USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 613 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 926 THR OG1 : rot -110:sc= 0 USER MOD Single : A 929 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 931 GLN :FLIP amide:sc= -1.96! C(o=-2.5!,f=-2!) USER MOD Single : A 932 ASN : amide:sc= 0.113 X(o=0.11,f=-0.3) USER MOD Single : A 933 MET CE :methyl -176:sc= -2.1 (180deg=-2.17) 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 USER MOD Single : A 950 GLN : amide:sc=-0.000707 X(o=-0.00071,f=-0.00071) USER MOD Single : A 955 SER OG : rot -97:sc= -0.368 USER MOD Single : A 957 CYS SG : rot 68:sc= 0.205 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= -1.57 K(o=-1.6,f=-15!) USER MOD Single : A 963 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 965 MET CE :methyl -155:sc= 0 (180deg=-0.869) USER MOD Single : A 967 THR OG1 : rot 180:sc= 0 USER MOD Single : A 971 MET CE :methyl -163:sc= 0 (180deg=-0.329) USER MOD Single : A 976 SER OG : rot -166:sc= 0.00108 USER MOD Single : A 981 THR OG1 : rot 180:sc= 0 USER MOD Single : A 988 ASN : amide:sc= 0 X(o=0,f=-0.0074) 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+ -165:sc= -0.0272 (180deg=-0.278) USER MOD ----------------------------------------------------------------- ATOM 148 N PRO A 925 -3.441 13.077 7.973 1.00 0.00 N ATOM 149 CA PRO A 925 -3.139 13.153 6.540 1.00 0.00 C ATOM 150 C PRO A 925 -3.061 11.775 5.891 1.00 0.00 C ATOM 151 O PRO A 925 -3.118 10.751 6.573 1.00 0.00 O ATOM 152 CB PRO A 925 -1.772 13.841 6.502 1.00 0.00 C ATOM 153 CG PRO A 925 -1.155 13.531 7.822 1.00 0.00 C ATOM 154 CD PRO A 925 -2.291 13.467 8.805 1.00 0.00 C ATOM 0 HA PRO A 925 -3.914 13.684 5.987 1.00 0.00 H new ATOM 0 HB2 PRO A 925 -1.162 13.464 5.681 1.00 0.00 H new ATOM 0 HB3 PRO A 925 -1.874 14.916 6.355 1.00 0.00 H new ATOM 0 HG2 PRO A 925 -0.615 12.585 7.788 1.00 0.00 H new ATOM 0 HG3 PRO A 925 -0.435 14.299 8.106 1.00 0.00 H new ATOM 0 HD2 PRO A 925 -2.100 12.739 9.593 1.00 0.00 H new ATOM 0 HD3 PRO A 925 -2.455 14.428 9.292 1.00 0.00 H new ATOM 162 N THR A 926 -2.928 11.756 4.568 1.00 0.00 N ATOM 163 CA THR A 926 -2.843 10.505 3.827 1.00 0.00 C ATOM 164 C THR A 926 -1.392 10.078 3.634 1.00 0.00 C ATOM 165 O THR A 926 -0.571 10.846 3.131 1.00 0.00 O ATOM 166 CB THR A 926 -3.519 10.621 2.448 1.00 0.00 C ATOM 167 OG1 THR A 926 -4.827 11.186 2.590 1.00 0.00 O ATOM 168 CG2 THR A 926 -3.620 9.259 1.778 1.00 0.00 C ATOM 0 H THR A 926 -2.877 12.594 3.988 1.00 0.00 H new ATOM 0 HA THR A 926 -3.366 9.752 4.417 1.00 0.00 H new ATOM 0 HB THR A 926 -2.908 11.272 1.822 1.00 0.00 H new ATOM 0 HG1 THR A 926 -5.502 10.500 2.405 1.00 0.00 H new ATOM 0 HG21 THR A 926 -4.101 9.367 0.806 1.00 0.00 H new ATOM 0 HG22 THR A 926 -2.621 8.844 1.645 1.00 0.00 H new ATOM 0 HG23 THR A 926 -4.211 8.589 2.403 1.00 0.00 H new ATOM 176 N ILE A 927 -1.082 8.850 4.036 1.00 0.00 N ATOM 177 CA ILE A 927 0.270 8.322 3.905 1.00 0.00 C ATOM 178 C ILE A 927 0.405 7.461 2.653 1.00 0.00 C ATOM 179 O ILE A 927 -0.405 6.565 2.413 1.00 0.00 O ATOM 180 CB ILE A 927 0.669 7.485 5.135 1.00 0.00 C ATOM 181 CG1 ILE A 927 0.592 8.336 6.404 1.00 0.00 C ATOM 182 CG2 ILE A 927 2.068 6.915 4.956 1.00 0.00 C ATOM 183 CD1 ILE A 927 1.577 9.484 6.422 1.00 0.00 C ATOM 0 H ILE A 927 -1.749 8.202 4.455 1.00 0.00 H new ATOM 0 HA ILE A 927 0.938 9.180 3.827 1.00 0.00 H new ATOM 0 HB ILE A 927 -0.030 6.655 5.234 1.00 0.00 H new ATOM 0 HG12 ILE A 927 -0.418 8.733 6.505 1.00 0.00 H new ATOM 0 HG13 ILE A 927 0.772 7.699 7.270 1.00 0.00 H new ATOM 0 HG21 ILE A 927 2.336 6.326 5.833 1.00 0.00 H new ATOM 0 HG22 ILE A 927 2.091 6.279 4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 927 2.781 7.731 4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 927 1.466 10.044 7.351 1.00 0.00 H new ATOM 0 HD12 ILE A 927 2.592 9.093 6.353 1.00 0.00 H new ATOM 0 HD13 ILE A 927 1.383 10.143 5.576 1.00 0.00 H new ATOM 195 N ILE A 928 1.434 7.739 1.860 1.00 0.00 N ATOM 196 CA ILE A 928 1.677 6.988 0.634 1.00 0.00 C ATOM 197 C ILE A 928 2.843 6.020 0.804 1.00 0.00 C ATOM 198 O ILE A 928 3.789 6.294 1.543 1.00 0.00 O ATOM 199 CB ILE A 928 1.972 7.926 -0.552 1.00 0.00 C ATOM 200 CG1 ILE A 928 0.800 8.884 -0.776 1.00 0.00 C ATOM 201 CG2 ILE A 928 2.250 7.118 -1.810 1.00 0.00 C ATOM 202 CD1 ILE A 928 0.986 9.798 -1.966 1.00 0.00 C ATOM 0 H ILE A 928 2.112 8.478 2.044 1.00 0.00 H new ATOM 0 HA ILE A 928 0.768 6.425 0.424 1.00 0.00 H new ATOM 0 HB ILE A 928 2.859 8.515 -0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 928 -0.112 8.303 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 928 0.660 9.490 0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 928 2.457 7.795 -2.639 1.00 0.00 H new ATOM 0 HG22 ILE A 928 3.113 6.473 -1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 928 1.380 6.506 -2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 928 0.117 10.449 -2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 928 1.880 10.405 -1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 928 1.095 9.200 -2.871 1.00 0.00 H new ATOM 214 N LYS A 929 2.770 4.887 0.114 1.00 0.00 N ATOM 215 CA LYS A 929 3.821 3.879 0.185 1.00 0.00 C ATOM 216 C LYS A 929 4.545 3.752 -1.152 1.00 0.00 C ATOM 217 O LYS A 929 3.916 3.576 -2.196 1.00 0.00 O ATOM 218 CB LYS A 929 3.230 2.525 0.587 1.00 0.00 C ATOM 219 CG LYS A 929 3.202 2.296 2.088 1.00 0.00 C ATOM 220 CD LYS A 929 4.479 1.630 2.574 1.00 0.00 C ATOM 221 CE LYS A 929 4.466 0.134 2.300 1.00 0.00 C ATOM 222 NZ LYS A 929 3.873 -0.632 3.431 1.00 0.00 N ATOM 0 H LYS A 929 1.994 4.644 -0.501 1.00 0.00 H new ATOM 0 HA LYS A 929 4.542 4.194 0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 929 2.215 2.451 0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 929 3.810 1.731 0.117 1.00 0.00 H new ATOM 0 HG2 LYS A 929 3.070 3.249 2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 929 2.345 1.674 2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 929 5.338 2.084 2.080 1.00 0.00 H new ATOM 0 HD3 LYS A 929 4.597 1.804 3.643 1.00 0.00 H new ATOM 0 HE2 LYS A 929 3.899 -0.064 1.391 1.00 0.00 H new ATOM 0 HE3 LYS A 929 5.484 -0.211 2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 3.882 -1.647 3.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 4.429 -0.464 4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 2.893 -0.321 3.585 1.00 0.00 H new ATOM 236 N VAL A 930 5.870 3.842 -1.113 1.00 0.00 N ATOM 237 CA VAL A 930 6.680 3.735 -2.321 1.00 0.00 C ATOM 238 C VAL A 930 7.590 2.513 -2.266 1.00 0.00 C ATOM 239 O VAL A 930 8.300 2.301 -1.284 1.00 0.00 O ATOM 240 CB VAL A 930 7.542 4.994 -2.532 1.00 0.00 C ATOM 241 CG1 VAL A 930 8.184 4.976 -3.910 1.00 0.00 C ATOM 242 CG2 VAL A 930 6.706 6.250 -2.340 1.00 0.00 C ATOM 0 H VAL A 930 6.406 3.989 -0.258 1.00 0.00 H new ATOM 0 HA VAL A 930 5.989 3.632 -3.158 1.00 0.00 H new ATOM 0 HB VAL A 930 8.338 4.998 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 930 8.789 5.873 -4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 930 8.817 4.094 -4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 930 7.406 4.948 -4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 930 7.331 7.130 -2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 930 5.888 6.256 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 930 6.299 6.265 -1.329 1.00 0.00 H new ATOM 252 N GLN A 931 7.562 1.714 -3.327 1.00 0.00 N ATOM 253 CA GLN A 931 8.384 0.512 -3.400 1.00 0.00 C ATOM 254 C GLN A 931 9.037 0.381 -4.772 1.00 0.00 C ATOM 255 O GLN A 931 8.682 1.094 -5.709 1.00 0.00 O ATOM 256 CB GLN A 931 7.540 -0.728 -3.103 1.00 0.00 C ATOM 257 CG GLN A 931 8.248 -1.753 -2.231 1.00 0.00 C ATOM 258 CD GLN A 931 9.112 -2.705 -3.035 1.00 0.00 C ATOM 259 OE1 GLN A 931 10.390 -2.786 -2.683 1.00 0.00 O flip ATOM 260 NE2 GLN A 931 8.636 -3.361 -3.962 1.00 0.00 N flip ATOM 0 H GLN A 931 6.979 1.877 -4.148 1.00 0.00 H new ATOM 0 HA GLN A 931 9.171 0.595 -2.650 1.00 0.00 H new ATOM 0 HB2 GLN A 931 6.618 -0.420 -2.611 1.00 0.00 H new ATOM 0 HB3 GLN A 931 7.257 -1.198 -4.045 1.00 0.00 H new ATOM 0 HG2 GLN A 931 8.868 -1.236 -1.499 1.00 0.00 H new ATOM 0 HG3 GLN A 931 7.506 -2.324 -1.673 1.00 0.00 H new ATOM 0 HE21 GLN A 931 7.648 -3.268 -4.198 1.00 0.00 H new ATOM 0 HE22 GLN A 931 9.230 -3.998 -4.494 1.00 0.00 H new ATOM 269 N ASN A 932 9.994 -0.535 -4.881 1.00 0.00 N ATOM 270 CA ASN A 932 10.697 -0.759 -6.139 1.00 0.00 C ATOM 271 C ASN A 932 11.560 0.446 -6.502 1.00 0.00 C ATOM 272 O ASN A 932 11.541 0.916 -7.639 1.00 0.00 O ATOM 273 CB ASN A 932 9.698 -1.042 -7.263 1.00 0.00 C ATOM 274 CG ASN A 932 10.286 -1.917 -8.353 1.00 0.00 C ATOM 275 OD1 ASN A 932 9.872 -3.061 -8.537 1.00 0.00 O ATOM 276 ND2 ASN A 932 11.258 -1.381 -9.082 1.00 0.00 N ATOM 0 H ASN A 932 10.300 -1.134 -4.114 1.00 0.00 H new ATOM 0 HA ASN A 932 11.347 -1.625 -6.014 1.00 0.00 H new ATOM 0 HB2 ASN A 932 8.816 -1.528 -6.847 1.00 0.00 H new ATOM 0 HB3 ASN A 932 9.367 -0.099 -7.697 1.00 0.00 H new ATOM 0 HD21 ASN A 932 11.693 -1.922 -9.830 1.00 0.00 H new ATOM 0 HD22 ASN A 932 11.570 -0.428 -8.894 1.00 0.00 H new ATOM 283 N MET A 933 12.316 0.941 -5.527 1.00 0.00 N ATOM 284 CA MET A 933 13.187 2.090 -5.744 1.00 0.00 C ATOM 285 C MET A 933 14.654 1.691 -5.621 1.00 0.00 C ATOM 286 O MET A 933 15.087 1.131 -4.614 1.00 0.00 O ATOM 287 CB MET A 933 12.862 3.200 -4.742 1.00 0.00 C ATOM 288 CG MET A 933 11.774 4.149 -5.218 1.00 0.00 C ATOM 289 SD MET A 933 11.718 5.676 -4.261 1.00 0.00 S ATOM 290 CE MET A 933 12.015 5.052 -2.609 1.00 0.00 C ATOM 0 H MET A 933 12.343 0.564 -4.579 1.00 0.00 H new ATOM 0 HA MET A 933 13.013 2.460 -6.754 1.00 0.00 H new ATOM 0 HB2 MET A 933 12.552 2.748 -3.800 1.00 0.00 H new ATOM 0 HB3 MET A 933 13.768 3.771 -4.539 1.00 0.00 H new ATOM 0 HG2 MET A 933 11.940 4.389 -6.268 1.00 0.00 H new ATOM 0 HG3 MET A 933 10.808 3.649 -5.154 1.00 0.00 H new ATOM 0 HE1 MET A 933 11.939 5.870 -1.892 1.00 0.00 H new ATOM 0 HE2 MET A 933 11.274 4.290 -2.369 1.00 0.00 H new ATOM 0 HE3 MET A 933 13.013 4.616 -2.559 1.00 0.00 H new ATOM 300 N PRO A 934 15.438 1.985 -6.669 1.00 0.00 N ATOM 301 CA PRO A 934 16.868 1.665 -6.702 1.00 0.00 C ATOM 302 C PRO A 934 17.676 2.522 -5.732 1.00 0.00 C ATOM 303 O PRO A 934 17.248 3.610 -5.345 1.00 0.00 O ATOM 304 CB PRO A 934 17.268 1.973 -8.147 1.00 0.00 C ATOM 305 CG PRO A 934 16.275 2.984 -8.607 1.00 0.00 C ATOM 306 CD PRO A 934 14.989 2.652 -7.903 1.00 0.00 C ATOM 0 HA PRO A 934 17.062 0.635 -6.402 1.00 0.00 H new ATOM 0 HB2 PRO A 934 18.284 2.363 -8.202 1.00 0.00 H new ATOM 0 HB3 PRO A 934 17.236 1.077 -8.766 1.00 0.00 H new ATOM 0 HG2 PRO A 934 16.604 3.994 -8.362 1.00 0.00 H new ATOM 0 HG3 PRO A 934 16.149 2.943 -9.689 1.00 0.00 H new ATOM 0 HD2 PRO A 934 14.407 3.548 -7.687 1.00 0.00 H new ATOM 0 HD3 PRO A 934 14.358 1.999 -8.506 1.00 0.00 H new ATOM 314 N PHE A 935 18.846 2.025 -5.344 1.00 0.00 N ATOM 315 CA PHE A 935 19.713 2.745 -4.419 1.00 0.00 C ATOM 316 C PHE A 935 19.993 4.158 -4.924 1.00 0.00 C ATOM 317 O PHE A 935 20.099 5.101 -4.139 1.00 0.00 O ATOM 318 CB PHE A 935 21.029 1.989 -4.228 1.00 0.00 C ATOM 319 CG PHE A 935 20.851 0.507 -4.065 1.00 0.00 C ATOM 320 CD1 PHE A 935 20.229 -0.011 -2.941 1.00 0.00 C ATOM 321 CD2 PHE A 935 21.306 -0.370 -5.037 1.00 0.00 C ATOM 322 CE1 PHE A 935 20.064 -1.374 -2.788 1.00 0.00 C ATOM 323 CE2 PHE A 935 21.144 -1.735 -4.891 1.00 0.00 C ATOM 324 CZ PHE A 935 20.521 -2.237 -3.765 1.00 0.00 C ATOM 0 H PHE A 935 19.215 1.127 -5.656 1.00 0.00 H new ATOM 0 HA PHE A 935 19.200 2.816 -3.460 1.00 0.00 H new ATOM 0 HB2 PHE A 935 21.675 2.177 -5.086 1.00 0.00 H new ATOM 0 HB3 PHE A 935 21.542 2.384 -3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 935 19.868 0.659 -2.175 1.00 0.00 H new ATOM 0 HD2 PHE A 935 21.793 0.018 -5.919 1.00 0.00 H new ATOM 0 HE1 PHE A 935 19.578 -1.764 -1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 935 21.504 -2.408 -5.656 1.00 0.00 H new ATOM 0 HZ PHE A 935 20.391 -3.303 -3.649 1.00 0.00 H new ATOM 334 N THR A 936 20.113 4.296 -6.241 1.00 0.00 N ATOM 335 CA THR A 936 20.383 5.591 -6.851 1.00 0.00 C ATOM 336 C THR A 936 19.385 6.641 -6.377 1.00 0.00 C ATOM 337 O THR A 936 19.679 7.837 -6.377 1.00 0.00 O ATOM 338 CB THR A 936 20.332 5.509 -8.389 1.00 0.00 C ATOM 339 OG1 THR A 936 19.058 5.012 -8.811 1.00 0.00 O ATOM 340 CG2 THR A 936 21.435 4.606 -8.919 1.00 0.00 C ATOM 0 H THR A 936 20.027 3.526 -6.905 1.00 0.00 H new ATOM 0 HA THR A 936 21.387 5.882 -6.543 1.00 0.00 H new ATOM 0 HB THR A 936 20.481 6.512 -8.790 1.00 0.00 H new ATOM 0 HG1 THR A 936 19.033 4.965 -9.790 1.00 0.00 H new ATOM 0 HG21 THR A 936 21.379 4.563 -10.007 1.00 0.00 H new ATOM 0 HG22 THR A 936 22.405 5.003 -8.621 1.00 0.00 H new ATOM 0 HG23 THR A 936 21.312 3.603 -8.510 1.00 0.00 H new ATOM 348 N VAL A 937 18.203 6.188 -5.972 1.00 0.00 N ATOM 349 CA VAL A 937 17.162 7.088 -5.493 1.00 0.00 C ATOM 350 C VAL A 937 17.654 7.920 -4.313 1.00 0.00 C ATOM 351 O VAL A 937 18.386 7.426 -3.456 1.00 0.00 O ATOM 352 CB VAL A 937 15.900 6.313 -5.069 1.00 0.00 C ATOM 353 CG1 VAL A 937 14.894 7.247 -4.413 1.00 0.00 C ATOM 354 CG2 VAL A 937 15.282 5.607 -6.267 1.00 0.00 C ATOM 0 H VAL A 937 17.943 5.202 -5.966 1.00 0.00 H new ATOM 0 HA VAL A 937 16.911 7.750 -6.322 1.00 0.00 H new ATOM 0 HB VAL A 937 16.187 5.557 -4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 937 14.009 6.681 -4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 937 15.342 7.702 -3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 937 14.609 8.028 -5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 937 14.391 5.064 -5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 937 15.008 6.344 -7.022 1.00 0.00 H new ATOM 0 HG23 VAL A 937 16.003 4.906 -6.688 1.00 0.00 H new ATOM 364 N SER A 938 17.246 9.184 -4.277 1.00 0.00 N ATOM 365 CA SER A 938 17.648 10.086 -3.204 1.00 0.00 C ATOM 366 C SER A 938 16.513 11.038 -2.840 1.00 0.00 C ATOM 367 O SER A 938 15.469 11.055 -3.493 1.00 0.00 O ATOM 368 CB SER A 938 18.886 10.885 -3.617 1.00 0.00 C ATOM 369 OG SER A 938 19.986 10.028 -3.867 1.00 0.00 O ATOM 0 H SER A 938 16.638 9.607 -4.978 1.00 0.00 H new ATOM 0 HA SER A 938 17.889 9.483 -2.328 1.00 0.00 H new ATOM 0 HB2 SER A 938 18.665 11.468 -4.511 1.00 0.00 H new ATOM 0 HB3 SER A 938 19.145 11.594 -2.830 1.00 0.00 H new ATOM 0 HG SER A 938 20.764 10.563 -4.131 1.00 0.00 H new ATOM 375 N ILE A 939 16.724 11.828 -1.792 1.00 0.00 N ATOM 376 CA ILE A 939 15.720 12.783 -1.342 1.00 0.00 C ATOM 377 C ILE A 939 15.364 13.770 -2.448 1.00 0.00 C ATOM 378 O ILE A 939 14.194 14.097 -2.650 1.00 0.00 O ATOM 379 CB ILE A 939 16.202 13.566 -0.106 1.00 0.00 C ATOM 380 CG1 ILE A 939 16.371 12.624 1.088 1.00 0.00 C ATOM 381 CG2 ILE A 939 15.224 14.683 0.228 1.00 0.00 C ATOM 382 CD1 ILE A 939 17.258 13.183 2.178 1.00 0.00 C ATOM 0 H ILE A 939 17.581 11.825 -1.239 1.00 0.00 H new ATOM 0 HA ILE A 939 14.834 12.207 -1.075 1.00 0.00 H new ATOM 0 HB ILE A 939 17.170 14.013 -0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 939 15.390 12.402 1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 939 16.789 11.680 0.739 1.00 0.00 H new ATOM 0 HG21 ILE A 939 15.578 15.227 1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 939 15.149 15.366 -0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 939 14.243 14.257 0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 939 17.332 12.462 2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 939 18.251 13.378 1.774 1.00 0.00 H new ATOM 0 HD13 ILE A 939 16.830 14.112 2.554 1.00 0.00 H new ATOM 394 N ASP A 940 16.380 14.240 -3.163 1.00 0.00 N ATOM 395 CA ASP A 940 16.175 15.188 -4.252 1.00 0.00 C ATOM 396 C ASP A 940 15.337 14.565 -5.364 1.00 0.00 C ATOM 397 O ASP A 940 14.412 15.190 -5.881 1.00 0.00 O ATOM 398 CB ASP A 940 17.520 15.656 -4.810 1.00 0.00 C ATOM 399 CG ASP A 940 17.456 17.060 -5.376 1.00 0.00 C ATOM 400 OD1 ASP A 940 17.471 18.022 -4.579 1.00 0.00 O ATOM 401 OD2 ASP A 940 17.389 17.199 -6.616 1.00 0.00 O ATOM 0 H ASP A 940 17.354 13.980 -3.008 1.00 0.00 H new ATOM 0 HA ASP A 940 15.637 16.049 -3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 940 18.270 15.620 -4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 940 17.846 14.968 -5.590 1.00 0.00 H new ATOM 406 N GLU A 941 15.670 13.330 -5.728 1.00 0.00 N ATOM 407 CA GLU A 941 14.949 12.625 -6.780 1.00 0.00 C ATOM 408 C GLU A 941 13.486 12.424 -6.397 1.00 0.00 C ATOM 409 O GLU A 941 12.586 12.628 -7.213 1.00 0.00 O ATOM 410 CB GLU A 941 15.605 11.270 -7.059 1.00 0.00 C ATOM 411 CG GLU A 941 16.898 11.372 -7.849 1.00 0.00 C ATOM 412 CD GLU A 941 17.309 10.049 -8.468 1.00 0.00 C ATOM 413 OE1 GLU A 941 17.947 9.239 -7.763 1.00 0.00 O ATOM 414 OE2 GLU A 941 16.994 9.825 -9.655 1.00 0.00 O ATOM 0 H GLU A 941 16.434 12.798 -5.310 1.00 0.00 H new ATOM 0 HA GLU A 941 14.990 13.234 -7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 941 15.807 10.771 -6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 941 14.903 10.642 -7.607 1.00 0.00 H new ATOM 0 HG2 GLU A 941 16.781 12.117 -8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 941 17.694 11.725 -7.193 1.00 0.00 H new ATOM 421 N ILE A 942 13.256 12.022 -5.152 1.00 0.00 N ATOM 422 CA ILE A 942 11.903 11.794 -4.660 1.00 0.00 C ATOM 423 C ILE A 942 11.091 13.085 -4.668 1.00 0.00 C ATOM 424 O ILE A 942 9.969 13.123 -5.176 1.00 0.00 O ATOM 425 CB ILE A 942 11.912 11.215 -3.233 1.00 0.00 C ATOM 426 CG1 ILE A 942 12.543 9.821 -3.229 1.00 0.00 C ATOM 427 CG2 ILE A 942 10.499 11.164 -2.673 1.00 0.00 C ATOM 428 CD1 ILE A 942 13.215 9.466 -1.921 1.00 0.00 C ATOM 0 H ILE A 942 13.989 11.847 -4.465 1.00 0.00 H new ATOM 0 HA ILE A 942 11.440 11.072 -5.333 1.00 0.00 H new ATOM 0 HB ILE A 942 12.511 11.866 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 942 11.772 9.081 -3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 942 13.276 9.761 -4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 942 10.522 10.752 -1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 942 10.082 12.171 -2.645 1.00 0.00 H new ATOM 0 HG23 ILE A 942 9.878 10.532 -3.308 1.00 0.00 H new ATOM 0 HD11 ILE A 942 13.640 8.465 -1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 942 14.009 10.184 -1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 942 12.481 9.494 -1.116 1.00 0.00 H new ATOM 440 N LEU A 943 11.664 14.141 -4.102 1.00 0.00 N ATOM 441 CA LEU A 943 10.995 15.436 -4.045 1.00 0.00 C ATOM 442 C LEU A 943 10.630 15.923 -5.444 1.00 0.00 C ATOM 443 O LEU A 943 9.541 16.455 -5.663 1.00 0.00 O ATOM 444 CB LEU A 943 11.890 16.465 -3.352 1.00 0.00 C ATOM 445 CG LEU A 943 11.753 16.558 -1.832 1.00 0.00 C ATOM 446 CD1 LEU A 943 12.756 17.550 -1.265 1.00 0.00 C ATOM 447 CD2 LEU A 943 10.334 16.952 -1.447 1.00 0.00 C ATOM 0 H LEU A 943 12.591 14.126 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 943 10.076 15.317 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 943 12.928 16.233 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 943 11.678 17.446 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 943 11.964 15.577 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 943 12.643 17.603 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 943 13.767 17.225 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 943 12.577 18.535 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 943 10.255 17.013 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 943 10.094 17.922 -1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 943 9.635 16.204 -1.820 1.00 0.00 H new ATOM 459 N ASP A 944 11.547 15.736 -6.387 1.00 0.00 N ATOM 460 CA ASP A 944 11.321 16.153 -7.766 1.00 0.00 C ATOM 461 C ASP A 944 10.301 15.246 -8.448 1.00 0.00 C ATOM 462 O ASP A 944 9.548 15.685 -9.318 1.00 0.00 O ATOM 463 CB ASP A 944 12.636 16.140 -8.547 1.00 0.00 C ATOM 464 CG ASP A 944 12.586 17.024 -9.779 1.00 0.00 C ATOM 465 OD1 ASP A 944 12.008 18.127 -9.695 1.00 0.00 O ATOM 466 OD2 ASP A 944 13.127 16.612 -10.826 1.00 0.00 O ATOM 0 H ASP A 944 12.453 15.299 -6.222 1.00 0.00 H new ATOM 0 HA ASP A 944 10.925 17.169 -7.752 1.00 0.00 H new ATOM 0 HB2 ASP A 944 13.445 16.473 -7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 944 12.868 15.118 -8.846 1.00 0.00 H new ATOM 471 N PHE A 945 10.283 13.979 -8.049 1.00 0.00 N ATOM 472 CA PHE A 945 9.358 13.009 -8.622 1.00 0.00 C ATOM 473 C PHE A 945 7.913 13.376 -8.295 1.00 0.00 C ATOM 474 O PHE A 945 7.010 13.175 -9.107 1.00 0.00 O ATOM 475 CB PHE A 945 9.670 11.605 -8.102 1.00 0.00 C ATOM 476 CG PHE A 945 8.649 10.577 -8.500 1.00 0.00 C ATOM 477 CD1 PHE A 945 7.402 10.550 -7.897 1.00 0.00 C ATOM 478 CD2 PHE A 945 8.936 9.639 -9.479 1.00 0.00 C ATOM 479 CE1 PHE A 945 6.461 9.605 -8.262 1.00 0.00 C ATOM 480 CE2 PHE A 945 8.000 8.692 -9.848 1.00 0.00 C ATOM 481 CZ PHE A 945 6.760 8.676 -9.239 1.00 0.00 C ATOM 0 H PHE A 945 10.899 13.600 -7.330 1.00 0.00 H new ATOM 0 HA PHE A 945 9.482 13.023 -9.705 1.00 0.00 H new ATOM 0 HB2 PHE A 945 10.647 11.297 -8.474 1.00 0.00 H new ATOM 0 HB3 PHE A 945 9.738 11.636 -7.015 1.00 0.00 H new ATOM 0 HD1 PHE A 945 7.162 11.275 -7.133 1.00 0.00 H new ATOM 0 HD2 PHE A 945 9.903 9.648 -9.959 1.00 0.00 H new ATOM 0 HE1 PHE A 945 5.493 9.593 -7.783 1.00 0.00 H new ATOM 0 HE2 PHE A 945 8.237 7.966 -10.611 1.00 0.00 H new ATOM 0 HZ PHE A 945 6.026 7.938 -9.527 1.00 0.00 H new ATOM 491 N PHE A 946 7.703 13.916 -7.098 1.00 0.00 N ATOM 492 CA PHE A 946 6.369 14.310 -6.661 1.00 0.00 C ATOM 493 C PHE A 946 6.122 15.790 -6.936 1.00 0.00 C ATOM 494 O PHE A 946 5.209 16.393 -6.371 1.00 0.00 O ATOM 495 CB PHE A 946 6.192 14.020 -5.169 1.00 0.00 C ATOM 496 CG PHE A 946 6.009 12.561 -4.859 1.00 0.00 C ATOM 497 CD1 PHE A 946 4.751 11.983 -4.899 1.00 0.00 C ATOM 498 CD2 PHE A 946 7.096 11.769 -4.527 1.00 0.00 C ATOM 499 CE1 PHE A 946 4.579 10.641 -4.615 1.00 0.00 C ATOM 500 CE2 PHE A 946 6.931 10.427 -4.243 1.00 0.00 C ATOM 501 CZ PHE A 946 5.671 9.862 -4.285 1.00 0.00 C ATOM 0 H PHE A 946 8.440 14.090 -6.414 1.00 0.00 H new ATOM 0 HA PHE A 946 5.641 13.727 -7.226 1.00 0.00 H new ATOM 0 HB2 PHE A 946 7.063 14.391 -4.629 1.00 0.00 H new ATOM 0 HB3 PHE A 946 5.328 14.573 -4.800 1.00 0.00 H new ATOM 0 HD1 PHE A 946 3.894 12.588 -5.155 1.00 0.00 H new ATOM 0 HD2 PHE A 946 8.083 12.205 -4.490 1.00 0.00 H new ATOM 0 HE1 PHE A 946 3.593 10.202 -4.651 1.00 0.00 H new ATOM 0 HE2 PHE A 946 7.787 9.820 -3.988 1.00 0.00 H new ATOM 0 HZ PHE A 946 5.540 8.814 -4.060 1.00 0.00 H new ATOM 511 N TYR A 947 6.941 16.369 -7.806 1.00 0.00 N ATOM 512 CA TYR A 947 6.814 17.779 -8.155 1.00 0.00 C ATOM 513 C TYR A 947 5.378 18.117 -8.543 1.00 0.00 C ATOM 514 O TYR A 947 4.690 17.318 -9.176 1.00 0.00 O ATOM 515 CB TYR A 947 7.761 18.129 -9.304 1.00 0.00 C ATOM 516 CG TYR A 947 7.929 19.616 -9.518 1.00 0.00 C ATOM 517 CD1 TYR A 947 8.350 20.444 -8.485 1.00 0.00 C ATOM 518 CD2 TYR A 947 7.665 20.194 -10.754 1.00 0.00 C ATOM 519 CE1 TYR A 947 8.504 21.804 -8.676 1.00 0.00 C ATOM 520 CE2 TYR A 947 7.817 21.552 -10.955 1.00 0.00 C ATOM 521 CZ TYR A 947 8.237 22.353 -9.913 1.00 0.00 C ATOM 522 OH TYR A 947 8.388 23.707 -10.108 1.00 0.00 O ATOM 0 H TYR A 947 7.701 15.884 -8.283 1.00 0.00 H new ATOM 0 HA TYR A 947 7.083 18.370 -7.279 1.00 0.00 H new ATOM 0 HB2 TYR A 947 8.737 17.686 -9.107 1.00 0.00 H new ATOM 0 HB3 TYR A 947 7.386 17.678 -10.223 1.00 0.00 H new ATOM 0 HD1 TYR A 947 8.561 20.017 -7.515 1.00 0.00 H new ATOM 0 HD2 TYR A 947 7.335 19.570 -11.572 1.00 0.00 H new ATOM 0 HE1 TYR A 947 8.831 22.433 -7.862 1.00 0.00 H new ATOM 0 HE2 TYR A 947 7.608 21.984 -11.922 1.00 0.00 H new ATOM 0 HH TYR A 947 8.161 23.931 -11.034 1.00 0.00 H new ATOM 532 N GLY A 948 4.933 19.309 -8.158 1.00 0.00 N ATOM 533 CA GLY A 948 3.582 19.734 -8.475 1.00 0.00 C ATOM 534 C GLY A 948 2.634 19.571 -7.303 1.00 0.00 C ATOM 535 O GLY A 948 1.789 20.432 -7.055 1.00 0.00 O ATOM 0 H GLY A 948 5.484 19.988 -7.632 1.00 0.00 H new ATOM 0 HA2 GLY A 948 3.596 20.779 -8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 948 3.211 19.156 -9.321 1.00 0.00 H new ATOM 539 N TYR A 949 2.771 18.464 -6.583 1.00 0.00 N ATOM 540 CA TYR A 949 1.917 18.189 -5.434 1.00 0.00 C ATOM 541 C TYR A 949 2.521 18.763 -4.156 1.00 0.00 C ATOM 542 O TYR A 949 3.741 18.836 -4.012 1.00 0.00 O ATOM 543 CB TYR A 949 1.705 16.682 -5.279 1.00 0.00 C ATOM 544 CG TYR A 949 0.892 16.067 -6.396 1.00 0.00 C ATOM 545 CD1 TYR A 949 -0.488 16.219 -6.443 1.00 0.00 C ATOM 546 CD2 TYR A 949 1.505 15.332 -7.404 1.00 0.00 C ATOM 547 CE1 TYR A 949 -1.234 15.659 -7.461 1.00 0.00 C ATOM 548 CE2 TYR A 949 0.766 14.769 -8.427 1.00 0.00 C ATOM 549 CZ TYR A 949 -0.603 14.935 -8.451 1.00 0.00 C ATOM 550 OH TYR A 949 -1.342 14.375 -9.467 1.00 0.00 O ATOM 0 H TYR A 949 3.466 17.742 -6.775 1.00 0.00 H new ATOM 0 HA TYR A 949 0.954 18.669 -5.606 1.00 0.00 H new ATOM 0 HB2 TYR A 949 2.676 16.190 -5.234 1.00 0.00 H new ATOM 0 HB3 TYR A 949 1.206 16.490 -4.329 1.00 0.00 H new ATOM 0 HD1 TYR A 949 -0.986 16.785 -5.670 1.00 0.00 H new ATOM 0 HD2 TYR A 949 2.577 15.199 -7.387 1.00 0.00 H new ATOM 0 HE1 TYR A 949 -2.306 15.787 -7.482 1.00 0.00 H new ATOM 0 HE2 TYR A 949 1.258 14.202 -9.204 1.00 0.00 H new ATOM 0 HH TYR A 949 -0.798 14.330 -10.281 1.00 0.00 H new ATOM 560 N GLN A 950 1.657 19.167 -3.230 1.00 0.00 N ATOM 561 CA GLN A 950 2.105 19.735 -1.964 1.00 0.00 C ATOM 562 C GLN A 950 2.482 18.634 -0.978 1.00 0.00 C ATOM 563 O GLN A 950 1.706 18.294 -0.085 1.00 0.00 O ATOM 564 CB GLN A 950 1.012 20.621 -1.364 1.00 0.00 C ATOM 565 CG GLN A 950 0.685 21.841 -2.210 1.00 0.00 C ATOM 566 CD GLN A 950 1.750 22.916 -2.121 1.00 0.00 C ATOM 567 OE1 GLN A 950 1.893 23.581 -1.094 1.00 0.00 O ATOM 568 NE2 GLN A 950 2.505 23.093 -3.199 1.00 0.00 N ATOM 0 H GLN A 950 0.644 19.112 -3.333 1.00 0.00 H new ATOM 0 HA GLN A 950 2.989 20.342 -2.159 1.00 0.00 H new ATOM 0 HB2 GLN A 950 0.107 20.028 -1.232 1.00 0.00 H new ATOM 0 HB3 GLN A 950 1.326 20.950 -0.373 1.00 0.00 H new ATOM 0 HG2 GLN A 950 0.568 21.536 -3.250 1.00 0.00 H new ATOM 0 HG3 GLN A 950 -0.271 22.255 -1.890 1.00 0.00 H new ATOM 0 HE21 GLN A 950 2.352 22.520 -4.029 1.00 0.00 H new ATOM 0 HE22 GLN A 950 3.238 23.802 -3.197 1.00 0.00 H new ATOM 577 N VAL A 951 3.679 18.081 -1.145 1.00 0.00 N ATOM 578 CA VAL A 951 4.160 17.020 -0.269 1.00 0.00 C ATOM 579 C VAL A 951 4.553 17.570 1.097 1.00 0.00 C ATOM 580 O VAL A 951 5.379 18.478 1.198 1.00 0.00 O ATOM 581 CB VAL A 951 5.369 16.290 -0.883 1.00 0.00 C ATOM 582 CG1 VAL A 951 5.980 15.327 0.124 1.00 0.00 C ATOM 583 CG2 VAL A 951 4.960 15.558 -2.153 1.00 0.00 C ATOM 0 H VAL A 951 4.334 18.351 -1.879 1.00 0.00 H new ATOM 0 HA VAL A 951 3.339 16.312 -0.150 1.00 0.00 H new ATOM 0 HB VAL A 951 6.124 17.031 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 951 6.833 14.821 -0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 951 6.311 15.881 1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 951 5.235 14.589 0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 951 5.826 15.048 -2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 951 4.187 14.827 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 951 4.574 16.275 -2.878 1.00 0.00 H new ATOM 593 N ILE A 952 3.956 17.016 2.147 1.00 0.00 N ATOM 594 CA ILE A 952 4.246 17.450 3.508 1.00 0.00 C ATOM 595 C ILE A 952 5.743 17.408 3.792 1.00 0.00 C ATOM 596 O ILE A 952 6.417 16.406 3.554 1.00 0.00 O ATOM 597 CB ILE A 952 3.513 16.579 4.545 1.00 0.00 C ATOM 598 CG1 ILE A 952 2.001 16.788 4.442 1.00 0.00 C ATOM 599 CG2 ILE A 952 4.004 16.901 5.948 1.00 0.00 C ATOM 600 CD1 ILE A 952 1.202 15.880 5.351 1.00 0.00 C ATOM 0 H ILE A 952 3.268 16.266 2.081 1.00 0.00 H new ATOM 0 HA ILE A 952 3.892 18.477 3.593 1.00 0.00 H new ATOM 0 HB ILE A 952 3.730 15.531 4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 952 1.769 17.825 4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 952 1.689 16.622 3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 952 3.477 16.277 6.670 1.00 0.00 H new ATOM 0 HG22 ILE A 952 5.074 16.705 6.013 1.00 0.00 H new ATOM 0 HG23 ILE A 952 3.813 17.951 6.168 1.00 0.00 H new ATOM 0 HD11 ILE A 952 0.139 16.083 5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 952 1.405 14.840 5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 952 1.486 16.062 6.388 1.00 0.00 H new ATOM 612 N PRO A 953 6.278 18.522 4.315 1.00 0.00 N ATOM 613 CA PRO A 953 7.702 18.636 4.645 1.00 0.00 C ATOM 614 C PRO A 953 8.091 17.771 5.839 1.00 0.00 C ATOM 615 O PRO A 953 7.429 17.792 6.875 1.00 0.00 O ATOM 616 CB PRO A 953 7.869 20.120 4.983 1.00 0.00 C ATOM 617 CG PRO A 953 6.517 20.563 5.425 1.00 0.00 C ATOM 618 CD PRO A 953 5.534 19.754 4.624 1.00 0.00 C ATOM 0 HA PRO A 953 8.339 18.296 3.828 1.00 0.00 H new ATOM 0 HB2 PRO A 953 8.610 20.266 5.769 1.00 0.00 H new ATOM 0 HB3 PRO A 953 8.208 20.688 4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 953 6.381 20.396 6.493 1.00 0.00 H new ATOM 0 HG3 PRO A 953 6.379 21.630 5.250 1.00 0.00 H new ATOM 0 HD2 PRO A 953 4.628 19.544 5.193 1.00 0.00 H new ATOM 0 HD3 PRO A 953 5.228 20.276 3.718 1.00 0.00 H new ATOM 626 N GLY A 954 9.171 17.010 5.685 1.00 0.00 N ATOM 627 CA GLY A 954 9.630 16.149 6.759 1.00 0.00 C ATOM 628 C GLY A 954 8.977 14.781 6.725 1.00 0.00 C ATOM 629 O GLY A 954 9.327 13.899 7.507 1.00 0.00 O ATOM 0 H GLY A 954 9.735 16.975 4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 954 10.712 16.034 6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 954 9.420 16.625 7.717 1.00 0.00 H new ATOM 633 N SER A 955 8.023 14.606 5.816 1.00 0.00 N ATOM 634 CA SER A 955 7.315 13.338 5.686 1.00 0.00 C ATOM 635 C SER A 955 8.214 12.274 5.064 1.00 0.00 C ATOM 636 O SER A 955 8.404 11.197 5.629 1.00 0.00 O ATOM 637 CB SER A 955 6.055 13.517 4.837 1.00 0.00 C ATOM 638 OG SER A 955 6.355 13.433 3.455 1.00 0.00 O ATOM 0 H SER A 955 7.723 15.326 5.159 1.00 0.00 H new ATOM 0 HA SER A 955 7.028 13.008 6.684 1.00 0.00 H new ATOM 0 HB2 SER A 955 5.324 12.753 5.101 1.00 0.00 H new ATOM 0 HB3 SER A 955 5.600 14.483 5.055 1.00 0.00 H new ATOM 0 HG SER A 955 6.459 14.335 3.087 1.00 0.00 H new ATOM 644 N VAL A 956 8.766 12.585 3.895 1.00 0.00 N ATOM 645 CA VAL A 956 9.647 11.658 3.195 1.00 0.00 C ATOM 646 C VAL A 956 10.498 10.861 4.177 1.00 0.00 C ATOM 647 O VAL A 956 11.473 11.374 4.727 1.00 0.00 O ATOM 648 CB VAL A 956 10.573 12.398 2.212 1.00 0.00 C ATOM 649 CG1 VAL A 956 11.521 11.421 1.533 1.00 0.00 C ATOM 650 CG2 VAL A 956 9.755 13.162 1.182 1.00 0.00 C ATOM 0 H VAL A 956 8.618 13.472 3.413 1.00 0.00 H new ATOM 0 HA VAL A 956 9.008 10.975 2.636 1.00 0.00 H new ATOM 0 HB VAL A 956 11.170 13.116 2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 956 12.168 11.962 0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 956 12.131 10.923 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 956 10.944 10.677 0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 956 10.426 13.679 0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 956 9.131 12.465 0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 956 9.122 13.891 1.688 1.00 0.00 H new ATOM 660 N CYS A 957 10.125 9.605 4.391 1.00 0.00 N ATOM 661 CA CYS A 957 10.854 8.735 5.307 1.00 0.00 C ATOM 662 C CYS A 957 11.461 7.550 4.564 1.00 0.00 C ATOM 663 O CYS A 957 10.745 6.666 4.091 1.00 0.00 O ATOM 664 CB CYS A 957 9.928 8.237 6.417 1.00 0.00 C ATOM 665 SG CYS A 957 9.809 9.353 7.835 1.00 0.00 S ATOM 0 H CYS A 957 9.321 9.165 3.942 1.00 0.00 H new ATOM 0 HA CYS A 957 11.663 9.314 5.752 1.00 0.00 H new ATOM 0 HB2 CYS A 957 8.931 8.085 6.003 1.00 0.00 H new ATOM 0 HB3 CYS A 957 10.281 7.265 6.762 1.00 0.00 H new ATOM 0 HG CYS A 957 9.206 10.448 7.476 1.00 0.00 H new ATOM 671 N LEU A 958 12.786 7.537 4.464 1.00 0.00 N ATOM 672 CA LEU A 958 13.490 6.460 3.777 1.00 0.00 C ATOM 673 C LEU A 958 13.611 5.230 4.671 1.00 0.00 C ATOM 674 O LEU A 958 13.963 5.335 5.846 1.00 0.00 O ATOM 675 CB LEU A 958 14.881 6.928 3.344 1.00 0.00 C ATOM 676 CG LEU A 958 14.935 7.802 2.091 1.00 0.00 C ATOM 677 CD1 LEU A 958 16.297 8.466 1.962 1.00 0.00 C ATOM 678 CD2 LEU A 958 14.623 6.977 0.851 1.00 0.00 C ATOM 0 H LEU A 958 13.394 8.260 4.850 1.00 0.00 H new ATOM 0 HA LEU A 958 12.913 6.188 2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 958 15.329 7.482 4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 958 15.502 6.048 3.176 1.00 0.00 H new ATOM 0 HG LEU A 958 14.180 8.583 2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 958 16.317 9.084 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 958 16.482 9.090 2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 958 17.070 7.701 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 958 14.666 7.616 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 958 15.354 6.175 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 958 13.625 6.549 0.941 1.00 0.00 H new ATOM 690 N LYS A 959 13.318 4.063 4.107 1.00 0.00 N ATOM 691 CA LYS A 959 13.396 2.812 4.851 1.00 0.00 C ATOM 692 C LYS A 959 14.765 2.161 4.679 1.00 0.00 C ATOM 693 O LYS A 959 15.255 2.011 3.559 1.00 0.00 O ATOM 694 CB LYS A 959 12.300 1.850 4.387 1.00 0.00 C ATOM 695 CG LYS A 959 11.850 0.876 5.463 1.00 0.00 C ATOM 696 CD LYS A 959 10.987 1.561 6.509 1.00 0.00 C ATOM 697 CE LYS A 959 10.589 0.601 7.619 1.00 0.00 C ATOM 698 NZ LYS A 959 9.497 -0.318 7.193 1.00 0.00 N ATOM 0 H LYS A 959 13.024 3.958 3.136 1.00 0.00 H new ATOM 0 HA LYS A 959 13.250 3.037 5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 959 11.440 2.428 4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 959 12.663 1.287 3.527 1.00 0.00 H new ATOM 0 HG2 LYS A 959 11.290 0.060 5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 959 12.723 0.434 5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 959 11.530 2.405 6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 959 10.091 1.964 6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 959 11.458 0.017 7.922 1.00 0.00 H new ATOM 0 HE3 LYS A 959 10.266 1.169 8.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 9.255 -0.956 7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 8.659 0.238 6.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 9.814 -0.878 6.376 1.00 0.00 H new ATOM 712 N TYR A 960 15.376 1.775 5.793 1.00 0.00 N ATOM 713 CA TYR A 960 16.688 1.141 5.765 1.00 0.00 C ATOM 714 C TYR A 960 16.632 -0.255 6.378 1.00 0.00 C ATOM 715 O TYR A 960 15.720 -0.575 7.139 1.00 0.00 O ATOM 716 CB TYR A 960 17.708 1.999 6.516 1.00 0.00 C ATOM 717 CG TYR A 960 17.760 3.433 6.040 1.00 0.00 C ATOM 718 CD1 TYR A 960 18.278 3.753 4.791 1.00 0.00 C ATOM 719 CD2 TYR A 960 17.293 4.469 6.840 1.00 0.00 C ATOM 720 CE1 TYR A 960 18.328 5.062 4.352 1.00 0.00 C ATOM 721 CE2 TYR A 960 17.338 5.780 6.409 1.00 0.00 C ATOM 722 CZ TYR A 960 17.856 6.072 5.164 1.00 0.00 C ATOM 723 OH TYR A 960 17.904 7.378 4.732 1.00 0.00 O ATOM 0 H TYR A 960 14.983 1.890 6.727 1.00 0.00 H new ATOM 0 HA TYR A 960 16.997 1.049 4.724 1.00 0.00 H new ATOM 0 HB2 TYR A 960 17.468 1.986 7.579 1.00 0.00 H new ATOM 0 HB3 TYR A 960 18.696 1.553 6.407 1.00 0.00 H new ATOM 0 HD1 TYR A 960 18.648 2.965 4.152 1.00 0.00 H new ATOM 0 HD2 TYR A 960 16.888 4.245 7.816 1.00 0.00 H new ATOM 0 HE1 TYR A 960 18.734 5.293 3.378 1.00 0.00 H new ATOM 0 HE2 TYR A 960 16.970 6.573 7.043 1.00 0.00 H new ATOM 0 HH TYR A 960 17.531 7.965 5.423 1.00 0.00 H new ATOM 733 N ASN A 961 17.616 -1.082 6.040 1.00 0.00 N ATOM 734 CA ASN A 961 17.680 -2.445 6.556 1.00 0.00 C ATOM 735 C ASN A 961 18.718 -2.557 7.668 1.00 0.00 C ATOM 736 O ASN A 961 19.420 -1.594 7.974 1.00 0.00 O ATOM 737 CB ASN A 961 18.016 -3.424 5.429 1.00 0.00 C ATOM 738 CG ASN A 961 19.063 -2.875 4.479 1.00 0.00 C ATOM 739 OD1 ASN A 961 19.709 -1.866 4.765 1.00 0.00 O ATOM 740 ND2 ASN A 961 19.235 -3.538 3.342 1.00 0.00 N ATOM 0 H ASN A 961 18.380 -0.833 5.411 1.00 0.00 H new ATOM 0 HA ASN A 961 16.703 -2.697 6.968 1.00 0.00 H new ATOM 0 HB2 ASN A 961 18.374 -4.359 5.859 1.00 0.00 H new ATOM 0 HB3 ASN A 961 17.109 -3.656 4.871 1.00 0.00 H new ATOM 0 HD21 ASN A 961 19.925 -3.216 2.663 1.00 0.00 H new ATOM 0 HD22 ASN A 961 18.677 -4.369 3.147 1.00 0.00 H new ATOM 747 N GLU A 962 18.809 -3.739 8.269 1.00 0.00 N ATOM 748 CA GLU A 962 19.762 -3.977 9.347 1.00 0.00 C ATOM 749 C GLU A 962 21.156 -3.493 8.958 1.00 0.00 C ATOM 750 O GLU A 962 21.953 -3.107 9.814 1.00 0.00 O ATOM 751 CB GLU A 962 19.806 -5.465 9.700 1.00 0.00 C ATOM 752 CG GLU A 962 20.229 -6.353 8.542 1.00 0.00 C ATOM 753 CD GLU A 962 19.870 -7.809 8.761 1.00 0.00 C ATOM 754 OE1 GLU A 962 20.422 -8.421 9.699 1.00 0.00 O ATOM 755 OE2 GLU A 962 19.036 -8.337 7.996 1.00 0.00 O ATOM 0 H GLU A 962 18.235 -4.547 8.028 1.00 0.00 H new ATOM 0 HA GLU A 962 19.432 -3.414 10.220 1.00 0.00 H new ATOM 0 HB2 GLU A 962 20.496 -5.612 10.531 1.00 0.00 H new ATOM 0 HB3 GLU A 962 18.820 -5.777 10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 962 19.755 -6.000 7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 962 21.306 -6.266 8.397 1.00 0.00 H new ATOM 762 N LYS A 963 21.443 -3.517 7.661 1.00 0.00 N ATOM 763 CA LYS A 963 22.740 -3.081 7.156 1.00 0.00 C ATOM 764 C LYS A 963 22.882 -1.565 7.260 1.00 0.00 C ATOM 765 O LYS A 963 23.977 -1.049 7.479 1.00 0.00 O ATOM 766 CB LYS A 963 22.918 -3.522 5.702 1.00 0.00 C ATOM 767 CG LYS A 963 23.224 -5.002 5.549 1.00 0.00 C ATOM 768 CD LYS A 963 24.693 -5.297 5.802 1.00 0.00 C ATOM 769 CE LYS A 963 24.944 -6.790 5.948 1.00 0.00 C ATOM 770 NZ LYS A 963 25.061 -7.465 4.626 1.00 0.00 N ATOM 0 H LYS A 963 20.795 -3.834 6.940 1.00 0.00 H new ATOM 0 HA LYS A 963 23.515 -3.544 7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 963 22.010 -3.288 5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 963 23.725 -2.944 5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 963 22.612 -5.575 6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 963 22.954 -5.328 4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 963 25.291 -4.905 4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 963 25.018 -4.782 6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 963 25.858 -6.950 6.520 1.00 0.00 H new ATOM 0 HE3 LYS A 963 24.130 -7.241 6.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 963 25.232 -8.481 4.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 963 24.179 -7.334 4.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 963 25.854 -7.052 4.094 1.00 0.00 H new ATOM 784 N GLY A 964 21.767 -0.858 7.102 1.00 0.00 N ATOM 785 CA GLY A 964 21.790 0.590 7.182 1.00 0.00 C ATOM 786 C GLY A 964 21.542 1.250 5.840 1.00 0.00 C ATOM 787 O GLY A 964 21.503 2.476 5.741 1.00 0.00 O ATOM 0 H GLY A 964 20.849 -1.263 6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 964 21.034 0.923 7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 964 22.756 0.914 7.569 1.00 0.00 H new ATOM 791 N MET A 965 21.376 0.434 4.804 1.00 0.00 N ATOM 792 CA MET A 965 21.131 0.947 3.461 1.00 0.00 C ATOM 793 C MET A 965 19.642 0.919 3.131 1.00 0.00 C ATOM 794 O MET A 965 18.853 0.221 3.769 1.00 0.00 O ATOM 795 CB MET A 965 21.908 0.127 2.429 1.00 0.00 C ATOM 796 CG MET A 965 22.119 -1.322 2.839 1.00 0.00 C ATOM 797 SD MET A 965 23.041 -2.264 1.608 1.00 0.00 S ATOM 798 CE MET A 965 24.610 -2.473 2.447 1.00 0.00 C ATOM 0 H MET A 965 21.407 -0.583 4.869 1.00 0.00 H new ATOM 0 HA MET A 965 21.474 1.981 3.427 1.00 0.00 H new ATOM 0 HB2 MET A 965 21.374 0.153 1.479 1.00 0.00 H new ATOM 0 HB3 MET A 965 22.879 0.594 2.262 1.00 0.00 H new ATOM 0 HG2 MET A 965 22.652 -1.353 3.789 1.00 0.00 H new ATOM 0 HG3 MET A 965 21.150 -1.794 3.002 1.00 0.00 H new ATOM 0 HE1 MET A 965 25.400 -2.620 1.710 1.00 0.00 H new ATOM 0 HE2 MET A 965 24.827 -1.584 3.040 1.00 0.00 H new ATOM 0 HE3 MET A 965 24.559 -3.343 3.102 1.00 0.00 H new ATOM 808 N PRO A 966 19.245 1.696 2.113 1.00 0.00 N ATOM 809 CA PRO A 966 17.848 1.777 1.676 1.00 0.00 C ATOM 810 C PRO A 966 17.374 0.491 1.008 1.00 0.00 C ATOM 811 O PRO A 966 18.069 -0.077 0.165 1.00 0.00 O ATOM 812 CB PRO A 966 17.857 2.930 0.670 1.00 0.00 C ATOM 813 CG PRO A 966 19.256 2.976 0.159 1.00 0.00 C ATOM 814 CD PRO A 966 20.130 2.555 1.308 1.00 0.00 C ATOM 0 HA PRO A 966 17.167 1.930 2.514 1.00 0.00 H new ATOM 0 HB2 PRO A 966 17.146 2.756 -0.138 1.00 0.00 H new ATOM 0 HB3 PRO A 966 17.577 3.871 1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 966 19.383 2.308 -0.693 1.00 0.00 H new ATOM 0 HG3 PRO A 966 19.515 3.979 -0.181 1.00 0.00 H new ATOM 0 HD2 PRO A 966 21.012 2.014 0.965 1.00 0.00 H new ATOM 0 HD3 PRO A 966 20.485 3.413 1.879 1.00 0.00 H new ATOM 822 N THR A 967 16.184 0.036 1.389 1.00 0.00 N ATOM 823 CA THR A 967 15.617 -1.184 0.828 1.00 0.00 C ATOM 824 C THR A 967 14.714 -0.874 -0.360 1.00 0.00 C ATOM 825 O THR A 967 13.922 -1.713 -0.786 1.00 0.00 O ATOM 826 CB THR A 967 14.810 -1.965 1.882 1.00 0.00 C ATOM 827 OG1 THR A 967 13.774 -1.135 2.419 1.00 0.00 O ATOM 828 CG2 THR A 967 15.713 -2.449 3.006 1.00 0.00 C ATOM 0 H THR A 967 15.594 0.494 2.084 1.00 0.00 H new ATOM 0 HA THR A 967 16.454 -1.798 0.495 1.00 0.00 H new ATOM 0 HB THR A 967 14.365 -2.833 1.396 1.00 0.00 H new ATOM 0 HG1 THR A 967 13.264 -1.639 3.087 1.00 0.00 H new ATOM 0 HG21 THR A 967 15.120 -2.998 3.738 1.00 0.00 H new ATOM 0 HG22 THR A 967 16.483 -3.104 2.598 1.00 0.00 H new ATOM 0 HG23 THR A 967 16.184 -1.593 3.489 1.00 0.00 H new ATOM 836 N GLY A 968 14.839 0.338 -0.893 1.00 0.00 N ATOM 837 CA GLY A 968 14.028 0.737 -2.029 1.00 0.00 C ATOM 838 C GLY A 968 12.603 1.069 -1.635 1.00 0.00 C ATOM 839 O GLY A 968 11.698 1.033 -2.468 1.00 0.00 O ATOM 0 H GLY A 968 15.487 1.051 -0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 968 14.481 1.605 -2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 968 14.020 -0.066 -2.766 1.00 0.00 H new ATOM 843 N GLU A 969 12.402 1.390 -0.360 1.00 0.00 N ATOM 844 CA GLU A 969 11.075 1.727 0.142 1.00 0.00 C ATOM 845 C GLU A 969 11.064 3.124 0.755 1.00 0.00 C ATOM 846 O GLU A 969 12.044 3.556 1.360 1.00 0.00 O ATOM 847 CB GLU A 969 10.623 0.699 1.181 1.00 0.00 C ATOM 848 CG GLU A 969 9.865 -0.476 0.585 1.00 0.00 C ATOM 849 CD GLU A 969 9.488 -1.514 1.624 1.00 0.00 C ATOM 850 OE1 GLU A 969 10.329 -1.813 2.498 1.00 0.00 O ATOM 851 OE2 GLU A 969 8.351 -2.028 1.563 1.00 0.00 O ATOM 0 H GLU A 969 13.140 1.424 0.343 1.00 0.00 H new ATOM 0 HA GLU A 969 10.382 1.713 -0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 969 11.497 0.324 1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 969 9.989 1.193 1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 969 8.961 -0.111 0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 969 10.476 -0.945 -0.186 1.00 0.00 H new ATOM 858 N ALA A 970 9.947 3.827 0.592 1.00 0.00 N ATOM 859 CA ALA A 970 9.807 5.174 1.129 1.00 0.00 C ATOM 860 C ALA A 970 8.354 5.478 1.477 1.00 0.00 C ATOM 861 O ALA A 970 7.433 4.946 0.857 1.00 0.00 O ATOM 862 CB ALA A 970 10.339 6.197 0.136 1.00 0.00 C ATOM 0 H ALA A 970 9.126 3.485 0.092 1.00 0.00 H new ATOM 0 HA ALA A 970 10.393 5.235 2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 970 10.228 7.199 0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 970 11.393 6.000 -0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 970 9.778 6.126 -0.796 1.00 0.00 H new ATOM 868 N MET A 971 8.155 6.335 2.474 1.00 0.00 N ATOM 869 CA MET A 971 6.813 6.709 2.904 1.00 0.00 C ATOM 870 C MET A 971 6.672 8.225 2.989 1.00 0.00 C ATOM 871 O MET A 971 7.590 8.920 3.427 1.00 0.00 O ATOM 872 CB MET A 971 6.494 6.078 4.260 1.00 0.00 C ATOM 873 CG MET A 971 5.935 4.668 4.159 1.00 0.00 C ATOM 874 SD MET A 971 4.891 4.232 5.563 1.00 0.00 S ATOM 875 CE MET A 971 5.943 4.715 6.930 1.00 0.00 C ATOM 0 H MET A 971 8.906 6.783 2.999 1.00 0.00 H new ATOM 0 HA MET A 971 6.105 6.337 2.164 1.00 0.00 H new ATOM 0 HB2 MET A 971 7.401 6.058 4.864 1.00 0.00 H new ATOM 0 HB3 MET A 971 5.776 6.708 4.784 1.00 0.00 H new ATOM 0 HG2 MET A 971 5.357 4.575 3.239 1.00 0.00 H new ATOM 0 HG3 MET A 971 6.760 3.959 4.090 1.00 0.00 H new ATOM 0 HE1 MET A 971 5.587 4.245 7.847 1.00 0.00 H new ATOM 0 HE2 MET A 971 6.966 4.396 6.732 1.00 0.00 H new ATOM 0 HE3 MET A 971 5.917 5.799 7.044 1.00 0.00 H new ATOM 885 N VAL A 972 5.518 8.733 2.568 1.00 0.00 N ATOM 886 CA VAL A 972 5.258 10.167 2.598 1.00 0.00 C ATOM 887 C VAL A 972 3.845 10.459 3.092 1.00 0.00 C ATOM 888 O VAL A 972 3.003 9.564 3.159 1.00 0.00 O ATOM 889 CB VAL A 972 5.445 10.801 1.207 1.00 0.00 C ATOM 890 CG1 VAL A 972 6.878 10.624 0.728 1.00 0.00 C ATOM 891 CG2 VAL A 972 4.463 10.200 0.212 1.00 0.00 C ATOM 0 H VAL A 972 4.748 8.172 2.202 1.00 0.00 H new ATOM 0 HA VAL A 972 5.979 10.605 3.288 1.00 0.00 H new ATOM 0 HB VAL A 972 5.242 11.869 1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 972 6.991 11.078 -0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 972 7.558 11.106 1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 972 7.112 9.561 0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 972 4.609 10.659 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 972 4.632 9.126 0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 972 3.443 10.384 0.551 1.00 0.00 H new ATOM 901 N ALA A 973 3.593 11.717 3.436 1.00 0.00 N ATOM 902 CA ALA A 973 2.281 12.128 3.921 1.00 0.00 C ATOM 903 C ALA A 973 1.709 13.256 3.069 1.00 0.00 C ATOM 904 O ALA A 973 2.452 14.068 2.516 1.00 0.00 O ATOM 905 CB ALA A 973 2.368 12.557 5.379 1.00 0.00 C ATOM 0 H ALA A 973 4.280 12.470 3.388 1.00 0.00 H new ATOM 0 HA ALA A 973 1.609 11.274 3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 973 1.381 12.861 5.728 1.00 0.00 H new ATOM 0 HB2 ALA A 973 2.725 11.723 5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 973 3.060 13.394 5.471 1.00 0.00 H new ATOM 911 N PHE A 974 0.385 13.301 2.967 1.00 0.00 N ATOM 912 CA PHE A 974 -0.287 14.329 2.180 1.00 0.00 C ATOM 913 C PHE A 974 -1.378 15.013 2.998 1.00 0.00 C ATOM 914 O PHE A 974 -2.081 14.369 3.776 1.00 0.00 O ATOM 915 CB PHE A 974 -0.890 13.719 0.913 1.00 0.00 C ATOM 916 CG PHE A 974 0.090 13.594 -0.218 1.00 0.00 C ATOM 917 CD1 PHE A 974 1.164 12.723 -0.129 1.00 0.00 C ATOM 918 CD2 PHE A 974 -0.062 14.348 -1.370 1.00 0.00 C ATOM 919 CE1 PHE A 974 2.068 12.607 -1.167 1.00 0.00 C ATOM 920 CE2 PHE A 974 0.839 14.237 -2.412 1.00 0.00 C ATOM 921 CZ PHE A 974 1.905 13.364 -2.311 1.00 0.00 C ATOM 0 H PHE A 974 -0.244 12.638 3.419 1.00 0.00 H new ATOM 0 HA PHE A 974 0.454 15.077 1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 974 -1.288 12.732 1.149 1.00 0.00 H new ATOM 0 HB3 PHE A 974 -1.730 14.333 0.589 1.00 0.00 H new ATOM 0 HD1 PHE A 974 1.296 12.128 0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 974 -0.895 15.031 -1.455 1.00 0.00 H new ATOM 0 HE1 PHE A 974 2.901 11.925 -1.084 1.00 0.00 H new ATOM 0 HE2 PHE A 974 0.710 14.832 -3.304 1.00 0.00 H new ATOM 0 HZ PHE A 974 2.609 13.274 -3.125 1.00 0.00 H new ATOM 931 N GLU A 975 -1.512 16.323 2.817 1.00 0.00 N ATOM 932 CA GLU A 975 -2.516 17.095 3.539 1.00 0.00 C ATOM 933 C GLU A 975 -3.901 16.890 2.931 1.00 0.00 C ATOM 934 O GLU A 975 -4.901 16.825 3.646 1.00 0.00 O ATOM 935 CB GLU A 975 -2.156 18.582 3.524 1.00 0.00 C ATOM 936 CG GLU A 975 -0.797 18.885 4.131 1.00 0.00 C ATOM 937 CD GLU A 975 -0.859 19.081 5.633 1.00 0.00 C ATOM 938 OE1 GLU A 975 -1.236 18.124 6.340 1.00 0.00 O ATOM 939 OE2 GLU A 975 -0.530 20.191 6.101 1.00 0.00 O ATOM 0 H GLU A 975 -0.938 16.872 2.177 1.00 0.00 H new ATOM 0 HA GLU A 975 -2.535 16.743 4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 975 -2.173 18.941 2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 975 -2.920 19.138 4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 975 -0.111 18.069 3.903 1.00 0.00 H new ATOM 0 HG3 GLU A 975 -0.389 19.783 3.668 1.00 0.00 H new ATOM 946 N SER A 976 -3.950 16.789 1.606 1.00 0.00 N ATOM 947 CA SER A 976 -5.212 16.595 0.901 1.00 0.00 C ATOM 948 C SER A 976 -5.346 15.156 0.412 1.00 0.00 C ATOM 949 O SER A 976 -4.420 14.603 -0.182 1.00 0.00 O ATOM 950 CB SER A 976 -5.312 17.560 -0.282 1.00 0.00 C ATOM 951 OG SER A 976 -5.816 18.819 0.127 1.00 0.00 O ATOM 0 H SER A 976 -3.131 16.838 1.000 1.00 0.00 H new ATOM 0 HA SER A 976 -6.025 16.800 1.598 1.00 0.00 H new ATOM 0 HB2 SER A 976 -4.329 17.688 -0.735 1.00 0.00 H new ATOM 0 HB3 SER A 976 -5.962 17.136 -1.047 1.00 0.00 H new ATOM 0 HG SER A 976 -6.086 19.335 -0.661 1.00 0.00 H new ATOM 957 N ARG A 977 -6.504 14.557 0.667 1.00 0.00 N ATOM 958 CA ARG A 977 -6.760 13.182 0.254 1.00 0.00 C ATOM 959 C ARG A 977 -6.730 13.056 -1.266 1.00 0.00 C ATOM 960 O ARG A 977 -6.042 12.195 -1.815 1.00 0.00 O ATOM 961 CB ARG A 977 -8.113 12.710 0.789 1.00 0.00 C ATOM 962 CG ARG A 977 -8.245 11.197 0.861 1.00 0.00 C ATOM 963 CD ARG A 977 -8.784 10.623 -0.440 1.00 0.00 C ATOM 964 NE ARG A 977 -10.243 10.561 -0.449 1.00 0.00 N ATOM 965 CZ ARG A 977 -10.951 10.043 -1.447 1.00 0.00 C ATOM 966 NH1 ARG A 977 -10.336 9.546 -2.511 1.00 0.00 N ATOM 967 NH2 ARG A 977 -12.276 10.023 -1.381 1.00 0.00 N ATOM 0 H ARG A 977 -7.280 15.002 1.157 1.00 0.00 H new ATOM 0 HA ARG A 977 -5.973 12.552 0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 977 -8.266 13.127 1.784 1.00 0.00 H new ATOM 0 HB3 ARG A 977 -8.904 13.105 0.152 1.00 0.00 H new ATOM 0 HG2 ARG A 977 -7.273 10.756 1.080 1.00 0.00 H new ATOM 0 HG3 ARG A 977 -8.909 10.927 1.682 1.00 0.00 H new ATOM 0 HD2 ARG A 977 -8.442 11.235 -1.275 1.00 0.00 H new ATOM 0 HD3 ARG A 977 -8.378 9.623 -0.590 1.00 0.00 H new ATOM 0 HE ARG A 977 -10.746 10.936 0.355 1.00 0.00 H new ATOM 0 HH11 ARG A 977 -9.318 9.561 -2.565 1.00 0.00 H new ATOM 0 HH12 ARG A 977 -10.881 9.149 -3.276 1.00 0.00 H new ATOM 0 HH21 ARG A 977 -12.752 10.405 -0.564 1.00 0.00 H new ATOM 0 HH22 ARG A 977 -12.819 9.625 -2.147 1.00 0.00 H new ATOM 981 N ASP A 978 -7.481 13.920 -1.941 1.00 0.00 N ATOM 982 CA ASP A 978 -7.540 13.906 -3.398 1.00 0.00 C ATOM 983 C ASP A 978 -6.148 14.068 -4.000 1.00 0.00 C ATOM 984 O ASP A 978 -5.851 13.513 -5.058 1.00 0.00 O ATOM 985 CB ASP A 978 -8.460 15.019 -3.903 1.00 0.00 C ATOM 986 CG ASP A 978 -8.699 14.939 -5.398 1.00 0.00 C ATOM 987 OD1 ASP A 978 -7.774 14.520 -6.125 1.00 0.00 O ATOM 988 OD2 ASP A 978 -9.810 15.296 -5.841 1.00 0.00 O ATOM 0 H ASP A 978 -8.057 14.638 -1.502 1.00 0.00 H new ATOM 0 HA ASP A 978 -7.942 12.942 -3.711 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -9.415 14.961 -3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -8.022 15.987 -3.659 1.00 0.00 H new ATOM 993 N GLU A 979 -5.299 14.832 -3.320 1.00 0.00 N ATOM 994 CA GLU A 979 -3.939 15.068 -3.789 1.00 0.00 C ATOM 995 C GLU A 979 -3.113 13.786 -3.729 1.00 0.00 C ATOM 996 O GLU A 979 -2.385 13.460 -4.666 1.00 0.00 O ATOM 997 CB GLU A 979 -3.269 16.160 -2.953 1.00 0.00 C ATOM 998 CG GLU A 979 -3.618 17.569 -3.401 1.00 0.00 C ATOM 999 CD GLU A 979 -5.105 17.757 -3.631 1.00 0.00 C ATOM 1000 OE1 GLU A 979 -5.640 17.142 -4.578 1.00 0.00 O ATOM 1001 OE2 GLU A 979 -5.733 18.518 -2.866 1.00 0.00 O ATOM 0 H GLU A 979 -5.529 15.298 -2.442 1.00 0.00 H new ATOM 0 HA GLU A 979 -3.992 15.397 -4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 979 -3.560 16.037 -1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 979 -2.188 16.030 -3.000 1.00 0.00 H new ATOM 0 HG2 GLU A 979 -3.278 18.280 -2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 979 -3.080 17.797 -4.321 1.00 0.00 H new ATOM 1008 N ALA A 980 -3.231 13.065 -2.619 1.00 0.00 N ATOM 1009 CA ALA A 980 -2.497 11.819 -2.436 1.00 0.00 C ATOM 1010 C ALA A 980 -2.826 10.821 -3.541 1.00 0.00 C ATOM 1011 O ALA A 980 -1.930 10.248 -4.162 1.00 0.00 O ATOM 1012 CB ALA A 980 -2.806 11.220 -1.072 1.00 0.00 C ATOM 0 H ALA A 980 -3.828 13.322 -1.833 1.00 0.00 H new ATOM 0 HA ALA A 980 -1.431 12.042 -2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 980 -2.251 10.290 -0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 980 -2.514 11.923 -0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 980 -3.874 11.018 -0.997 1.00 0.00 H new ATOM 1018 N THR A 981 -4.118 10.615 -3.781 1.00 0.00 N ATOM 1019 CA THR A 981 -4.565 9.684 -4.809 1.00 0.00 C ATOM 1020 C THR A 981 -4.102 10.128 -6.192 1.00 0.00 C ATOM 1021 O THR A 981 -3.631 9.318 -6.989 1.00 0.00 O ATOM 1022 CB THR A 981 -6.099 9.546 -4.814 1.00 0.00 C ATOM 1023 OG1 THR A 981 -6.577 9.350 -3.478 1.00 0.00 O ATOM 1024 CG2 THR A 981 -6.535 8.382 -5.690 1.00 0.00 C ATOM 0 H THR A 981 -4.873 11.081 -3.277 1.00 0.00 H new ATOM 0 HA THR A 981 -4.121 8.717 -4.573 1.00 0.00 H new ATOM 0 HB THR A 981 -6.523 10.464 -5.221 1.00 0.00 H new ATOM 0 HG1 THR A 981 -7.553 9.265 -3.489 1.00 0.00 H new ATOM 0 HG21 THR A 981 -7.622 8.305 -5.678 1.00 0.00 H new ATOM 0 HG22 THR A 981 -6.195 8.548 -6.712 1.00 0.00 H new ATOM 0 HG23 THR A 981 -6.101 7.457 -5.309 1.00 0.00 H new ATOM 1032 N ALA A 982 -4.238 11.421 -6.469 1.00 0.00 N ATOM 1033 CA ALA A 982 -3.831 11.973 -7.755 1.00 0.00 C ATOM 1034 C ALA A 982 -2.333 11.794 -7.980 1.00 0.00 C ATOM 1035 O ALA A 982 -1.895 11.480 -9.087 1.00 0.00 O ATOM 1036 CB ALA A 982 -4.207 13.445 -7.841 1.00 0.00 C ATOM 0 H ALA A 982 -4.627 12.105 -5.820 1.00 0.00 H new ATOM 0 HA ALA A 982 -4.358 11.428 -8.539 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -3.897 13.844 -8.807 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -5.286 13.552 -7.734 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -3.707 13.995 -7.044 1.00 0.00 H new ATOM 1042 N ALA A 983 -1.553 11.997 -6.924 1.00 0.00 N ATOM 1043 CA ALA A 983 -0.104 11.857 -7.007 1.00 0.00 C ATOM 1044 C ALA A 983 0.290 10.424 -7.349 1.00 0.00 C ATOM 1045 O ALA A 983 1.218 10.193 -8.124 1.00 0.00 O ATOM 1046 CB ALA A 983 0.543 12.286 -5.698 1.00 0.00 C ATOM 0 H ALA A 983 -1.900 12.259 -6.001 1.00 0.00 H new ATOM 0 HA ALA A 983 0.254 12.505 -7.807 1.00 0.00 H new ATOM 0 HB1 ALA A 983 1.625 12.176 -5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 983 0.297 13.328 -5.495 1.00 0.00 H new ATOM 0 HB3 ALA A 983 0.171 11.661 -4.886 1.00 0.00 H new ATOM 1052 N VAL A 984 -0.420 9.464 -6.765 1.00 0.00 N ATOM 1053 CA VAL A 984 -0.145 8.054 -7.009 1.00 0.00 C ATOM 1054 C VAL A 984 -0.533 7.655 -8.429 1.00 0.00 C ATOM 1055 O VAL A 984 0.258 7.047 -9.151 1.00 0.00 O ATOM 1056 CB VAL A 984 -0.898 7.154 -6.011 1.00 0.00 C ATOM 1057 CG1 VAL A 984 -0.737 5.689 -6.386 1.00 0.00 C ATOM 1058 CG2 VAL A 984 -0.409 7.407 -4.593 1.00 0.00 C ATOM 0 H VAL A 984 -1.190 9.638 -6.119 1.00 0.00 H new ATOM 0 HA VAL A 984 0.928 7.914 -6.876 1.00 0.00 H new ATOM 0 HB VAL A 984 -1.959 7.400 -6.055 1.00 0.00 H new ATOM 0 HG11 VAL A 984 -1.276 5.069 -5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 984 -1.140 5.523 -7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 984 0.320 5.424 -6.372 1.00 0.00 H new ATOM 0 HG21 VAL A 984 -0.951 6.763 -3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 984 0.657 7.189 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 984 -0.582 8.450 -4.329 1.00 0.00 H new ATOM 1068 N ILE A 985 -1.754 8.002 -8.822 1.00 0.00 N ATOM 1069 CA ILE A 985 -2.246 7.681 -10.156 1.00 0.00 C ATOM 1070 C ILE A 985 -1.431 8.396 -11.228 1.00 0.00 C ATOM 1071 O ILE A 985 -1.047 7.797 -12.233 1.00 0.00 O ATOM 1072 CB ILE A 985 -3.729 8.062 -10.315 1.00 0.00 C ATOM 1073 CG1 ILE A 985 -4.579 7.340 -9.268 1.00 0.00 C ATOM 1074 CG2 ILE A 985 -4.214 7.731 -11.719 1.00 0.00 C ATOM 1075 CD1 ILE A 985 -5.993 7.869 -9.167 1.00 0.00 C ATOM 0 H ILE A 985 -2.420 8.505 -8.236 1.00 0.00 H new ATOM 0 HA ILE A 985 -2.141 6.603 -10.281 1.00 0.00 H new ATOM 0 HB ILE A 985 -3.831 9.136 -10.160 1.00 0.00 H new ATOM 0 HG12 ILE A 985 -4.614 6.278 -9.510 1.00 0.00 H new ATOM 0 HG13 ILE A 985 -4.096 7.430 -8.295 1.00 0.00 H new ATOM 0 HG21 ILE A 985 -5.264 8.006 -11.815 1.00 0.00 H new ATOM 0 HG22 ILE A 985 -3.625 8.287 -12.448 1.00 0.00 H new ATOM 0 HG23 ILE A 985 -4.101 6.662 -11.900 1.00 0.00 H new ATOM 0 HD11 ILE A 985 -6.537 7.310 -8.405 1.00 0.00 H new ATOM 0 HD12 ILE A 985 -5.968 8.924 -8.895 1.00 0.00 H new ATOM 0 HD13 ILE A 985 -6.494 7.754 -10.128 1.00 0.00 H new ATOM 1087 N ASP A 986 -1.169 9.680 -11.007 1.00 0.00 N ATOM 1088 CA ASP A 986 -0.396 10.476 -11.954 1.00 0.00 C ATOM 1089 C ASP A 986 1.065 10.038 -11.967 1.00 0.00 C ATOM 1090 O ASP A 986 1.764 10.204 -12.968 1.00 0.00 O ATOM 1091 CB ASP A 986 -0.493 11.961 -11.601 1.00 0.00 C ATOM 1092 CG ASP A 986 -0.391 12.854 -12.822 1.00 0.00 C ATOM 1093 OD1 ASP A 986 -1.119 12.601 -13.804 1.00 0.00 O ATOM 1094 OD2 ASP A 986 0.418 13.806 -12.796 1.00 0.00 O ATOM 0 H ASP A 986 -1.480 10.191 -10.181 1.00 0.00 H new ATOM 0 HA ASP A 986 -0.812 10.318 -12.949 1.00 0.00 H new ATOM 0 HB2 ASP A 986 -1.439 12.150 -11.094 1.00 0.00 H new ATOM 0 HB3 ASP A 986 0.301 12.217 -10.900 1.00 0.00 H new ATOM 1099 N LEU A 987 1.520 9.479 -10.852 1.00 0.00 N ATOM 1100 CA LEU A 987 2.899 9.017 -10.734 1.00 0.00 C ATOM 1101 C LEU A 987 2.948 7.533 -10.386 1.00 0.00 C ATOM 1102 O LEU A 987 3.850 7.081 -9.682 1.00 0.00 O ATOM 1103 CB LEU A 987 3.640 9.828 -9.670 1.00 0.00 C ATOM 1104 CG LEU A 987 3.262 11.307 -9.569 1.00 0.00 C ATOM 1105 CD1 LEU A 987 3.589 11.847 -8.185 1.00 0.00 C ATOM 1106 CD2 LEU A 987 3.978 12.114 -10.641 1.00 0.00 C ATOM 0 H LEU A 987 0.954 9.334 -10.016 1.00 0.00 H new ATOM 0 HA LEU A 987 3.388 9.161 -11.697 1.00 0.00 H new ATOM 0 HB2 LEU A 987 3.466 9.362 -8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 987 4.709 9.760 -9.869 1.00 0.00 H new ATOM 0 HG LEU A 987 2.188 11.400 -9.729 1.00 0.00 H new ATOM 0 HD11 LEU A 987 3.314 12.900 -8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 987 3.031 11.287 -7.435 1.00 0.00 H new ATOM 0 HD13 LEU A 987 4.657 11.741 -7.996 1.00 0.00 H new ATOM 0 HD21 LEU A 987 3.697 13.164 -10.554 1.00 0.00 H new ATOM 0 HD22 LEU A 987 5.056 12.015 -10.512 1.00 0.00 H new ATOM 0 HD23 LEU A 987 3.695 11.743 -11.626 1.00 0.00 H new ATOM 1118 N ASN A 988 1.973 6.781 -10.885 1.00 0.00 N ATOM 1119 CA ASN A 988 1.907 5.347 -10.627 1.00 0.00 C ATOM 1120 C ASN A 988 2.758 4.574 -11.631 1.00 0.00 C ATOM 1121 O ASN A 988 2.666 4.795 -12.838 1.00 0.00 O ATOM 1122 CB ASN A 988 0.457 4.862 -10.692 1.00 0.00 C ATOM 1123 CG ASN A 988 0.348 3.422 -11.155 1.00 0.00 C ATOM 1124 OD1 ASN A 988 0.089 3.154 -12.328 1.00 0.00 O ATOM 1125 ND2 ASN A 988 0.546 2.488 -10.232 1.00 0.00 N ATOM 0 H ASN A 988 1.218 7.140 -11.470 1.00 0.00 H new ATOM 0 HA ASN A 988 2.300 5.165 -9.627 1.00 0.00 H new ATOM 0 HB2 ASN A 988 -0.000 4.960 -9.707 1.00 0.00 H new ATOM 0 HB3 ASN A 988 -0.107 5.502 -11.370 1.00 0.00 H new ATOM 0 HD21 ASN A 988 0.486 1.501 -10.484 1.00 0.00 H new ATOM 0 HD22 ASN A 988 0.758 2.757 -9.271 1.00 0.00 H new ATOM 1132 N ASP A 989 3.584 3.667 -11.122 1.00 0.00 N ATOM 1133 CA ASP A 989 4.451 2.859 -11.973 1.00 0.00 C ATOM 1134 C ASP A 989 5.311 3.745 -12.869 1.00 0.00 C ATOM 1135 O ASP A 989 5.471 3.472 -14.059 1.00 0.00 O ATOM 1136 CB ASP A 989 3.616 1.905 -12.828 1.00 0.00 C ATOM 1137 CG ASP A 989 3.129 0.702 -12.046 1.00 0.00 C ATOM 1138 OD1 ASP A 989 3.885 0.210 -11.182 1.00 0.00 O ATOM 1139 OD2 ASP A 989 1.992 0.250 -12.298 1.00 0.00 O ATOM 0 H ASP A 989 3.672 3.472 -10.125 1.00 0.00 H new ATOM 0 HA ASP A 989 5.110 2.276 -11.330 1.00 0.00 H new ATOM 0 HB2 ASP A 989 2.759 2.442 -13.234 1.00 0.00 H new ATOM 0 HB3 ASP A 989 4.211 1.567 -13.676 1.00 0.00 H new ATOM 1144 N ARG A 990 5.862 4.807 -12.289 1.00 0.00 N ATOM 1145 CA ARG A 990 6.704 5.734 -13.036 1.00 0.00 C ATOM 1146 C ARG A 990 8.143 5.231 -13.099 1.00 0.00 C ATOM 1147 O ARG A 990 8.724 4.810 -12.098 1.00 0.00 O ATOM 1148 CB ARG A 990 6.664 7.122 -12.394 1.00 0.00 C ATOM 1149 CG ARG A 990 5.549 8.007 -12.924 1.00 0.00 C ATOM 1150 CD ARG A 990 5.876 9.482 -12.747 1.00 0.00 C ATOM 1151 NE ARG A 990 6.969 9.908 -13.617 1.00 0.00 N ATOM 1152 CZ ARG A 990 7.461 11.142 -13.627 1.00 0.00 C ATOM 1153 NH1 ARG A 990 6.960 12.066 -12.819 1.00 0.00 N ATOM 1154 NH2 ARG A 990 8.456 11.454 -14.448 1.00 0.00 N ATOM 0 H ARG A 990 5.740 5.046 -11.305 1.00 0.00 H new ATOM 0 HA ARG A 990 6.316 5.800 -14.053 1.00 0.00 H new ATOM 0 HB2 ARG A 990 6.547 7.011 -11.316 1.00 0.00 H new ATOM 0 HB3 ARG A 990 7.620 7.618 -12.561 1.00 0.00 H new ATOM 0 HG2 ARG A 990 5.385 7.794 -13.980 1.00 0.00 H new ATOM 0 HG3 ARG A 990 4.620 7.774 -12.404 1.00 0.00 H new ATOM 0 HD2 ARG A 990 4.989 10.078 -12.961 1.00 0.00 H new ATOM 0 HD3 ARG A 990 6.145 9.672 -11.708 1.00 0.00 H new ATOM 0 HE ARG A 990 7.377 9.221 -14.251 1.00 0.00 H new ATOM 0 HH11 ARG A 990 6.195 11.830 -12.187 1.00 0.00 H new ATOM 0 HH12 ARG A 990 7.340 13.013 -12.829 1.00 0.00 H new ATOM 0 HH21 ARG A 990 8.843 10.746 -15.072 1.00 0.00 H new ATOM 0 HH22 ARG A 990 8.833 12.402 -14.455 1.00 0.00 H new ATOM 1168 N PRO A 991 8.733 5.275 -14.302 1.00 0.00 N ATOM 1169 CA PRO A 991 10.111 4.828 -14.525 1.00 0.00 C ATOM 1170 C PRO A 991 11.134 5.758 -13.881 1.00 0.00 C ATOM 1171 O PRO A 991 11.590 6.719 -14.502 1.00 0.00 O ATOM 1172 CB PRO A 991 10.251 4.853 -16.049 1.00 0.00 C ATOM 1173 CG PRO A 991 9.249 5.857 -16.504 1.00 0.00 C ATOM 1174 CD PRO A 991 8.101 5.764 -15.539 1.00 0.00 C ATOM 0 HA PRO A 991 10.298 3.850 -14.082 1.00 0.00 H new ATOM 0 HB2 PRO A 991 11.260 5.136 -16.349 1.00 0.00 H new ATOM 0 HB3 PRO A 991 10.053 3.872 -16.481 1.00 0.00 H new ATOM 0 HG2 PRO A 991 9.676 6.860 -16.507 1.00 0.00 H new ATOM 0 HG3 PRO A 991 8.921 5.647 -17.522 1.00 0.00 H new ATOM 0 HD2 PRO A 991 7.622 6.732 -15.390 1.00 0.00 H new ATOM 0 HD3 PRO A 991 7.331 5.079 -15.895 1.00 0.00 H new ATOM 1182 N ILE A 992 11.489 5.467 -12.635 1.00 0.00 N ATOM 1183 CA ILE A 992 12.459 6.277 -11.908 1.00 0.00 C ATOM 1184 C ILE A 992 13.877 5.756 -12.116 1.00 0.00 C ATOM 1185 O ILE A 992 14.156 4.579 -11.889 1.00 0.00 O ATOM 1186 CB ILE A 992 12.151 6.307 -10.400 1.00 0.00 C ATOM 1187 CG1 ILE A 992 10.968 7.235 -10.117 1.00 0.00 C ATOM 1188 CG2 ILE A 992 13.378 6.750 -9.617 1.00 0.00 C ATOM 1189 CD1 ILE A 992 10.719 7.464 -8.642 1.00 0.00 C ATOM 0 H ILE A 992 11.120 4.676 -12.107 1.00 0.00 H new ATOM 0 HA ILE A 992 12.385 7.289 -12.305 1.00 0.00 H new ATOM 0 HB ILE A 992 11.884 5.300 -10.079 1.00 0.00 H new ATOM 0 HG12 ILE A 992 11.146 8.195 -10.601 1.00 0.00 H new ATOM 0 HG13 ILE A 992 10.070 6.813 -10.568 1.00 0.00 H new ATOM 0 HG21 ILE A 992 13.144 6.766 -8.553 1.00 0.00 H new ATOM 0 HG22 ILE A 992 14.196 6.053 -9.798 1.00 0.00 H new ATOM 0 HG23 ILE A 992 13.674 7.749 -9.939 1.00 0.00 H new ATOM 0 HD11 ILE A 992 9.866 8.131 -8.516 1.00 0.00 H new ATOM 0 HD12 ILE A 992 10.509 6.511 -8.156 1.00 0.00 H new ATOM 0 HD13 ILE A 992 11.602 7.915 -8.190 1.00 0.00 H new ATOM 1201 N GLY A 993 14.770 6.641 -12.549 1.00 0.00 N ATOM 1202 CA GLY A 993 16.149 6.251 -12.778 1.00 0.00 C ATOM 1203 C GLY A 993 16.278 5.162 -13.825 1.00 0.00 C ATOM 1204 O GLY A 993 16.371 5.447 -15.019 1.00 0.00 O ATOM 0 H GLY A 993 14.563 7.620 -12.745 1.00 0.00 H new ATOM 0 HA2 GLY A 993 16.722 7.123 -13.093 1.00 0.00 H new ATOM 0 HA3 GLY A 993 16.585 5.904 -11.841 1.00 0.00 H new ATOM 1208 N SER A 994 16.284 3.911 -13.377 1.00 0.00 N ATOM 1209 CA SER A 994 16.408 2.775 -14.283 1.00 0.00 C ATOM 1210 C SER A 994 15.344 1.723 -13.984 1.00 0.00 C ATOM 1211 O SER A 994 15.246 0.710 -14.676 1.00 0.00 O ATOM 1212 CB SER A 994 17.802 2.155 -14.170 1.00 0.00 C ATOM 1213 OG SER A 994 18.747 2.882 -14.936 1.00 0.00 O ATOM 0 H SER A 994 16.204 3.658 -12.392 1.00 0.00 H new ATOM 0 HA SER A 994 16.261 3.136 -15.301 1.00 0.00 H new ATOM 0 HB2 SER A 994 18.112 2.138 -13.125 1.00 0.00 H new ATOM 0 HB3 SER A 994 17.772 1.120 -14.511 1.00 0.00 H new ATOM 0 HG SER A 994 19.630 2.467 -14.846 1.00 0.00 H new ATOM 1219 N ARG A 995 14.551 1.971 -12.947 1.00 0.00 N ATOM 1220 CA ARG A 995 13.495 1.045 -12.554 1.00 0.00 C ATOM 1221 C ARG A 995 12.191 1.790 -12.286 1.00 0.00 C ATOM 1222 O ARG A 995 12.188 3.003 -12.073 1.00 0.00 O ATOM 1223 CB ARG A 995 13.913 0.262 -11.308 1.00 0.00 C ATOM 1224 CG ARG A 995 15.333 -0.275 -11.374 1.00 0.00 C ATOM 1225 CD ARG A 995 15.600 -1.281 -10.264 1.00 0.00 C ATOM 1226 NE ARG A 995 15.164 -2.626 -10.628 1.00 0.00 N ATOM 1227 CZ ARG A 995 15.005 -3.610 -9.750 1.00 0.00 C ATOM 1228 NH1 ARG A 995 15.244 -3.399 -8.463 1.00 0.00 N ATOM 1229 NH2 ARG A 995 14.605 -4.807 -10.158 1.00 0.00 N ATOM 0 H ARG A 995 14.619 2.805 -12.364 1.00 0.00 H new ATOM 0 HA ARG A 995 13.332 0.348 -13.376 1.00 0.00 H new ATOM 0 HB2 ARG A 995 13.818 0.907 -10.435 1.00 0.00 H new ATOM 0 HB3 ARG A 995 13.225 -0.571 -11.165 1.00 0.00 H new ATOM 0 HG2 ARG A 995 15.500 -0.747 -12.342 1.00 0.00 H new ATOM 0 HG3 ARG A 995 16.040 0.551 -11.296 1.00 0.00 H new ATOM 0 HD2 ARG A 995 16.666 -1.295 -10.036 1.00 0.00 H new ATOM 0 HD3 ARG A 995 15.084 -0.966 -9.357 1.00 0.00 H new ATOM 0 HE ARG A 995 14.971 -2.821 -11.610 1.00 0.00 H new ATOM 0 HH11 ARG A 995 15.551 -2.480 -8.145 1.00 0.00 H new ATOM 0 HH12 ARG A 995 15.121 -4.156 -7.791 1.00 0.00 H new ATOM 0 HH21 ARG A 995 14.419 -4.973 -11.147 1.00 0.00 H new ATOM 0 HH22 ARG A 995 14.483 -5.562 -9.483 1.00 0.00 H new ATOM 1243 N LYS A 996 11.083 1.056 -12.300 1.00 0.00 N ATOM 1244 CA LYS A 996 9.772 1.645 -12.058 1.00 0.00 C ATOM 1245 C LYS A 996 9.428 1.617 -10.572 1.00 0.00 C ATOM 1246 O LYS A 996 9.743 0.656 -9.870 1.00 0.00 O ATOM 1247 CB LYS A 996 8.699 0.899 -12.855 1.00 0.00 C ATOM 1248 CG LYS A 996 8.972 0.854 -14.348 1.00 0.00 C ATOM 1249 CD LYS A 996 8.100 -0.177 -15.044 1.00 0.00 C ATOM 1250 CE LYS A 996 7.815 0.215 -16.486 1.00 0.00 C ATOM 1251 NZ LYS A 996 6.616 1.091 -16.595 1.00 0.00 N ATOM 0 H LYS A 996 11.068 0.052 -12.477 1.00 0.00 H new ATOM 0 HA LYS A 996 9.803 2.684 -12.386 1.00 0.00 H new ATOM 0 HB2 LYS A 996 8.621 -0.121 -12.477 1.00 0.00 H new ATOM 0 HB3 LYS A 996 7.734 1.377 -12.685 1.00 0.00 H new ATOM 0 HG2 LYS A 996 8.791 1.837 -14.782 1.00 0.00 H new ATOM 0 HG3 LYS A 996 10.022 0.619 -14.520 1.00 0.00 H new ATOM 0 HD2 LYS A 996 8.594 -1.148 -15.021 1.00 0.00 H new ATOM 0 HD3 LYS A 996 7.160 -0.285 -14.503 1.00 0.00 H new ATOM 0 HE2 LYS A 996 8.681 0.731 -16.900 1.00 0.00 H new ATOM 0 HE3 LYS A 996 7.664 -0.684 -17.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 996 6.455 1.336 -17.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 996 5.784 0.589 -16.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 996 6.770 1.960 -16.045 1.00 0.00 H new ATOM 1265 N VAL A 997 8.778 2.676 -10.099 1.00 0.00 N ATOM 1266 CA VAL A 997 8.389 2.771 -8.697 1.00 0.00 C ATOM 1267 C VAL A 997 6.920 2.410 -8.509 1.00 0.00 C ATOM 1268 O VAL A 997 6.097 2.623 -9.400 1.00 0.00 O ATOM 1269 CB VAL A 997 8.634 4.186 -8.141 1.00 0.00 C ATOM 1270 CG1 VAL A 997 10.097 4.367 -7.767 1.00 0.00 C ATOM 1271 CG2 VAL A 997 8.200 5.238 -9.152 1.00 0.00 C ATOM 0 H VAL A 997 8.510 3.480 -10.666 1.00 0.00 H new ATOM 0 HA VAL A 997 9.008 2.061 -8.148 1.00 0.00 H new ATOM 0 HB VAL A 997 8.035 4.312 -7.239 1.00 0.00 H new ATOM 0 HG11 VAL A 997 10.251 5.373 -7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 997 10.371 3.636 -7.006 1.00 0.00 H new ATOM 0 HG13 VAL A 997 10.719 4.222 -8.650 1.00 0.00 H new ATOM 0 HG21 VAL A 997 8.380 6.232 -8.743 1.00 0.00 H new ATOM 0 HG22 VAL A 997 8.771 5.116 -10.072 1.00 0.00 H new ATOM 0 HG23 VAL A 997 7.138 5.121 -9.366 1.00 0.00 H new ATOM 1281 N LYS A 998 6.596 1.862 -7.343 1.00 0.00 N ATOM 1282 CA LYS A 998 5.225 1.473 -7.035 1.00 0.00 C ATOM 1283 C LYS A 998 4.651 2.338 -5.917 1.00 0.00 C ATOM 1284 O LYS A 998 5.236 2.444 -4.838 1.00 0.00 O ATOM 1285 CB LYS A 998 5.171 -0.003 -6.631 1.00 0.00 C ATOM 1286 CG LYS A 998 3.767 -0.500 -6.330 1.00 0.00 C ATOM 1287 CD LYS A 998 2.851 -0.344 -7.532 1.00 0.00 C ATOM 1288 CE LYS A 998 1.455 -0.873 -7.240 1.00 0.00 C ATOM 1289 NZ LYS A 998 1.467 -2.330 -6.932 1.00 0.00 N ATOM 0 H LYS A 998 7.265 1.677 -6.595 1.00 0.00 H new ATOM 0 HA LYS A 998 4.622 1.621 -7.931 1.00 0.00 H new ATOM 0 HB2 LYS A 998 5.597 -0.606 -7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 998 5.797 -0.154 -5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 998 3.807 -1.549 -6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 998 3.357 0.053 -5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 998 2.792 0.708 -7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 998 3.273 -0.877 -8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 998 1.029 -0.327 -6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 998 0.810 -0.689 -8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 998 0.499 -2.705 -6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 998 2.071 -2.825 -7.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 998 1.840 -2.479 -5.973 1.00 0.00 H new ATOM 1303 N LEU A 999 3.504 2.953 -6.180 1.00 0.00 N ATOM 1304 CA LEU A 999 2.850 3.807 -5.195 1.00 0.00 C ATOM 1305 C LEU A 999 1.556 3.172 -4.696 1.00 0.00 C ATOM 1306 O LEU A 999 0.699 2.780 -5.488 1.00 0.00 O ATOM 1307 CB LEU A 999 2.557 5.182 -5.798 1.00 0.00 C ATOM 1308 CG LEU A 999 3.777 6.014 -6.198 1.00 0.00 C ATOM 1309 CD1 LEU A 999 3.356 7.209 -7.038 1.00 0.00 C ATOM 1310 CD2 LEU A 999 4.539 6.470 -4.963 1.00 0.00 C ATOM 0 H LEU A 999 3.007 2.876 -7.067 1.00 0.00 H new ATOM 0 HA LEU A 999 3.525 3.925 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 999 1.932 5.044 -6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 999 1.972 5.755 -5.079 1.00 0.00 H new ATOM 0 HG LEU A 999 4.438 5.389 -6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 999 4.237 7.789 -7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 999 2.855 6.861 -7.941 1.00 0.00 H new ATOM 0 HD13 LEU A 999 2.674 7.836 -6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 999 5.404 7.060 -5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 999 3.886 7.078 -4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 999 4.874 5.599 -4.400 1.00 0.00 H new ATOM 1322 N VAL A1000 1.421 3.075 -3.377 1.00 0.00 N ATOM 1323 CA VAL A1000 0.230 2.491 -2.772 1.00 0.00 C ATOM 1324 C VAL A1000 -0.441 3.474 -1.820 1.00 0.00 C ATOM 1325 O VAL A1000 0.226 4.156 -1.041 1.00 0.00 O ATOM 1326 CB VAL A1000 0.567 1.199 -2.004 1.00 0.00 C ATOM 1327 CG1 VAL A1000 -0.682 0.622 -1.356 1.00 0.00 C ATOM 1328 CG2 VAL A1000 1.215 0.182 -2.932 1.00 0.00 C ATOM 0 H VAL A1000 2.122 3.393 -2.707 1.00 0.00 H new ATOM 0 HA VAL A1000 -0.455 2.253 -3.586 1.00 0.00 H new ATOM 0 HB VAL A1000 1.278 1.441 -1.214 1.00 0.00 H new ATOM 0 HG11 VAL A1000 -0.424 -0.290 -0.818 1.00 0.00 H new ATOM 0 HG12 VAL A1000 -1.099 1.349 -0.659 1.00 0.00 H new ATOM 0 HG13 VAL A1000 -1.419 0.393 -2.126 1.00 0.00 H new ATOM 0 HG21 VAL A1000 1.447 -0.725 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A1000 0.529 -0.058 -3.745 1.00 0.00 H new ATOM 0 HG23 VAL A1000 2.134 0.599 -3.344 1.00 0.00 H new ATOM 1338 N LEU A1001 -1.766 3.542 -1.887 1.00 0.00 N ATOM 1339 CA LEU A1001 -2.530 4.443 -1.030 1.00 0.00 C ATOM 1340 C LEU A1001 -2.652 3.878 0.382 1.00 0.00 C ATOM 1341 O LEU A1001 -3.063 2.734 0.571 1.00 0.00 O ATOM 1342 CB LEU A1001 -3.922 4.680 -1.618 1.00 0.00 C ATOM 1343 CG LEU A1001 -4.044 5.840 -2.607 1.00 0.00 C ATOM 1344 CD1 LEU A1001 -5.332 5.725 -3.408 1.00 0.00 C ATOM 1345 CD2 LEU A1001 -3.987 7.173 -1.875 1.00 0.00 C ATOM 0 H LEU A1001 -2.334 2.985 -2.525 1.00 0.00 H new ATOM 0 HA LEU A1001 -1.998 5.393 -0.977 1.00 0.00 H new ATOM 0 HB2 LEU A1001 -4.243 3.767 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU A1001 -4.617 4.855 -0.796 1.00 0.00 H new ATOM 0 HG LEU A1001 -3.204 5.792 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A1001 -5.402 6.559 -4.106 1.00 0.00 H new ATOM 0 HD12 LEU A1001 -5.333 4.786 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU A1001 -6.185 5.747 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A1001 -4.075 7.987 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A1001 -4.807 7.231 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A1001 -3.038 7.257 -1.346 1.00 0.00 H new ATOM 1357 N GLY A1002 -2.293 4.690 1.372 1.00 0.00 N ATOM 1358 CA GLY A1002 -2.371 4.255 2.754 1.00 0.00 C ATOM 1359 C GLY A1002 -3.758 3.775 3.133 1.00 0.00 C ATOM 1360 O GLY A1002 -4.006 2.571 3.210 1.00 0.00 O ATOM 0 H GLY A1002 -1.950 5.641 1.241 1.00 0.00 H new ATOM 0 HA2 GLY A1002 -1.654 3.451 2.920 1.00 0.00 H new ATOM 0 HA3 GLY A1002 -2.084 5.078 3.408 1.00 0.00 H new