 -6.340 1.00 0.00 H new ATOM 0 HA PHE A 935 19.349 2.726 -3.990 1.00 0.00 H new ATOM 0 HB2 PHE A 935 21.783 2.121 -5.664 1.00 0.00 H new ATOM 0 HB3 PHE A 935 21.625 2.151 -3.919 1.00 0.00 H new ATOM 0 HD1 PHE A 935 19.733 0.363 -3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 935 22.069 0.033 -6.603 1.00 0.00 H new ATOM 0 HE1 PHE A 935 19.412 -2.072 -3.040 1.00 0.00 H new ATOM 0 HE2 PHE A 935 21.745 -2.402 -6.593 1.00 0.00 H new ATOM 0 HZ PHE A 935 20.412 -3.460 -4.812 1.00 0.00 H new ATOM 334 N THR A 936 20.004 4.228 -6.799 1.00 0.00 N ATOM 335 CA THR A 936 20.259 5.522 -7.418 1.00 0.00 C ATOM 336 C THR A 936 19.321 6.590 -6.868 1.00 0.00 C ATOM 337 O THR A 936 19.659 7.773 -6.839 1.00 0.00 O ATOM 338 CB THR A 936 20.099 5.454 -8.949 1.00 0.00 C ATOM 339 OG1 THR A 936 18.789 4.982 -9.284 1.00 0.00 O ATOM 340 CG2 THR A 936 21.147 4.537 -9.562 1.00 0.00 C ATOM 0 H THR A 936 19.741 3.492 -7.454 1.00 0.00 H new ATOM 0 HA THR A 936 21.288 5.789 -7.179 1.00 0.00 H new ATOM 0 HB THR A 936 20.237 6.457 -9.352 1.00 0.00 H new ATOM 0 HG1 THR A 936 18.695 4.943 -10.259 1.00 0.00 H new ATOM 0 HG21 THR A 936 21.014 4.505 -10.643 1.00 0.00 H new ATOM 0 HG22 THR A 936 22.142 4.916 -9.330 1.00 0.00 H new ATOM 0 HG23 THR A 936 21.036 3.533 -9.153 1.00 0.00 H new ATOM 348 N VAL A 937 18.140 6.165 -6.430 1.00 0.00 N ATOM 349 CA VAL A 937 17.153 7.084 -5.878 1.00 0.00 C ATOM 350 C VAL A 937 17.721 7.853 -4.691 1.00 0.00 C ATOM 351 O VAL A 937 18.507 7.317 -3.910 1.00 0.00 O ATOM 352 CB VAL A 937 15.880 6.341 -5.433 1.00 0.00 C ATOM 353 CG1 VAL A 937 14.847 7.321 -4.898 1.00 0.00 C ATOM 354 CG2 VAL A 937 15.308 5.527 -6.584 1.00 0.00 C ATOM 0 H VAL A 937 17.844 5.189 -6.447 1.00 0.00 H new ATOM 0 HA VAL A 937 16.896 7.785 -6.672 1.00 0.00 H new ATOM 0 HB VAL A 937 16.145 5.655 -4.629 1.00 0.00 H new ATOM 0 HG11 VAL A 937 13.955 6.776 -4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 937 15.261 7.855 -4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 937 14.584 8.035 -5.679 1.00 0.00 H new ATOM 0 HG21 VAL A 937 14.409 5.009 -6.251 1.00 0.00 H new ATOM 0 HG22 VAL A 937 15.059 6.192 -7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 937 16.046 4.797 -6.915 1.00 0.00 H new ATOM 364 N SER A 938 17.317 9.113 -4.560 1.00 0.00 N ATOM 365 CA SER A 938 17.789 9.957 -3.469 1.00 0.00 C ATOM 366 C SER A 938 16.703 10.935 -3.030 1.00 0.00 C ATOM 367 O SER A 938 15.660 11.050 -3.674 1.00 0.00 O ATOM 368 CB SER A 938 19.041 10.726 -3.896 1.00 0.00 C ATOM 369 OG SER A 938 20.169 9.871 -3.955 1.00 0.00 O ATOM 0 H SER A 938 16.664 9.571 -5.196 1.00 0.00 H new ATOM 0 HA SER A 938 18.037 9.313 -2.625 1.00 0.00 H new ATOM 0 HB2 SER A 938 18.876 11.183 -4.872 1.00 0.00 H new ATOM 0 HB3 SER A 938 19.231 11.536 -3.192 1.00 0.00 H new ATOM 0 HG SER A 938 19.886 8.945 -3.806 1.00 0.00 H new ATOM 375 N ILE A 939 16.957 11.637 -1.931 1.00 0.00 N ATOM 376 CA ILE A 939 16.002 12.605 -1.406 1.00 0.00 C ATOM 377 C ILE A 939 15.660 13.661 -2.451 1.00 0.00 C ATOM 378 O ILE A 939 14.500 14.045 -2.604 1.00 0.00 O ATOM 379 CB ILE A 939 16.544 13.303 -0.145 1.00 0.00 C ATOM 380 CG1 ILE A 939 16.713 12.293 0.991 1.00 0.00 C ATOM 381 CG2 ILE A 939 15.615 14.432 0.277 1.00 0.00 C ATOM 382 CD1 ILE A 939 17.643 12.765 2.087 1.00 0.00 C ATOM 0 H ILE A 939 17.816 11.554 -1.387 1.00 0.00 H new ATOM 0 HA ILE A 939 15.101 12.050 -1.145 1.00 0.00 H new ATOM 0 HB ILE A 939 17.520 13.729 -0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 939 15.736 12.078 1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 939 17.093 11.358 0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 939 16.012 14.915 1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 939 15.541 15.162 -0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 939 14.626 14.028 0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 939 17.715 11.998 2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 939 18.632 12.953 1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 939 17.253 13.684 2.524 1.00 0.00 H new ATOM 394 N ASP A 940 16.677 14.127 -3.169 1.00 0.00 N ATOM 395 CA ASP A 940 16.484 15.137 -4.202 1.00 0.00 C ATOM 396 C ASP A 940 15.590 14.608 -5.320 1.00 0.00 C ATOM 397 O ASP A 940 14.670 15.291 -5.768 1.00 0.00 O ATOM 398 CB ASP A 940 17.832 15.575 -4.775 1.00 0.00 C ATOM 399 CG ASP A 940 18.450 16.718 -3.993 1.00 0.00 C ATOM 400 OD1 ASP A 940 19.126 16.445 -2.979 1.00 0.00 O ATOM 401 OD2 ASP A 940 18.256 17.885 -4.393 1.00 0.00 O ATOM 0 H ASP A 940 17.643 13.821 -3.054 1.00 0.00 H new ATOM 0 HA ASP A 940 15.994 15.998 -3.746 1.00 0.00 H new ATOM 0 HB2 ASP A 940 18.516 14.727 -4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 940 17.701 15.878 -5.814 1.00 0.00 H new ATOM 406 N GLU A 941 15.869 13.387 -5.765 1.00 0.00 N ATOM 407 CA GLU A 941 15.091 12.767 -6.832 1.00 0.00 C ATOM 408 C GLU A 941 13.643 12.558 -6.398 1.00 0.00 C ATOM 409 O GLU A 941 12.713 12.805 -7.165 1.00 0.00 O ATOM 410 CB GLU A 941 15.713 11.429 -7.236 1.00 0.00 C ATOM 411 CG GLU A 941 17.134 11.551 -7.761 1.00 0.00 C ATOM 412 CD GLU A 941 17.182 11.824 -9.252 1.00 0.00 C ATOM 413 OE1 GLU A 941 17.139 10.852 -10.034 1.00 0.00 O ATOM 414 OE2 GLU A 941 17.265 13.010 -9.636 1.00 0.00 O ATOM 0 H GLU A 941 16.627 12.808 -5.404 1.00 0.00 H new ATOM 0 HA GLU A 941 15.101 13.438 -7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 941 15.709 10.761 -6.374 1.00 0.00 H new ATOM 0 HB3 GLU A 941 15.091 10.965 -8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 941 17.646 12.355 -7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 941 17.677 10.631 -7.546 1.00 0.00 H new ATOM 421 N ILE A 942 13.462 12.100 -5.164 1.00 0.00 N ATOM 422 CA ILE A 942 12.129 11.857 -4.628 1.00 0.00 C ATOM 423 C ILE A 942 11.307 13.142 -4.595 1.00 0.00 C ATOM 424 O ILE A 942 10.167 13.175 -5.060 1.00 0.00 O ATOM 425 CB ILE A 942 12.192 11.265 -3.207 1.00 0.00 C ATOM 426 CG1 ILE A 942 12.835 9.877 -3.238 1.00 0.00 C ATOM 427 CG2 ILE A 942 10.799 11.196 -2.600 1.00 0.00 C ATOM 428 CD1 ILE A 942 13.456 9.469 -1.920 1.00 0.00 C ATOM 0 H ILE A 942 14.222 11.890 -4.517 1.00 0.00 H new ATOM 0 HA ILE A 942 11.649 11.138 -5.291 1.00 0.00 H new ATOM 0 HB ILE A 942 12.806 11.916 -2.585 1.00 0.00 H new ATOM 0 HG12 ILE A 942 12.080 9.142 -3.518 1.00 0.00 H new ATOM 0 HG13 ILE A 942 13.601 9.858 -4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 942 10.860 10.776 -1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 942 10.375 12.199 -2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 942 10.163 10.564 -3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 942 13.893 8.475 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 942 14.234 10.182 -1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 942 12.689 9.455 -1.145 1.00 0.00 H new ATOM 440 N LEU A 943 11.894 14.199 -4.044 1.00 0.00 N ATOM 441 CA LEU A 943 11.218 15.488 -3.952 1.00 0.00 C ATOM 442 C LEU A 943 10.828 15.998 -5.336 1.00 0.00 C ATOM 443 O LEU A 943 9.731 16.522 -5.528 1.00 0.00 O ATOM 444 CB LEU A 943 12.118 16.509 -3.255 1.00 0.00 C ATOM 445 CG LEU A 943 12.012 16.567 -1.731 1.00 0.00 C ATOM 446 CD1 LEU A 943 12.960 17.615 -1.169 1.00 0.00 C ATOM 447 CD2 LEU A 943 10.580 16.858 -1.306 1.00 0.00 C ATOM 0 H LEU A 943 12.837 14.189 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 943 10.309 15.353 -3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 943 13.153 16.291 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 943 11.888 17.497 -3.653 1.00 0.00 H new ATOM 0 HG LEU A 943 12.298 15.595 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 943 12.870 17.642 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 943 13.985 17.363 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 943 12.705 18.593 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 943 10.524 16.896 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 943 10.266 17.817 -1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 943 9.923 16.071 -1.676 1.00 0.00 H new ATOM 459 N ASP A 944 11.732 15.839 -6.296 1.00 0.00 N ATOM 460 CA ASP A 944 11.480 16.280 -7.663 1.00 0.00 C ATOM 461 C ASP A 944 10.447 15.386 -8.342 1.00 0.00 C ATOM 462 O ASP A 944 9.677 15.841 -9.188 1.00 0.00 O ATOM 463 CB ASP A 944 12.781 16.280 -8.469 1.00 0.00 C ATOM 464 CG ASP A 944 12.759 17.287 -9.602 1.00 0.00 C ATOM 465 OD1 ASP A 944 11.785 17.279 -10.384 1.00 0.00 O ATOM 466 OD2 ASP A 944 13.717 18.081 -9.709 1.00 0.00 O ATOM 0 H ASP A 944 12.645 15.408 -6.153 1.00 0.00 H new ATOM 0 HA ASP A 944 11.085 17.295 -7.624 1.00 0.00 H new ATOM 0 HB2 ASP A 944 13.616 16.502 -7.805 1.00 0.00 H new ATOM 0 HB3 ASP A 944 12.953 15.283 -8.876 1.00 0.00 H new ATOM 471 N PHE A 945 10.438 14.111 -7.966 1.00 0.00 N ATOM 472 CA PHE A 945 9.501 13.152 -8.540 1.00 0.00 C ATOM 473 C PHE A 945 8.062 13.517 -8.184 1.00 0.00 C ATOM 474 O PHE A 945 7.160 13.413 -9.014 1.00 0.00 O ATOM 475 CB PHE A 945 9.817 11.739 -8.045 1.00 0.00 C ATOM 476 CG PHE A 945 8.786 10.721 -8.440 1.00 0.00 C ATOM 477 CD1 PHE A 945 8.649 10.331 -9.762 1.00 0.00 C ATOM 478 CD2 PHE A 945 7.954 10.154 -7.488 1.00 0.00 C ATOM 479 CE1 PHE A 945 7.701 9.394 -10.128 1.00 0.00 C ATOM 480 CE2 PHE A 945 7.005 9.216 -7.848 1.00 0.00 C ATOM 481 CZ PHE A 945 6.877 8.837 -9.170 1.00 0.00 C ATOM 0 H PHE A 945 11.068 13.718 -7.267 1.00 0.00 H new ATOM 0 HA PHE A 945 9.608 13.183 -9.624 1.00 0.00 H new ATOM 0 HB2 PHE A 945 10.787 11.433 -8.438 1.00 0.00 H new ATOM 0 HB3 PHE A 945 9.904 11.754 -6.959 1.00 0.00 H new ATOM 0 HD1 PHE A 945 9.290 10.764 -10.515 1.00 0.00 H new ATOM 0 HD2 PHE A 945 8.048 10.448 -6.453 1.00 0.00 H new ATOM 0 HE1 PHE A 945 7.605 9.098 -11.162 1.00 0.00 H new ATOM 0 HE2 PHE A 945 6.364 8.780 -7.096 1.00 0.00 H new ATOM 0 HZ PHE A 945 6.134 8.106 -9.454 1.00 0.00 H new ATOM 491 N PHE A 946 7.857 13.945 -6.943 1.00 0.00 N ATOM 492 CA PHE A 946 6.529 14.325 -6.475 1.00 0.00 C ATOM 493 C PHE A 946 6.243 15.792 -6.780 1.00 0.00 C ATOM 494 O PHE A 946 5.296 16.374 -6.252 1.00 0.00 O ATOM 495 CB PHE A 946 6.403 14.071 -4.971 1.00 0.00 C ATOM 496 CG PHE A 946 6.095 12.641 -4.628 1.00 0.00 C ATOM 497 CD1 PHE A 946 4.825 12.124 -4.829 1.00 0.00 C ATOM 498 CD2 PHE A 946 7.076 11.814 -4.105 1.00 0.00 C ATOM 499 CE1 PHE A 946 4.539 10.809 -4.515 1.00 0.00 C ATOM 500 CE2 PHE A 946 6.796 10.498 -3.789 1.00 0.00 C ATOM 501 CZ PHE A 946 5.525 9.995 -3.994 1.00 0.00 C ATOM 0 H PHE A 946 8.593 14.037 -6.243 1.00 0.00 H new ATOM 0 HA PHE A 946 5.797 13.714 -7.003 1.00 0.00 H new ATOM 0 HB2 PHE A 946 7.333 14.361 -4.482 1.00 0.00 H new ATOM 0 HB3 PHE A 946 5.618 14.710 -4.567 1.00 0.00 H new ATOM 0 HD1 PHE A 946 4.050 12.756 -5.236 1.00 0.00 H new ATOM 0 HD2 PHE A 946 8.071 12.202 -3.942 1.00 0.00 H new ATOM 0 HE1 PHE A 946 3.545 10.418 -4.677 1.00 0.00 H new ATOM 0 HE2 PHE A 946 7.569 9.863 -3.382 1.00 0.00 H new ATOM 0 HZ PHE A 946 5.304 8.967 -3.747 1.00 0.00 H new ATOM 511 N TYR A 947 7.070 16.384 -7.635 1.00 0.00 N ATOM 512 CA TYR A 947 6.909 17.784 -8.008 1.00 0.00 C ATOM 513 C TYR A 947 5.485 18.063 -8.478 1.00 0.00 C ATOM 514 O TYR A 947 4.839 17.207 -9.081 1.00 0.00 O ATOM 515 CB TYR A 947 7.903 18.157 -9.110 1.00 0.00 C ATOM 516 CG TYR A 947 7.937 19.637 -9.419 1.00 0.00 C ATOM 517 CD1 TYR A 947 8.630 20.522 -8.601 1.00 0.00 C ATOM 518 CD2 TYR A 947 7.276 20.151 -10.527 1.00 0.00 C ATOM 519 CE1 TYR A 947 8.663 21.875 -8.879 1.00 0.00 C ATOM 520 CE2 TYR A 947 7.305 21.502 -10.814 1.00 0.00 C ATOM 521 CZ TYR A 947 8.000 22.359 -9.987 1.00 0.00 C ATOM 522 OH TYR A 947 8.030 23.706 -10.268 1.00 0.00 O ATOM 0 H TYR A 947 7.858 15.916 -8.082 1.00 0.00 H new ATOM 0 HA TYR A 947 7.107 18.393 -7.126 1.00 0.00 H new ATOM 0 HB2 TYR A 947 8.901 17.833 -8.813 1.00 0.00 H new ATOM 0 HB3 TYR A 947 7.648 17.611 -10.018 1.00 0.00 H new ATOM 0 HD1 TYR A 947 9.151 20.146 -7.733 1.00 0.00 H new ATOM 0 HD2 TYR A 947 6.730 19.483 -11.176 1.00 0.00 H new ATOM 0 HE1 TYR A 947 9.205 22.549 -8.232 1.00 0.00 H new ATOM 0 HE2 TYR A 947 6.787 21.885 -11.681 1.00 0.00 H new ATOM 0 HH TYR A 947 7.515 23.882 -11.083 1.00 0.00 H new ATOM 532 N GLY A 948 5.001 19.269 -8.196 1.00 0.00 N ATOM 533 CA GLY A 948 3.656 19.641 -8.596 1.00 0.00 C ATOM 534 C GLY A 948 2.644 19.439 -7.486 1.00 0.00 C ATOM 535 O GLY A 948 1.693 20.211 -7.356 1.00 0.00 O ATOM 0 H GLY A 948 5.516 19.995 -7.698 1.00 0.00 H new ATOM 0 HA2 GLY A 948 3.648 20.686 -8.905 1.00 0.00 H new ATOM 0 HA3 GLY A 948 3.362 19.050 -9.464 1.00 0.00 H new ATOM 539 N TYR A 949 2.846 18.398 -6.686 1.00 0.00 N ATOM 540 CA TYR A 949 1.941 18.095 -5.584 1.00 0.00 C ATOM 541 C TYR A 949 2.506 18.600 -4.260 1.00 0.00 C ATOM 542 O TYR A 949 3.704 18.486 -4.000 1.00 0.00 O ATOM 543 CB TYR A 949 1.690 16.588 -5.502 1.00 0.00 C ATOM 544 CG TYR A 949 1.124 15.999 -6.774 1.00 0.00 C ATOM 545 CD1 TYR A 949 -0.210 16.187 -7.116 1.00 0.00 C ATOM 546 CD2 TYR A 949 1.922 15.254 -7.634 1.00 0.00 C ATOM 547 CE1 TYR A 949 -0.732 15.650 -8.277 1.00 0.00 C ATOM 548 CE2 TYR A 949 1.408 14.715 -8.797 1.00 0.00 C ATOM 549 CZ TYR A 949 0.081 14.915 -9.115 1.00 0.00 C ATOM 550 OH TYR A 949 -0.434 14.379 -10.272 1.00 0.00 O ATOM 0 H TYR A 949 3.628 17.750 -6.780 1.00 0.00 H new ATOM 0 HA TYR A 949 0.996 18.605 -5.773 1.00 0.00 H new ATOM 0 HB2 TYR A 949 2.627 16.084 -5.264 1.00 0.00 H new ATOM 0 HB3 TYR A 949 1.002 16.387 -4.681 1.00 0.00 H new ATOM 0 HD1 TYR A 949 -0.849 16.763 -6.463 1.00 0.00 H new ATOM 0 HD2 TYR A 949 2.962 15.094 -7.389 1.00 0.00 H new ATOM 0 HE1 TYR A 949 -1.771 15.805 -8.527 1.00 0.00 H new ATOM 0 HE2 TYR A 949 2.042 14.139 -9.455 1.00 0.00 H new ATOM 0 HH TYR A 949 -0.168 14.932 -11.036 1.00 0.00 H new ATOM 560 N GLN A 950 1.634 19.158 -3.426 1.00 0.00 N ATOM 561 CA GLN A 950 2.046 19.681 -2.128 1.00 0.00 C ATOM 562 C GLN A 950 2.405 18.547 -1.174 1.00 0.00 C ATOM 563 O GLN A 950 1.547 18.029 -0.457 1.00 0.00 O ATOM 564 CB GLN A 950 0.933 20.539 -1.524 1.00 0.00 C ATOM 565 CG GLN A 950 0.763 21.885 -2.209 1.00 0.00 C ATOM 566 CD GLN A 950 -0.250 22.771 -1.512 1.00 0.00 C ATOM 567 OE1 GLN A 950 -1.212 23.235 -2.124 1.00 0.00 O ATOM 568 NE2 GLN A 950 -0.039 23.011 -0.223 1.00 0.00 N ATOM 0 H GLN A 950 0.639 19.260 -3.625 1.00 0.00 H new ATOM 0 HA GLN A 950 2.931 20.299 -2.277 1.00 0.00 H new ATOM 0 HB2 GLN A 950 -0.008 19.991 -1.580 1.00 0.00 H new ATOM 0 HB3 GLN A 950 1.145 20.703 -0.467 1.00 0.00 H new ATOM 0 HG2 GLN A 950 1.725 22.396 -2.241 1.00 0.00 H new ATOM 0 HG3 GLN A 950 0.452 21.726 -3.241 1.00 0.00 H new ATOM 0 HE21 GLN A 950 0.772 22.606 0.245 1.00 0.00 H new ATOM 0 HE22 GLN A 950 -0.688 23.600 0.299 1.00 0.00 H new ATOM 577 N VAL A 951 3.678 18.164 -1.169 1.00 0.00 N ATOM 578 CA VAL A 951 4.151 17.092 -0.301 1.00 0.00 C ATOM 579 C VAL A 951 4.524 17.625 1.077 1.00 0.00 C ATOM 580 O VAL A 951 5.349 18.531 1.201 1.00 0.00 O ATOM 581 CB VAL A 951 5.370 16.375 -0.910 1.00 0.00 C ATOM 582 CG1 VAL A 951 5.939 15.361 0.072 1.00 0.00 C ATOM 583 CG2 VAL A 951 4.993 15.704 -2.222 1.00 0.00 C ATOM 0 H VAL A 951 4.400 18.580 -1.757 1.00 0.00 H new ATOM 0 HA VAL A 951 3.332 16.380 -0.202 1.00 0.00 H new ATOM 0 HB VAL A 951 6.141 17.118 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 951 6.800 14.864 -0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 951 6.249 15.872 0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 951 5.177 14.620 0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 951 5.867 15.202 -2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 951 4.205 14.972 -2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 951 4.637 16.456 -2.926 1.00 0.00 H new ATOM 593 N ILE A 952 3.912 17.056 2.111 1.00 0.00 N ATOM 594 CA ILE A 952 4.182 17.473 3.481 1.00 0.00 C ATOM 595 C ILE A 952 5.679 17.465 3.774 1.00 0.00 C ATOM 596 O ILE A 952 6.382 16.488 3.517 1.00 0.00 O ATOM 597 CB ILE A 952 3.467 16.563 4.497 1.00 0.00 C ATOM 598 CG1 ILE A 952 1.950 16.688 4.348 1.00 0.00 C ATOM 599 CG2 ILE A 952 3.897 16.911 5.915 1.00 0.00 C ATOM 600 CD1 ILE A 952 1.176 15.697 5.189 1.00 0.00 C ATOM 0 H ILE A 952 3.226 16.306 2.025 1.00 0.00 H new ATOM 0 HA ILE A 952 3.800 18.489 3.583 1.00 0.00 H new ATOM 0 HB ILE A 952 3.748 15.529 4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 952 1.648 17.699 4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 952 1.683 16.549 3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 952 3.383 16.259 6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 952 4.974 16.774 6.013 1.00 0.00 H new ATOM 0 HG23 ILE A 952 3.642 17.949 6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 952 0.107 15.844 5.033 1.00 0.00 H new ATOM 0 HD12 ILE A 952 1.449 14.682 4.899 1.00 0.00 H new ATOM 0 HD13 ILE A 952 1.413 15.850 6.242 1.00 0.00 H new ATOM 612 N PRO A 953 6.179 18.581 4.325 1.00 0.00 N ATOM 613 CA PRO A 953 7.597 18.727 4.667 1.00 0.00 C ATOM 614 C PRO A 953 8.004 17.846 5.843 1.00 0.00 C ATOM 615 O PRO A 953 7.326 17.812 6.870 1.00 0.00 O ATOM 616 CB PRO A 953 7.721 20.207 5.040 1.00 0.00 C ATOM 617 CG PRO A 953 6.355 20.601 5.483 1.00 0.00 C ATOM 618 CD PRO A 953 5.400 19.785 4.658 1.00 0.00 C ATOM 0 HA PRO A 953 8.247 18.424 3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 953 8.453 20.355 5.834 1.00 0.00 H new ATOM 0 HB3 PRO A 953 8.049 20.804 4.189 1.00 0.00 H new ATOM 0 HG2 PRO A 953 6.218 20.405 6.546 1.00 0.00 H new ATOM 0 HG3 PRO A 953 6.188 21.668 5.332 1.00 0.00 H new ATOM 0 HD2 PRO A 953 4.497 19.538 5.216 1.00 0.00 H new ATOM 0 HD3 PRO A 953 5.085 20.320 3.762 1.00 0.00 H new ATOM 626 N GLY A 954 9.115 17.133 5.687 1.00 0.00 N ATOM 627 CA GLY A 954 9.593 16.262 6.744 1.00 0.00 C ATOM 628 C GLY A 954 8.921 14.903 6.724 1.00 0.00 C ATOM 629 O GLY A 954 9.246 14.030 7.528 1.00 0.00 O ATOM 0 H GLY A 954 9.693 17.143 4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 954 10.671 16.132 6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 954 9.417 16.737 7.709 1.00 0.00 H new ATOM 633 N SER A 955 7.980 14.724 5.802 1.00 0.00 N ATOM 634 CA SER A 955 7.255 13.464 5.684 1.00 0.00 C ATOM 635 C SER A 955 8.151 12.376 5.098 1.00 0.00 C ATOM 636 O SER A 955 8.294 11.297 5.673 1.00 0.00 O ATOM 637 CB SER A 955 6.014 13.645 4.809 1.00 0.00 C ATOM 638 OG SER A 955 6.322 13.448 3.439 1.00 0.00 O ATOM 0 H SER A 955 7.702 15.435 5.126 1.00 0.00 H new ATOM 0 HA SER A 955 6.944 13.157 6.682 1.00 0.00 H new ATOM 0 HB2 SER A 955 5.242 12.939 5.117 1.00 0.00 H new ATOM 0 HB3 SER A 955 5.606 14.646 4.953 1.00 0.00 H new ATOM 0 HG SER A 955 6.427 14.317 2.999 1.00 0.00 H new ATOM 644 N VAL A 956 8.751 12.668 3.949 1.00 0.00 N ATOM 645 CA VAL A 956 9.633 11.717 3.284 1.00 0.00 C ATOM 646 C VAL A 956 10.443 10.917 4.298 1.00 0.00 C ATOM 647 O VAL A 956 11.355 11.445 4.936 1.00 0.00 O ATOM 648 CB VAL A 956 10.600 12.428 2.318 1.00 0.00 C ATOM 649 CG1 VAL A 956 11.489 11.416 1.612 1.00 0.00 C ATOM 650 CG2 VAL A 956 9.826 13.265 1.311 1.00 0.00 C ATOM 0 H VAL A 956 8.642 13.556 3.459 1.00 0.00 H new ATOM 0 HA VAL A 956 8.996 11.039 2.715 1.00 0.00 H new ATOM 0 HB VAL A 956 11.239 13.096 2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 956 12.165 11.936 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 956 12.070 10.864 2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 956 10.870 10.721 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 956 10.524 13.760 0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 956 9.162 12.620 0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 956 9.237 14.015 1.838 1.00 0.00 H new ATOM 660 N CYS A 957 10.104 9.640 4.442 1.00 0.00 N ATOM 661 CA CYS A 957 10.799 8.766 5.380 1.00 0.00 C ATOM 662 C CYS A 957 11.385 7.554 4.661 1.00 0.00 C ATOM 663 O CYS A 957 10.654 6.658 4.237 1.00 0.00 O ATOM 664 CB CYS A 957 9.846 8.308 6.485 1.00 0.00 C ATOM 665 SG CYS A 957 9.747 9.440 7.890 1.00 0.00 S ATOM 0 H CYS A 957 9.353 9.188 3.921 1.00 0.00 H new ATOM 0 HA CYS A 957 11.617 9.331 5.828 1.00 0.00 H new ATOM 0 HB2 CYS A 957 8.849 8.183 6.062 1.00 0.00 H new ATOM 0 HB3 CYS A 957 10.165 7.329 6.843 1.00 0.00 H new ATOM 0 HG CYS A 957 9.140 10.531 7.527 1.00 0.00 H new ATOM 671 N LEU A 958 12.706 7.534 4.528 1.00 0.00 N ATOM 672 CA LEU A 958 13.391 6.433 3.859 1.00 0.00 C ATOM 673 C LEU A 958 13.476 5.212 4.769 1.00 0.00 C ATOM 674 O LEU A 958 13.699 5.335 5.973 1.00 0.00 O ATOM 675 CB LEU A 958 14.795 6.864 3.432 1.00 0.00 C ATOM 676 CG LEU A 958 14.874 7.774 2.206 1.00 0.00 C ATOM 677 CD1 LEU A 958 16.207 8.505 2.169 1.00 0.00 C ATOM 678 CD2 LEU A 958 14.670 6.969 0.930 1.00 0.00 C ATOM 0 H LEU A 958 13.325 8.267 4.874 1.00 0.00 H new ATOM 0 HA LEU A 958 12.815 6.164 2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 958 15.267 7.376 4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 958 15.384 5.968 3.233 1.00 0.00 H new ATOM 0 HG LEU A 958 14.078 8.515 2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 958 16.245 9.148 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 958 16.314 9.113 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 958 17.019 7.779 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 958 14.729 7.633 0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 958 15.444 6.205 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 958 13.690 6.492 0.954 1.00 0.00 H new ATOM 690 N LYS A 959 13.298 4.032 4.184 1.00 0.00 N ATOM 691 CA LYS A 959 13.357 2.786 4.940 1.00 0.00 C ATOM 692 C LYS A 959 14.754 2.177 4.875 1.00 0.00 C ATOM 693 O LYS A 959 15.385 2.158 3.818 1.00 0.00 O ATOM 694 CB LYS A 959 12.329 1.789 4.402 1.00 0.00 C ATOM 695 CG LYS A 959 10.929 2.004 4.951 1.00 0.00 C ATOM 696 CD LYS A 959 9.959 0.955 4.433 1.00 0.00 C ATOM 697 CE LYS A 959 8.794 0.752 5.389 1.00 0.00 C ATOM 698 NZ LYS A 959 8.025 -0.483 5.072 1.00 0.00 N ATOM 0 H LYS A 959 13.112 3.912 3.188 1.00 0.00 H new ATOM 0 HA LYS A 959 13.125 3.010 5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 959 12.299 1.862 3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 959 12.654 0.777 4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 959 10.955 1.970 6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 959 10.576 2.997 4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 959 9.581 1.258 3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 959 10.484 0.010 4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 959 9.169 0.694 6.411 1.00 0.00 H new ATOM 0 HE3 LYS A 959 8.130 1.615 5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 7.240 -0.586 5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 7.646 -0.417 4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 8.652 -1.310 5.142 1.00 0.00 H new ATOM 712 N TYR A 960 15.231 1.678 6.010 1.00 0.00 N ATOM 713 CA TYR A 960 16.553 1.069 6.082 1.00 0.00 C ATOM 714 C TYR A 960 16.489 -0.293 6.767 1.00 0.00 C ATOM 715 O TYR A 960 15.551 -0.584 7.508 1.00 0.00 O ATOM 716 CB TYR A 960 17.520 1.985 6.833 1.00 0.00 C ATOM 717 CG TYR A 960 17.779 3.299 6.131 1.00 0.00 C ATOM 718 CD1 TYR A 960 18.492 3.344 4.939 1.00 0.00 C ATOM 719 CD2 TYR A 960 17.311 4.495 6.660 1.00 0.00 C ATOM 720 CE1 TYR A 960 18.731 4.542 4.295 1.00 0.00 C ATOM 721 CE2 TYR A 960 17.544 5.698 6.021 1.00 0.00 C ATOM 722 CZ TYR A 960 18.254 5.716 4.839 1.00 0.00 C ATOM 723 OH TYR A 960 18.490 6.912 4.201 1.00 0.00 O ATOM 0 H TYR A 960 14.721 1.684 6.893 1.00 0.00 H new ATOM 0 HA TYR A 960 16.915 0.927 5.064 1.00 0.00 H new ATOM 0 HB2 TYR A 960 17.119 2.186 7.826 1.00 0.00 H new ATOM 0 HB3 TYR A 960 18.467 1.464 6.971 1.00 0.00 H new ATOM 0 HD1 TYR A 960 18.866 2.426 4.509 1.00 0.00 H new ATOM 0 HD2 TYR A 960 16.756 4.485 7.586 1.00 0.00 H new ATOM 0 HE1 TYR A 960 19.289 4.559 3.370 1.00 0.00 H new ATOM 0 HE2 TYR A 960 17.172 6.619 6.445 1.00 0.00 H new ATOM 0 HH TYR A 960 18.086 7.642 4.715 1.00 0.00 H new ATOM 733 N ASN A 961 17.495 -1.124 6.512 1.00 0.00 N ATOM 734 CA ASN A 961 17.554 -2.456 7.104 1.00 0.00 C ATOM 735 C ASN A 961 18.444 -2.461 8.343 1.00 0.00 C ATOM 736 O ASN A 961 19.023 -1.439 8.707 1.00 0.00 O ATOM 737 CB ASN A 961 18.077 -3.468 6.082 1.00 0.00 C ATOM 738 CG ASN A 961 19.178 -2.893 5.211 1.00 0.00 C ATOM 739 OD1 ASN A 961 18.916 -2.350 4.138 1.00 0.00 O ATOM 740 ND2 ASN A 961 20.418 -3.012 5.671 1.00 0.00 N ATOM 0 H ASN A 961 18.279 -0.899 5.900 1.00 0.00 H new ATOM 0 HA ASN A 961 16.545 -2.740 7.402 1.00 0.00 H new ATOM 0 HB2 ASN A 961 18.453 -4.347 6.605 1.00 0.00 H new ATOM 0 HB3 ASN A 961 17.254 -3.801 5.450 1.00 0.00 H new ATOM 0 HD21 ASN A 961 21.200 -2.645 5.129 1.00 0.00 H new ATOM 0 HD22 ASN A 961 20.588 -3.470 6.566 1.00 0.00 H new ATOM 747 N GLU A 962 18.547 -3.621 8.986 1.00 0.00 N ATOM 748 CA GLU A 962 19.366 -3.759 10.184 1.00 0.00 C ATOM 749 C GLU A 962 20.713 -3.064 10.006 1.00 0.00 C ATOM 750 O GLU A 962 21.140 -2.284 10.857 1.00 0.00 O ATOM 751 CB GLU A 962 19.582 -5.237 10.513 1.00 0.00 C ATOM 752 CG GLU A 962 20.732 -5.485 11.476 1.00 0.00 C ATOM 753 CD GLU A 962 20.568 -6.771 12.262 1.00 0.00 C ATOM 754 OE1 GLU A 962 19.517 -6.937 12.915 1.00 0.00 O ATOM 755 OE2 GLU A 962 21.491 -7.612 12.223 1.00 0.00 O ATOM 0 H GLU A 962 18.074 -4.477 8.697 1.00 0.00 H new ATOM 0 HA GLU A 962 18.838 -3.283 11.011 1.00 0.00 H new ATOM 0 HB2 GLU A 962 18.666 -5.643 10.942 1.00 0.00 H new ATOM 0 HB3 GLU A 962 19.769 -5.783 9.588 1.00 0.00 H new ATOM 0 HG2 GLU A 962 21.667 -5.522 10.917 1.00 0.00 H new ATOM 0 HG3 GLU A 962 20.808 -4.647 12.169 1.00 0.00 H new ATOM 762 N LYS A 963 21.378 -3.353 8.893 1.00 0.00 N ATOM 763 CA LYS A 963 22.676 -2.757 8.600 1.00 0.00 C ATOM 764 C LYS A 963 22.564 -1.241 8.481 1.00 0.00 C ATOM 765 O LYS A 963 23.408 -0.504 8.990 1.00 0.00 O ATOM 766 CB LYS A 963 23.248 -3.341 7.306 1.00 0.00 C ATOM 767 CG LYS A 963 23.885 -4.708 7.484 1.00 0.00 C ATOM 768 CD LYS A 963 24.988 -4.947 6.466 1.00 0.00 C ATOM 769 CE LYS A 963 24.436 -5.525 5.172 1.00 0.00 C ATOM 770 NZ LYS A 963 23.897 -4.465 4.276 1.00 0.00 N ATOM 0 H LYS A 963 21.039 -3.997 8.178 1.00 0.00 H new ATOM 0 HA LYS A 963 23.350 -2.990 9.425 1.00 0.00 H new ATOM 0 HB2 LYS A 963 22.450 -3.415 6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 963 23.992 -2.653 6.904 1.00 0.00 H new ATOM 0 HG2 LYS A 963 24.294 -4.791 8.491 1.00 0.00 H new ATOM 0 HG3 LYS A 963 23.123 -5.481 7.384 1.00 0.00 H new ATOM 0 HD2 LYS A 963 25.501 -4.008 6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 963 25.729 -5.629 6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 963 25.223 -6.072 4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 963 23.648 -6.242 5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 963 23.846 -4.826 3.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 963 22.945 -4.193 4.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 963 24.523 -3.635 4.305 1.00 0.00 H new ATOM 784 N GLY A 964 21.516 -0.781 7.805 1.00 0.00 N ATOM 785 CA GLY A 964 21.312 0.646 7.632 1.00 0.00 C ATOM 786 C GLY A 964 21.176 1.040 6.175 1.00 0.00 C ATOM 787 O GLY A 964 20.800 2.170 5.863 1.00 0.00 O ATOM 0 H GLY A 964 20.804 -1.371 7.374 1.00 0.00 H new ATOM 0 HA2 GLY A 964 20.415 0.950 8.172 1.00 0.00 H new ATOM 0 HA3 GLY A 964 22.149 1.186 8.074 1.00 0.00 H new ATOM 791 N MET A 965 21.485 0.107 5.280 1.00 0.00 N ATOM 792 CA MET A 965 21.395 0.364 3.847 1.00 0.00 C ATOM 793 C MET A 965 19.947 0.594 3.426 1.00 0.00 C ATOM 794 O MET A 965 19.006 0.172 4.097 1.00 0.00 O ATOM 795 CB MET A 965 21.988 -0.806 3.059 1.00 0.00 C ATOM 796 CG MET A 965 23.506 -0.787 2.994 1.00 0.00 C ATOM 797 SD MET A 965 24.131 0.254 1.660 1.00 0.00 S ATOM 798 CE MET A 965 25.865 0.359 2.096 1.00 0.00 C ATOM 0 H MET A 965 21.800 -0.833 5.521 1.00 0.00 H new ATOM 0 HA MET A 965 21.966 1.266 3.628 1.00 0.00 H new ATOM 0 HB2 MET A 965 21.664 -1.742 3.514 1.00 0.00 H new ATOM 0 HB3 MET A 965 21.589 -0.790 2.045 1.00 0.00 H new ATOM 0 HG2 MET A 965 23.902 -0.430 3.945 1.00 0.00 H new ATOM 0 HG3 MET A 965 23.873 -1.804 2.858 1.00 0.00 H new ATOM 0 HE1 MET A 965 26.388 0.973 1.363 1.00 0.00 H new ATOM 0 HE2 MET A 965 25.965 0.809 3.084 1.00 0.00 H new ATOM 0 HE3 MET A 965 26.298 -0.641 2.108 1.00 0.00 H new ATOM 808 N PRO A 966 19.763 1.281 2.288 1.00 0.00 N ATOM 809 CA PRO A 966 18.432 1.582 1.752 1.00 0.00 C ATOM 810 C PRO A 966 17.721 0.338 1.231 1.00 0.00 C ATOM 811 O PRO A 966 18.340 -0.534 0.620 1.00 0.00 O ATOM 812 CB PRO A 966 18.724 2.551 0.604 1.00 0.00 C ATOM 813 CG PRO A 966 20.119 2.236 0.187 1.00 0.00 C ATOM 814 CD PRO A 966 20.840 1.815 1.437 1.00 0.00 C ATOM 0 HA PRO A 966 17.768 1.989 2.514 1.00 0.00 H new ATOM 0 HB2 PRO A 966 18.024 2.411 -0.220 1.00 0.00 H new ATOM 0 HB3 PRO A 966 18.632 3.588 0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 966 20.133 1.441 -0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 966 20.597 3.105 -0.265 1.00 0.00 H new ATOM 0 HD2 PRO A 966 21.599 1.061 1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 966 21.347 2.655 1.911 1.00 0.00 H new ATOM 822 N THR A 967 16.417 0.260 1.477 1.00 0.00 N ATOM 823 CA THR A 967 15.622 -0.878 1.034 1.00 0.00 C ATOM 824 C THR A 967 14.710 -0.493 -0.125 1.00 0.00 C ATOM 825 O THR A 967 13.600 -1.009 -0.252 1.00 0.00 O ATOM 826 CB THR A 967 14.765 -1.445 2.181 1.00 0.00 C ATOM 827 OG1 THR A 967 14.004 -0.395 2.789 1.00 0.00 O ATOM 828 CG2 THR A 967 15.639 -2.118 3.228 1.00 0.00 C ATOM 0 H THR A 967 15.889 0.972 1.981 1.00 0.00 H new ATOM 0 HA THR A 967 16.323 -1.644 0.702 1.00 0.00 H new ATOM 0 HB THR A 967 14.087 -2.190 1.765 1.00 0.00 H new ATOM 0 HG1 THR A 967 13.247 -0.780 3.278 1.00 0.00 H new ATOM 0 HG21 THR A 967 15.011 -2.511 4.028 1.00 0.00 H new ATOM 0 HG22 THR A 967 16.194 -2.935 2.768 1.00 0.00 H new ATOM 0 HG23 THR A 967 16.339 -1.391 3.640 1.00 0.00 H new ATOM 836 N GLY A 968 15.186 0.417 -0.971 1.00 0.00 N ATOM 837 CA GLY A 968 14.399 0.854 -2.109 1.00 0.00 C ATOM 838 C GLY A 968 12.946 1.093 -1.752 1.00 0.00 C ATOM 839 O GLY A 968 12.045 0.674 -2.479 1.00 0.00 O ATOM 0 H GLY A 968 16.102 0.858 -0.888 1.00 0.00 H new ATOM 0 HA2 GLY A 968 14.827 1.772 -2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 968 14.457 0.103 -2.897 1.00 0.00 H new ATOM 843 N GLU A 969 12.716 1.768 -0.630 1.00 0.00 N ATOM 844 CA GLU A 969 11.361 2.059 -0.178 1.00 0.00 C ATOM 845 C GLU A 969 11.309 3.390 0.566 1.00 0.00 C ATOM 846 O GLU A 969 12.253 3.760 1.263 1.00 0.00 O ATOM 847 CB GLU A 969 10.849 0.936 0.728 1.00 0.00 C ATOM 848 CG GLU A 969 10.128 -0.171 -0.023 1.00 0.00 C ATOM 849 CD GLU A 969 9.836 -1.374 0.851 1.00 0.00 C ATOM 850 OE1 GLU A 969 10.787 -2.111 1.185 1.00 0.00 O ATOM 851 OE2 GLU A 969 8.655 -1.579 1.202 1.00 0.00 O ATOM 0 H GLU A 969 13.450 2.123 -0.018 1.00 0.00 H new ATOM 0 HA GLU A 969 10.720 2.128 -1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 969 11.691 0.506 1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 969 10.173 1.360 1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 969 9.192 0.217 -0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 969 10.735 -0.483 -0.873 1.00 0.00 H new ATOM 858 N ALA A 970 10.200 4.105 0.410 1.00 0.00 N ATOM 859 CA ALA A 970 10.024 5.394 1.068 1.00 0.00 C ATOM 860 C ALA A 970 8.553 5.663 1.365 1.00 0.00 C ATOM 861 O ALA A 970 7.668 5.161 0.671 1.00 0.00 O ATOM 862 CB ALA A 970 10.602 6.508 0.208 1.00 0.00 C ATOM 0 H ALA A 970 9.410 3.814 -0.166 1.00 0.00 H new ATOM 0 HA ALA A 970 10.560 5.366 2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 970 10.464 7.465 0.711 1.00 0.00 H new ATOM 0 HB2 ALA A 970 11.666 6.331 0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 970 10.091 6.527 -0.755 1.00 0.00 H new ATOM 868 N MET A 971 8.298 6.456 2.401 1.00 0.00 N ATOM 869 CA MET A 971 6.933 6.790 2.789 1.00 0.00 C ATOM 870 C MET A 971 6.748 8.302 2.880 1.00 0.00 C ATOM 871 O MET A 971 7.648 9.022 3.313 1.00 0.00 O ATOM 872 CB MET A 971 6.588 6.141 4.131 1.00 0.00 C ATOM 873 CG MET A 971 5.989 4.750 3.997 1.00 0.00 C ATOM 874 SD MET A 971 5.549 4.027 5.589 1.00 0.00 S ATOM 875 CE MET A 971 4.601 2.602 5.063 1.00 0.00 C ATOM 0 H MET A 971 9.019 6.879 2.986 1.00 0.00 H new ATOM 0 HA MET A 971 6.260 6.405 2.023 1.00 0.00 H new ATOM 0 HB2 MET A 971 7.490 6.082 4.739 1.00 0.00 H new ATOM 0 HB3 MET A 971 5.885 6.781 4.665 1.00 0.00 H new ATOM 0 HG2 MET A 971 5.101 4.800 3.367 1.00 0.00 H new ATOM 0 HG3 MET A 971 6.702 4.099 3.491 1.00 0.00 H new ATOM 0 HE1 MET A 971 4.258 2.050 5.938 1.00 0.00 H new ATOM 0 HE2 MET A 971 3.740 2.932 4.481 1.00 0.00 H new ATOM 0 HE3 MET A 971 5.227 1.955 4.449 1.00 0.00 H new ATOM 885 N VAL A 972 5.577 8.777 2.468 1.00 0.00 N ATOM 886 CA VAL A 972 5.275 10.202 2.503 1.00 0.00 C ATOM 887 C VAL A 972 3.857 10.451 3.005 1.00 0.00 C ATOM 888 O VAL A 972 3.034 9.537 3.051 1.00 0.00 O ATOM 889 CB VAL A 972 5.436 10.845 1.113 1.00 0.00 C ATOM 890 CG1 VAL A 972 6.895 10.833 0.684 1.00 0.00 C ATOM 891 CG2 VAL A 972 4.565 10.129 0.092 1.00 0.00 C ATOM 0 H VAL A 972 4.822 8.195 2.106 1.00 0.00 H new ATOM 0 HA VAL A 972 5.987 10.659 3.191 1.00 0.00 H new ATOM 0 HB VAL A 972 5.109 11.883 1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 972 6.989 11.291 -0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 972 7.491 11.394 1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 972 7.253 9.804 0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 972 4.691 10.596 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 972 4.859 9.081 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 972 3.520 10.196 0.394 1.00 0.00 H new ATOM 901 N ALA A 973 3.578 11.695 3.381 1.00 0.00 N ATOM 902 CA ALA A 973 2.258 12.065 3.877 1.00 0.00 C ATOM 903 C ALA A 973 1.659 13.199 3.051 1.00 0.00 C ATOM 904 O ALA A 973 2.382 14.034 2.507 1.00 0.00 O ATOM 905 CB ALA A 973 2.339 12.464 5.343 1.00 0.00 C ATOM 0 H ALA A 973 4.248 12.463 3.352 1.00 0.00 H new ATOM 0 HA ALA A 973 1.605 11.197 3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 973 1.347 12.738 5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 973 2.717 11.626 5.928 1.00 0.00 H new ATOM 0 HB3 ALA A 973 3.012 13.315 5.452 1.00 0.00 H new ATOM 911 N PHE A 974 0.334 13.222 2.960 1.00 0.00 N ATOM 912 CA PHE A 974 -0.363 14.252 2.199 1.00 0.00 C ATOM 913 C PHE A 974 -1.483 14.876 3.026 1.00 0.00 C ATOM 914 O PHE A 974 -2.220 14.175 3.719 1.00 0.00 O ATOM 915 CB PHE A 974 -0.934 13.663 0.907 1.00 0.00 C ATOM 916 CG PHE A 974 0.057 13.615 -0.220 1.00 0.00 C ATOM 917 CD1 PHE A 974 1.013 12.613 -0.277 1.00 0.00 C ATOM 918 CD2 PHE A 974 0.033 14.571 -1.222 1.00 0.00 C ATOM 919 CE1 PHE A 974 1.927 12.567 -1.313 1.00 0.00 C ATOM 920 CE2 PHE A 974 0.945 14.530 -2.261 1.00 0.00 C ATOM 921 CZ PHE A 974 1.892 13.526 -2.307 1.00 0.00 C ATOM 0 H PHE A 974 -0.279 12.539 3.404 1.00 0.00 H new ATOM 0 HA PHE A 974 0.356 15.032 1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 974 -1.295 12.654 1.106 1.00 0.00 H new ATOM 0 HB3 PHE A 974 -1.796 14.254 0.597 1.00 0.00 H new ATOM 0 HD1 PHE A 974 1.044 11.860 0.497 1.00 0.00 H new ATOM 0 HD2 PHE A 974 -0.706 15.358 -1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 974 2.668 11.782 -1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 974 0.917 15.282 -3.035 1.00 0.00 H new ATOM 0 HZ PHE A 974 2.604 13.490 -3.118 1.00 0.00 H new ATOM 931 N GLU A 975 -1.604 16.197 2.946 1.00 0.00 N ATOM 932 CA GLU A 975 -2.633 16.916 3.688 1.00 0.00 C ATOM 933 C GLU A 975 -4.011 16.675 3.079 1.00 0.00 C ATOM 934 O GLU A 975 -5.006 16.554 3.794 1.00 0.00 O ATOM 935 CB GLU A 975 -2.326 18.415 3.708 1.00 0.00 C ATOM 936 CG GLU A 975 -0.893 18.737 4.096 1.00 0.00 C ATOM 937 CD GLU A 975 -0.446 20.097 3.596 1.00 0.00 C ATOM 938 OE1 GLU A 975 -1.238 21.057 3.700 1.00 0.00 O ATOM 939 OE2 GLU A 975 0.696 20.202 3.101 1.00 0.00 O ATOM 0 H GLU A 975 -1.003 16.791 2.375 1.00 0.00 H new ATOM 0 HA GLU A 975 -2.637 16.540 4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 975 -2.529 18.832 2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 975 -3.002 18.907 4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 975 -0.798 18.704 5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 975 -0.230 17.970 3.694 1.00 0.00 H new ATOM 946 N SER A 976 -4.061 16.608 1.752 1.00 0.00 N ATOM 947 CA SER A 976 -5.317 16.387 1.045 1.00 0.00 C ATOM 948 C SER A 976 -5.389 14.965 0.497 1.00 0.00 C ATOM 949 O SER A 976 -4.448 14.483 -0.133 1.00 0.00 O ATOM 950 CB SER A 976 -5.468 17.394 -0.097 1.00 0.00 C ATOM 951 OG SER A 976 -6.742 17.286 -0.707 1.00 0.00 O ATOM 0 H SER A 976 -3.247 16.704 1.145 1.00 0.00 H new ATOM 0 HA SER A 976 -6.134 16.527 1.753 1.00 0.00 H new ATOM 0 HB2 SER A 976 -5.329 18.405 0.285 1.00 0.00 H new ATOM 0 HB3 SER A 976 -4.690 17.224 -0.841 1.00 0.00 H new ATOM 0 HG SER A 976 -6.759 17.824 -1.526 1.00 0.00 H new ATOM 957 N ARG A 977 -6.513 14.300 0.741 1.00 0.00 N ATOM 958 CA ARG A 977 -6.709 12.933 0.274 1.00 0.00 C ATOM 959 C ARG A 977 -6.699 12.873 -1.251 1.00 0.00 C ATOM 960 O ARG A 977 -6.037 12.021 -1.844 1.00 0.00 O ATOM 961 CB ARG A 977 -8.028 12.372 0.808 1.00 0.00 C ATOM 962 CG ARG A 977 -8.076 10.853 0.840 1.00 0.00 C ATOM 963 CD ARG A 977 -9.203 10.350 1.729 1.00 0.00 C ATOM 964 NE ARG A 977 -8.932 10.590 3.144 1.00 0.00 N ATOM 965 CZ ARG A 977 -9.766 10.246 4.120 1.00 0.00 C ATOM 966 NH1 ARG A 977 -10.916 9.651 3.835 1.00 0.00 N ATOM 967 NH2 ARG A 977 -9.449 10.498 5.383 1.00 0.00 N ATOM 0 H ARG A 977 -7.302 14.686 1.260 1.00 0.00 H new ATOM 0 HA ARG A 977 -5.886 12.326 0.650 1.00 0.00 H new ATOM 0 HB2 ARG A 977 -8.194 12.753 1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 977 -8.846 12.740 0.189 1.00 0.00 H new ATOM 0 HG2 ARG A 977 -8.211 10.471 -0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 977 -7.124 10.465 1.203 1.00 0.00 H new ATOM 0 HD2 ARG A 977 -10.134 10.844 1.449 1.00 0.00 H new ATOM 0 HD3 ARG A 977 -9.347 9.282 1.563 1.00 0.00 H new ATOM 0 HE ARG A 977 -8.055 11.046 3.397 1.00 0.00 H new ATOM 0 HH11 ARG A 977 -11.163 9.456 2.865 1.00 0.00 H new ATOM 0 HH12 ARG A 977 -11.554 9.388 4.586 1.00 0.00 H new ATOM 0 HH21 ARG A 977 -8.565 10.956 5.605 1.00 0.00 H new ATOM 0 HH22 ARG A 977 -10.089 10.234 6.132 1.00 0.00 H new ATOM 981 N ASP A 978 -7.437 13.782 -1.878 1.00 0.00 N ATOM 982 CA ASP A 978 -7.513 13.833 -3.334 1.00 0.00 C ATOM 983 C ASP A 978 -6.126 14.007 -3.944 1.00 0.00 C ATOM 984 O ASP A 978 -5.839 13.478 -5.018 1.00 0.00 O ATOM 985 CB ASP A 978 -8.427 14.975 -3.778 1.00 0.00 C ATOM 986 CG ASP A 978 -8.143 15.426 -5.198 1.00 0.00 C ATOM 987 OD1 ASP A 978 -8.102 14.561 -6.097 1.00 0.00 O ATOM 988 OD2 ASP A 978 -7.961 16.643 -5.409 1.00 0.00 O ATOM 0 H ASP A 978 -7.991 14.494 -1.401 1.00 0.00 H new ATOM 0 HA ASP A 978 -7.929 12.889 -3.686 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -9.466 14.655 -3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -8.304 15.820 -3.100 1.00 0.00 H new ATOM 993 N GLU A 979 -5.270 14.754 -3.253 1.00 0.00 N ATOM 994 CA GLU A 979 -3.914 15.000 -3.730 1.00 0.00 C ATOM 995 C GLU A 979 -3.087 13.718 -3.701 1.00 0.00 C ATOM 996 O GLU A 979 -2.405 13.384 -4.670 1.00 0.00 O ATOM 997 CB GLU A 979 -3.238 16.076 -2.878 1.00 0.00 C ATOM 998 CG GLU A 979 -3.592 17.494 -3.294 1.00 0.00 C ATOM 999 CD GLU A 979 -5.064 17.654 -3.622 1.00 0.00 C ATOM 1000 OE1 GLU A 979 -5.484 17.194 -4.704 1.00 0.00 O ATOM 1001 OE2 GLU A 979 -5.796 18.240 -2.797 1.00 0.00 O ATOM 0 H GLU A 979 -5.491 15.199 -2.362 1.00 0.00 H new ATOM 0 HA GLU A 979 -3.976 15.349 -4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 979 -3.520 15.931 -1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 979 -2.157 15.948 -2.937 1.00 0.00 H new ATOM 0 HG2 GLU A 979 -3.325 18.182 -2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 979 -2.997 17.773 -4.164 1.00 0.00 H new ATOM 1008 N ALA A 980 -3.152 13.004 -2.582 1.00 0.00 N ATOM 1009 CA ALA A 980 -2.411 11.758 -2.426 1.00 0.00 C ATOM 1010 C ALA A 980 -2.772 10.764 -3.524 1.00 0.00 C ATOM 1011 O ALA A 980 -1.895 10.181 -4.163 1.00 0.00 O ATOM 1012 CB ALA A 980 -2.676 11.154 -1.056 1.00 0.00 C ATOM 0 H ALA A 980 -3.710 13.267 -1.770 1.00 0.00 H new ATOM 0 HA ALA A 980 -1.348 11.983 -2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 980 -2.116 10.224 -0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 980 -2.361 11.854 -0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 980 -3.741 10.950 -0.948 1.00 0.00 H new ATOM 1018 N THR A 981 -4.070 10.572 -3.739 1.00 0.00 N ATOM 1019 CA THR A 981 -4.547 9.646 -4.759 1.00 0.00 C ATOM 1020 C THR A 981 -4.155 10.116 -6.155 1.00 0.00 C ATOM 1021 O THR A 981 -3.709 9.324 -6.984 1.00 0.00 O ATOM 1022 CB THR A 981 -6.078 9.482 -4.696 1.00 0.00 C ATOM 1023 OG1 THR A 981 -6.506 9.400 -3.332 1.00 0.00 O ATOM 1024 CG2 THR A 981 -6.519 8.235 -5.447 1.00 0.00 C ATOM 0 H THR A 981 -4.810 11.046 -3.220 1.00 0.00 H new ATOM 0 HA THR A 981 -4.077 8.684 -4.557 1.00 0.00 H new ATOM 0 HB THR A 981 -6.535 10.352 -5.168 1.00 0.00 H new ATOM 0 HG1 THR A 981 -7.480 9.298 -3.300 1.00 0.00 H new ATOM 0 HG21 THR A 981 -7.603 8.140 -5.389 1.00 0.00 H new ATOM 0 HG22 THR A 981 -6.217 8.313 -6.491 1.00 0.00 H new ATOM 0 HG23 THR A 981 -6.053 7.357 -5.000 1.00 0.00 H new ATOM 1032 N ALA A 982 -4.324 11.410 -6.408 1.00 0.00 N ATOM 1033 CA ALA A 982 -3.985 11.985 -7.704 1.00 0.00 C ATOM 1034 C ALA A 982 -2.496 11.839 -7.996 1.00 0.00 C ATOM 1035 O ALA A 982 -2.103 11.501 -9.112 1.00 0.00 O ATOM 1036 CB ALA A 982 -4.394 13.450 -7.754 1.00 0.00 C ATOM 0 H ALA A 982 -4.693 12.079 -5.733 1.00 0.00 H new ATOM 0 HA ALA A 982 -4.534 11.439 -8.471 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -4.135 13.867 -8.727 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -5.470 13.533 -7.598 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -3.871 14.001 -6.972 1.00 0.00 H new ATOM 1042 N ALA A 983 -1.671 12.098 -6.987 1.00 0.00 N ATOM 1043 CA ALA A 983 -0.225 11.994 -7.136 1.00 0.00 C ATOM 1044 C ALA A 983 0.194 10.560 -7.443 1.00 0.00 C ATOM 1045 O ALA A 983 1.076 10.323 -8.268 1.00 0.00 O ATOM 1046 CB ALA A 983 0.473 12.492 -5.879 1.00 0.00 C ATOM 0 H ALA A 983 -1.980 12.382 -6.057 1.00 0.00 H new ATOM 0 HA ALA A 983 0.074 12.620 -7.977 1.00 0.00 H new ATOM 0 HB1 ALA A 983 1.552 12.408 -6.005 1.00 0.00 H new ATOM 0 HB2 ALA A 983 0.208 13.535 -5.704 1.00 0.00 H new ATOM 0 HB3 ALA A 983 0.159 11.890 -5.026 1.00 0.00 H new ATOM 1052 N VAL A 984 -0.444 9.606 -6.772 1.00 0.00 N ATOM 1053 CA VAL A 984 -0.138 8.195 -6.973 1.00 0.00 C ATOM 1054 C VAL A 984 -0.511 7.747 -8.382 1.00 0.00 C ATOM 1055 O VAL A 984 0.293 7.130 -9.081 1.00 0.00 O ATOM 1056 CB VAL A 984 -0.877 7.309 -5.952 1.00 0.00 C ATOM 1057 CG1 VAL A 984 -0.622 5.837 -6.239 1.00 0.00 C ATOM 1058 CG2 VAL A 984 -0.455 7.665 -4.535 1.00 0.00 C ATOM 0 H VAL A 984 -1.176 9.785 -6.085 1.00 0.00 H new ATOM 0 HA VAL A 984 0.937 8.081 -6.831 1.00 0.00 H new ATOM 0 HB VAL A 984 -1.947 7.492 -6.045 1.00 0.00 H new ATOM 0 HG11 VAL A 984 -1.152 5.227 -5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 984 -0.978 5.595 -7.240 1.00 0.00 H new ATOM 0 HG13 VAL A 984 0.447 5.634 -6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 984 -0.987 7.030 -3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 984 0.619 7.511 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 984 -0.694 8.710 -4.336 1.00 0.00 H new ATOM 1068 N ILE A 985 -1.735 8.063 -8.793 1.00 0.00 N ATOM 1069 CA ILE A 985 -2.213 7.694 -10.119 1.00 0.00 C ATOM 1070 C ILE A 985 -1.419 8.408 -11.208 1.00 0.00 C ATOM 1071 O ILE A 985 -1.020 7.798 -12.200 1.00 0.00 O ATOM 1072 CB ILE A 985 -3.708 8.023 -10.290 1.00 0.00 C ATOM 1073 CG1 ILE A 985 -4.531 7.339 -9.197 1.00 0.00 C ATOM 1074 CG2 ILE A 985 -4.190 7.597 -11.668 1.00 0.00 C ATOM 1075 CD1 ILE A 985 -5.880 7.984 -8.963 1.00 0.00 C ATOM 0 H ILE A 985 -2.413 8.573 -8.227 1.00 0.00 H new ATOM 0 HA ILE A 985 -2.073 6.618 -10.217 1.00 0.00 H new ATOM 0 HB ILE A 985 -3.840 9.101 -10.198 1.00 0.00 H new ATOM 0 HG12 ILE A 985 -4.679 6.293 -9.466 1.00 0.00 H new ATOM 0 HG13 ILE A 985 -3.965 7.352 -8.266 1.00 0.00 H new ATOM 0 HG21 ILE A 985 -5.248 7.836 -11.773 1.00 0.00 H new ATOM 0 HG22 ILE A 985 -3.621 8.126 -12.432 1.00 0.00 H new ATOM 0 HG23 ILE A 985 -4.047 6.523 -11.787 1.00 0.00 H new ATOM 0 HD11 ILE A 985 -6.408 7.447 -8.175 1.00 0.00 H new ATOM 0 HD12 ILE A 985 -5.740 9.023 -8.663 1.00 0.00 H new ATOM 0 HD13 ILE A 985 -6.465 7.948 -9.882 1.00 0.00 H new ATOM 1087 N ASP A 986 -1.193 9.702 -11.015 1.00 0.00 N ATOM 1088 CA ASP A 986 -0.443 10.500 -11.979 1.00 0.00 C ATOM 1089 C ASP A 986 1.016 10.059 -12.032 1.00 0.00 C ATOM 1090 O ASP A 986 1.684 10.205 -13.056 1.00 0.00 O ATOM 1091 CB ASP A 986 -0.528 11.984 -11.621 1.00 0.00 C ATOM 1092 CG ASP A 986 -0.441 12.880 -12.841 1.00 0.00 C ATOM 1093 OD1 ASP A 986 0.677 13.056 -13.369 1.00 0.00 O ATOM 1094 OD2 ASP A 986 -1.491 13.404 -13.268 1.00 0.00 O ATOM 0 H ASP A 986 -1.518 10.222 -10.200 1.00 0.00 H new ATOM 0 HA ASP A 986 -0.886 10.346 -12.963 1.00 0.00 H new ATOM 0 HB2 ASP A 986 -1.466 12.176 -11.099 1.00 0.00 H new ATOM 0 HB3 ASP A 986 0.278 12.235 -10.931 1.00 0.00 H new ATOM 1099 N LEU A 987 1.506 9.519 -10.921 1.00 0.00 N ATOM 1100 CA LEU A 987 2.887 9.057 -10.839 1.00 0.00 C ATOM 1101 C LEU A 987 2.946 7.578 -10.472 1.00 0.00 C ATOM 1102 O LEU A 987 3.895 7.124 -9.835 1.00 0.00 O ATOM 1103 CB LEU A 987 3.661 9.881 -9.809 1.00 0.00 C ATOM 1104 CG LEU A 987 3.265 11.353 -9.693 1.00 0.00 C ATOM 1105 CD1 LEU A 987 3.608 11.891 -8.312 1.00 0.00 C ATOM 1106 CD2 LEU A 987 3.949 12.178 -10.773 1.00 0.00 C ATOM 0 H LEU A 987 0.967 9.390 -10.065 1.00 0.00 H new ATOM 0 HA LEU A 987 3.346 9.188 -11.819 1.00 0.00 H new ATOM 0 HB2 LEU A 987 3.537 9.414 -8.832 1.00 0.00 H new ATOM 0 HB3 LEU A 987 4.722 9.829 -10.055 1.00 0.00 H new ATOM 0 HG LEU A 987 2.187 11.430 -9.834 1.00 0.00 H new ATOM 0 HD11 LEU A 987 3.319 12.940 -8.248 1.00 0.00 H new ATOM 0 HD12 LEU A 987 3.070 11.320 -7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 987 4.681 11.799 -8.142 1.00 0.00 H new ATOM 0 HD21 LEU A 987 3.655 13.223 -10.674 1.00 0.00 H new ATOM 0 HD22 LEU A 987 5.030 12.094 -10.665 1.00 0.00 H new ATOM 0 HD23 LEU A 987 3.653 11.809 -11.755 1.00 0.00 H new ATOM 1118 N ASN A 988 1.925 6.831 -10.880 1.00 0.00 N ATOM 1119 CA ASN A 988 1.862 5.402 -10.595 1.00 0.00 C ATOM 1120 C ASN A 988 2.681 4.608 -11.608 1.00 0.00 C ATOM 1121 O ASN A 988 2.512 4.765 -12.818 1.00 0.00 O ATOM 1122 CB ASN A 988 0.409 4.922 -10.609 1.00 0.00 C ATOM 1123 CG ASN A 988 0.282 3.475 -11.044 1.00 0.00 C ATOM 1124 OD1 ASN A 988 0.567 2.555 -10.129 1.00 0.00 O flip ATOM 1125 ND2 ASN A 988 -0.067 3.187 -12.189 1.00 0.00 N flip ATOM 0 H ASN A 988 1.131 7.191 -11.409 1.00 0.00 H new ATOM 0 HA ASN A 988 2.284 5.236 -9.604 1.00 0.00 H new ATOM 0 HB2 ASN A 988 -0.019 5.038 -9.613 1.00 0.00 H new ATOM 0 HB3 ASN A 988 -0.173 5.553 -11.281 1.00 0.00 H new ATOM 0 HD21 ASN A 988 -0.276 3.927 -12.860 1.00 0.00 H new ATOM 0 HD22 ASN A 988 -0.147 2.209 -12.467 1.00 0.00 H new ATOM 1132 N ASP A 989 3.568 3.756 -11.106 1.00 0.00 N ATOM 1133 CA ASP A 989 4.413 2.936 -11.966 1.00 0.00 C ATOM 1134 C ASP A 989 5.305 3.809 -12.843 1.00 0.00 C ATOM 1135 O ASP A 989 5.486 3.534 -14.030 1.00 0.00 O ATOM 1136 CB ASP A 989 3.553 2.023 -12.841 1.00 0.00 C ATOM 1137 CG ASP A 989 2.509 1.269 -12.040 1.00 0.00 C ATOM 1138 OD1 ASP A 989 2.776 0.963 -10.860 1.00 0.00 O ATOM 1139 OD2 ASP A 989 1.427 0.984 -12.595 1.00 0.00 O ATOM 0 H ASP A 989 3.721 3.615 -10.107 1.00 0.00 H new ATOM 0 HA ASP A 989 5.050 2.322 -11.329 1.00 0.00 H new ATOM 0 HB2 ASP A 989 3.058 2.620 -13.607 1.00 0.00 H new ATOM 0 HB3 ASP A 989 4.195 1.310 -13.358 1.00 0.00 H new ATOM 1144 N ARG A 990 5.859 4.863 -12.252 1.00 0.00 N ATOM 1145 CA ARG A 990 6.730 5.777 -12.980 1.00 0.00 C ATOM 1146 C ARG A 990 8.161 5.249 -13.020 1.00 0.00 C ATOM 1147 O ARG A 990 8.714 4.808 -12.013 1.00 0.00 O ATOM 1148 CB ARG A 990 6.704 7.163 -12.333 1.00 0.00 C ATOM 1149 CG ARG A 990 5.410 7.923 -12.572 1.00 0.00 C ATOM 1150 CD ARG A 990 5.459 8.714 -13.870 1.00 0.00 C ATOM 1151 NE ARG A 990 5.056 7.906 -15.018 1.00 0.00 N ATOM 1152 CZ ARG A 990 3.802 7.541 -15.256 1.00 0.00 C ATOM 1153 NH1 ARG A 990 2.833 7.909 -14.430 1.00 0.00 N ATOM 1154 NH2 ARG A 990 3.514 6.805 -16.323 1.00 0.00 N ATOM 0 H ARG A 990 5.720 5.105 -11.271 1.00 0.00 H new ATOM 0 HA ARG A 990 6.361 5.854 -14.003 1.00 0.00 H new ATOM 0 HB2 ARG A 990 6.860 7.056 -11.259 1.00 0.00 H new ATOM 0 HB3 ARG A 990 7.537 7.750 -12.719 1.00 0.00 H new ATOM 0 HG2 ARG A 990 4.576 7.222 -12.603 1.00 0.00 H new ATOM 0 HG3 ARG A 990 5.226 8.601 -11.739 1.00 0.00 H new ATOM 0 HD2 ARG A 990 4.805 9.582 -13.790 1.00 0.00 H new ATOM 0 HD3 ARG A 990 6.470 9.090 -14.028 1.00 0.00 H new ATOM 0 HE ARG A 990 5.778 7.606 -15.673 1.00 0.00 H new ATOM 0 HH11 ARG A 990 3.050 8.474 -13.609 1.00 0.00 H new ATOM 0 HH12 ARG A 990 1.870 7.627 -14.615 1.00 0.00 H new ATOM 0 HH21 ARG A 990 4.257 6.519 -16.961 1.00 0.00 H new ATOM 0 HH22 ARG A 990 2.550 6.525 -16.505 1.00 0.00 H new ATOM 1168 N PRO A 991 8.775 5.294 -14.212 1.00 0.00 N ATOM 1169 CA PRO A 991 10.149 4.824 -14.412 1.00 0.00 C ATOM 1170 C PRO A 991 11.175 5.729 -13.739 1.00 0.00 C ATOM 1171 O PRO A 991 11.717 6.641 -14.365 1.00 0.00 O ATOM 1172 CB PRO A 991 10.318 4.861 -15.933 1.00 0.00 C ATOM 1173 CG PRO A 991 9.344 5.888 -16.398 1.00 0.00 C ATOM 1174 CD PRO A 991 8.175 5.807 -15.455 1.00 0.00 C ATOM 0 HA PRO A 991 10.311 3.838 -13.975 1.00 0.00 H new ATOM 0 HB2 PRO A 991 11.338 5.128 -16.212 1.00 0.00 H new ATOM 0 HB3 PRO A 991 10.110 3.888 -16.378 1.00 0.00 H new ATOM 0 HG2 PRO A 991 9.789 6.883 -16.383 1.00 0.00 H new ATOM 0 HG3 PRO A 991 9.032 5.694 -17.424 1.00 0.00 H new ATOM 0 HD2 PRO A 991 7.711 6.782 -15.305 1.00 0.00 H new ATOM 0 HD3 PRO A 991 7.400 5.140 -15.832 1.00 0.00 H new ATOM 1182 N ILE A 992 11.437 5.472 -12.463 1.00 0.00 N ATOM 1183 CA ILE A 992 12.400 6.263 -11.706 1.00 0.00 C ATOM 1184 C ILE A 992 13.816 5.731 -11.893 1.00 0.00 C ATOM 1185 O ILE A 992 14.070 4.539 -11.723 1.00 0.00 O ATOM 1186 CB ILE A 992 12.061 6.276 -10.204 1.00 0.00 C ATOM 1187 CG1 ILE A 992 10.897 7.230 -9.929 1.00 0.00 C ATOM 1188 CG2 ILE A 992 13.283 6.674 -9.389 1.00 0.00 C ATOM 1189 CD1 ILE A 992 10.665 7.492 -8.457 1.00 0.00 C ATOM 0 H ILE A 992 10.996 4.722 -11.931 1.00 0.00 H new ATOM 0 HA ILE A 992 12.344 7.281 -12.091 1.00 0.00 H new ATOM 0 HB ILE A 992 11.760 5.272 -9.906 1.00 0.00 H new ATOM 0 HG12 ILE A 992 11.088 8.178 -10.433 1.00 0.00 H new ATOM 0 HG13 ILE A 992 9.988 6.815 -10.364 1.00 0.00 H new ATOM 0 HG21 ILE A 992 13.028 6.679 -8.329 1.00 0.00 H new ATOM 0 HG22 ILE A 992 14.087 5.959 -9.566 1.00 0.00 H new ATOM 0 HG23 ILE A 992 13.611 7.670 -9.688 1.00 0.00 H new ATOM 0 HD11 ILE A 992 9.825 8.176 -8.337 1.00 0.00 H new ATOM 0 HD12 ILE A 992 10.443 6.553 -7.951 1.00 0.00 H new ATOM 0 HD13 ILE A 992 11.560 7.936 -8.021 1.00 0.00 H new ATOM 1201 N GLY A 993 14.738 6.624 -12.241 1.00 0.00 N ATOM 1202 CA GLY A 993 16.118 6.225 -12.443 1.00 0.00 C ATOM 1203 C GLY A 993 16.266 5.172 -13.522 1.00 0.00 C ATOM 1204 O GLY A 993 16.380 5.496 -14.704 1.00 0.00 O ATOM 0 H GLY A 993 14.553 7.617 -12.386 1.00 0.00 H new ATOM 0 HA2 GLY A 993 16.710 7.100 -12.710 1.00 0.00 H new ATOM 0 HA3 GLY A 993 16.522 5.840 -11.507 1.00 0.00 H new ATOM 1208 N SER A 994 16.266 3.906 -13.116 1.00 0.00 N ATOM 1209 CA SER A 994 16.406 2.801 -14.057 1.00 0.00 C ATOM 1210 C SER A 994 15.338 1.740 -13.813 1.00 0.00 C ATOM 1211 O SER A 994 15.249 0.753 -14.543 1.00 0.00 O ATOM 1212 CB SER A 994 17.798 2.177 -13.940 1.00 0.00 C ATOM 1213 OG SER A 994 18.008 1.205 -14.949 1.00 0.00 O ATOM 0 H SER A 994 16.171 3.620 -12.141 1.00 0.00 H new ATOM 0 HA SER A 994 16.276 3.196 -15.065 1.00 0.00 H new ATOM 0 HB2 SER A 994 18.557 2.956 -14.018 1.00 0.00 H new ATOM 0 HB3 SER A 994 17.912 1.717 -12.958 1.00 0.00 H new ATOM 0 HG SER A 994 17.177 0.710 -15.104 1.00 0.00 H new ATOM 1219 N ARG A 995 14.530 1.951 -12.779 1.00 0.00 N ATOM 1220 CA ARG A 995 13.468 1.012 -12.436 1.00 0.00 C ATOM 1221 C ARG A 995 12.157 1.748 -12.170 1.00 0.00 C ATOM 1222 O ARG A 995 12.149 2.951 -11.911 1.00 0.00 O ATOM 1223 CB ARG A 995 13.862 0.191 -11.207 1.00 0.00 C ATOM 1224 CG ARG A 995 15.243 -0.436 -11.311 1.00 0.00 C ATOM 1225 CD ARG A 995 15.531 -1.347 -10.128 1.00 0.00 C ATOM 1226 NE ARG A 995 16.433 -2.439 -10.485 1.00 0.00 N ATOM 1227 CZ ARG A 995 16.765 -3.420 -9.653 1.00 0.00 C ATOM 1228 NH1 ARG A 995 16.271 -3.446 -8.423 1.00 0.00 N ATOM 1229 NH2 ARG A 995 17.592 -4.378 -10.051 1.00 0.00 N ATOM 0 H ARG A 995 14.590 2.763 -12.165 1.00 0.00 H new ATOM 0 HA ARG A 995 13.323 0.341 -13.282 1.00 0.00 H new ATOM 0 HB2 ARG A 995 13.829 0.832 -10.326 1.00 0.00 H new ATOM 0 HB3 ARG A 995 13.125 -0.597 -11.055 1.00 0.00 H new ATOM 0 HG2 ARG A 995 15.316 -1.006 -12.237 1.00 0.00 H new ATOM 0 HG3 ARG A 995 15.998 0.349 -11.359 1.00 0.00 H new ATOM 0 HD2 ARG A 995 15.971 -0.763 -9.319 1.00 0.00 H new ATOM 0 HD3 ARG A 995 14.595 -1.759 -9.751 1.00 0.00 H new ATOM 0 HE ARG A 995 16.830 -2.449 -11.425 1.00 0.00 H new ATOM 0 HH11 ARG A 995 15.634 -2.712 -8.113 1.00 0.00 H new ATOM 0 HH12 ARG A 995 16.528 -4.200 -7.786 1.00 0.00 H new ATOM 0 HH21 ARG A 995 17.974 -4.362 -10.997 1.00 0.00 H new ATOM 0 HH22 ARG A 995 17.846 -5.131 -9.411 1.00 0.00 H new ATOM 1243 N LYS A 996 11.050 1.016 -12.238 1.00 0.00 N ATOM 1244 CA LYS A 996 9.733 1.597 -12.005 1.00 0.00 C ATOM 1245 C LYS A 996 9.373 1.551 -10.523 1.00 0.00 C ATOM 1246 O LYS A 996 9.686 0.585 -9.828 1.00 0.00 O ATOM 1247 CB LYS A 996 8.674 0.853 -12.821 1.00 0.00 C ATOM 1248 CG LYS A 996 8.917 0.900 -14.320 1.00 0.00 C ATOM 1249 CD LYS A 996 8.255 -0.269 -15.029 1.00 0.00 C ATOM 1250 CE LYS A 996 6.781 0.001 -15.292 1.00 0.00 C ATOM 1251 NZ LYS A 996 6.585 1.118 -16.257 1.00 0.00 N ATOM 0 H LYS A 996 11.039 0.019 -12.453 1.00 0.00 H new ATOM 0 HA LYS A 996 9.761 2.640 -12.322 1.00 0.00 H new ATOM 0 HB2 LYS A 996 8.644 -0.188 -12.499 1.00 0.00 H new ATOM 0 HB3 LYS A 996 7.695 1.281 -12.607 1.00 0.00 H new ATOM 0 HG2 LYS A 996 8.531 1.837 -14.723 1.00 0.00 H new ATOM 0 HG3 LYS A 996 9.989 0.886 -14.516 1.00 0.00 H new ATOM 0 HD2 LYS A 996 8.765 -0.459 -15.973 1.00 0.00 H new ATOM 0 HD3 LYS A 996 8.359 -1.169 -14.423 1.00 0.00 H new ATOM 0 HE2 LYS A 996 6.310 -0.902 -15.681 1.00 0.00 H new ATOM 0 HE3 LYS A 996 6.283 0.241 -14.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 996 5.658 1.020 -16.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 996 6.626 2.025 -15.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 996 7.335 1.090 -16.977 1.00 0.00 H new ATOM 1265 N VAL A 997 8.712 2.601 -10.047 1.00 0.00 N ATOM 1266 CA VAL A 997 8.307 2.680 -8.649 1.00 0.00 C ATOM 1267 C VAL A 997 6.821 2.377 -8.489 1.00 0.00 C ATOM 1268 O VAL A 997 6.024 2.628 -9.393 1.00 0.00 O ATOM 1269 CB VAL A 997 8.603 4.070 -8.056 1.00 0.00 C ATOM 1270 CG1 VAL A 997 10.060 4.172 -7.635 1.00 0.00 C ATOM 1271 CG2 VAL A 997 8.250 5.161 -9.056 1.00 0.00 C ATOM 0 H VAL A 997 8.445 3.409 -10.609 1.00 0.00 H new ATOM 0 HA VAL A 997 8.888 1.932 -8.109 1.00 0.00 H new ATOM 0 HB VAL A 997 7.984 4.207 -7.169 1.00 0.00 H new ATOM 0 HG11 VAL A 997 10.250 5.161 -7.218 1.00 0.00 H new ATOM 0 HG12 VAL A 997 10.275 3.414 -6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 997 10.701 4.014 -8.502 1.00 0.00 H new ATOM 0 HG21 VAL A 997 8.465 6.137 -8.621 1.00 0.00 H new ATOM 0 HG22 VAL A 997 8.841 5.029 -9.962 1.00 0.00 H new ATOM 0 HG23 VAL A 997 7.190 5.100 -9.302 1.00 0.00 H new ATOM 1281 N LYS A 998 6.454 1.835 -7.333 1.00 0.00 N ATOM 1282 CA LYS A 998 5.064 1.498 -7.052 1.00 0.00 C ATOM 1283 C LYS A 998 4.515 2.357 -5.917 1.00 0.00 C ATOM 1284 O LYS A 998 5.099 2.422 -4.835 1.00 0.00 O ATOM 1285 CB LYS A 998 4.939 0.016 -6.690 1.00 0.00 C ATOM 1286 CG LYS A 998 3.570 -0.569 -6.987 1.00 0.00 C ATOM 1287 CD LYS A 998 2.633 -0.426 -5.799 1.00 0.00 C ATOM 1288 CE LYS A 998 2.723 -1.627 -4.870 1.00 0.00 C ATOM 1289 NZ LYS A 998 3.781 -1.452 -3.837 1.00 0.00 N ATOM 0 H LYS A 998 7.101 1.619 -6.575 1.00 0.00 H new ATOM 0 HA LYS A 998 4.480 1.696 -7.951 1.00 0.00 H new ATOM 0 HB2 LYS A 998 5.693 -0.548 -7.239 1.00 0.00 H new ATOM 0 HB3 LYS A 998 5.156 -0.110 -5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 998 3.139 -0.068 -7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 998 3.672 -1.623 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 998 2.879 0.481 -5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 998 1.608 -0.315 -6.154 1.00 0.00 H new ATOM 0 HE2 LYS A 998 1.761 -1.781 -4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 998 2.931 -2.523 -5.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 998 3.581 -2.072 -3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 998 4.706 -1.700 -4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 998 3.796 -0.462 -3.520 1.00 0.00 H new ATOM 1303 N LEU A 999 3.388 3.014 -6.171 1.00 0.00 N ATOM 1304 CA LEU A 999 2.759 3.868 -5.170 1.00 0.00 C ATOM 1305 C LEU A 999 1.446 3.262 -4.684 1.00 0.00 C ATOM 1306 O LEU A 999 0.619 2.825 -5.484 1.00 0.00 O ATOM 1307 CB LEU A 999 2.508 5.263 -5.746 1.00 0.00 C ATOM 1308 CG LEU A 999 3.750 6.049 -6.166 1.00 0.00 C ATOM 1309 CD1 LEU A 999 3.360 7.252 -7.010 1.00 0.00 C ATOM 1310 CD2 LEU A 999 4.542 6.488 -4.943 1.00 0.00 C ATOM 0 H LEU A 999 2.892 2.971 -7.061 1.00 0.00 H new ATOM 0 HA LEU A 999 3.437 3.949 -4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 999 1.855 5.164 -6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 999 1.966 5.849 -5.004 1.00 0.00 H new ATOM 0 HG LEU A 999 4.382 5.397 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 999 4.257 7.799 -7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 999 2.836 6.915 -7.904 1.00 0.00 H new ATOM 0 HD13 LEU A 999 2.707 7.906 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 999 5.423 7.046 -5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 999 3.918 7.123 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 999 4.854 5.610 -4.377 1.00 0.00 H new ATOM 1322 N VAL A1000 1.260 3.241 -3.368 1.00 0.00 N ATOM 1323 CA VAL A1000 0.046 2.692 -2.776 1.00 0.00 C ATOM 1324 C VAL A1000 -0.607 3.695 -1.832 1.00 0.00 C ATOM 1325 O VAL A1000 0.073 4.512 -1.209 1.00 0.00 O ATOM 1326 CB VAL A1000 0.337 1.391 -2.005 1.00 0.00 C ATOM 1327 CG1 VAL A1000 -0.945 0.817 -1.421 1.00 0.00 C ATOM 1328 CG2 VAL A1000 1.021 0.377 -2.909 1.00 0.00 C ATOM 0 H VAL A1000 1.935 3.598 -2.692 1.00 0.00 H new ATOM 0 HA VAL A1000 -0.637 2.474 -3.597 1.00 0.00 H new ATOM 0 HB VAL A1000 1.012 1.622 -1.181 1.00 0.00 H new ATOM 0 HG11 VAL A1000 -0.719 -0.102 -0.880 1.00 0.00 H new ATOM 0 HG12 VAL A1000 -1.389 1.541 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL A1000 -1.647 0.600 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A1000 1.219 -0.536 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A1000 0.373 0.149 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A1000 1.962 0.790 -3.273 1.00 0.00 H new ATOM 1338 N LEU A1001 -1.929 3.627 -1.728 1.00 0.00 N ATOM 1339 CA LEU A1001 -2.676 4.529 -0.858 1.00 0.00 C ATOM 1340 C LEU A1001 -2.779 3.962 0.554 1.00 0.00 C ATOM 1341 O LEU A1001 -3.299 2.866 0.758 1.00 0.00 O ATOM 1342 CB LEU A1001 -4.075 4.774 -1.425 1.00 0.00 C ATOM 1343 CG LEU A1001 -4.197 5.906 -2.446 1.00 0.00 C ATOM 1344 CD1 LEU A1001 -5.492 5.777 -3.234 1.00 0.00 C ATOM 1345 CD2 LEU A1001 -4.125 7.259 -1.753 1.00 0.00 C ATOM 0 H LEU A1001 -2.506 2.957 -2.235 1.00 0.00 H new ATOM 0 HA LEU A1001 -2.139 5.476 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A1001 -4.423 3.852 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A1001 -4.749 4.986 -0.595 1.00 0.00 H new ATOM 0 HG LEU A1001 -3.362 5.832 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A1001 -5.561 6.591 -3.956 1.00 0.00 H new ATOM 0 HD12 LEU A1001 -5.504 4.823 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A1001 -6.340 5.824 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU A1001 -4.213 8.053 -2.495 1.00 0.00 H new ATOM 0 HD22 LEU A1001 -4.939 7.343 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A1001 -3.171 7.352 -1.234 1.00 0.00 H new ATOM 1357 N GLY A1002 -2.281 4.719 1.528 1.00 0.00 N ATOM 1358 CA GLY A1002 -2.329 4.276 2.909 1.00 0.00 C ATOM 1359 C GLY A1002 -3.745 4.206 3.447 1.00 0.00 C ATOM 1360 O GLY A1002 -4.231 3.130 3.794 1.00 0.00 O ATOM 0 H GLY A1002 -1.846 5.630 1.385 1.00 0.00 H new ATOM 0 HA2 GLY A1002 -1.865 3.293 2.988 1.00 0.00 H new ATOM 0 HA3 GLY A1002 -1.742 4.956 3.526 1.00 0.00 H new