USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 411 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 Set 1.1: A 870 CYS SG : rot -151:sc= 1.2 USER MOD Set 1.2: A 873 CYS SG : rot -8:sc= -2.84! USER MOD Set 1.3: A 882 MET CE :methyl -145:sc= -0.0968 (180deg=-0.758) USER MOD Set 1.4: A 893 HIS : no HE2:sc= -0.748 K(o=-5.6,f=-11!) USER MOD Set 1.5: A 896 CYS SG : rot -152:sc= -3.11! USER MOD Set 2.1: A 885 CYS SG : rot -165:sc= 1.74 USER MOD Set 2.2: A 888 CYS SG : rot 119:sc= 1.25 USER MOD Set 2.3: A 892 TYR OH : rot 32:sc= 1.23 USER MOD Set 2.4: A 911 CYS SG : rot -78:sc= -0.148! USER MOD Set 2.5: A 914 CYS SG : rot 94:sc= -0.012 USER MOD Set 2.6: A 917 LYS NZ :NH3+ 174:sc= 1.12 (180deg=-0.0265) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -1.13! X(o=-1.1!,f=-1.2) USER MOD Single : A 866 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 874 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 880 SER OG : rot 87:sc= 1.25 USER MOD Single : A 900 MET CE :methyl -168:sc= -0.0225 (180deg=-0.246) USER MOD Single : A 908 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 913 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 916 ASN :FLIP amide:sc= -0.0529 F(o=-1.1,f=-0.053) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 857 9.523 5.955 -4.890 1.00 0.00 N ATOM 93 CA TYR A 857 8.129 5.862 -4.486 1.00 0.00 C ATOM 94 C TYR A 857 7.645 7.174 -3.893 1.00 0.00 C ATOM 95 O TYR A 857 6.539 7.248 -3.328 1.00 0.00 O ATOM 96 CB TYR A 857 7.912 4.726 -3.490 1.00 0.00 C ATOM 97 CG TYR A 857 8.213 3.350 -4.026 1.00 0.00 C ATOM 98 CD1 TYR A 857 9.510 2.865 -4.044 1.00 0.00 C ATOM 99 CD2 TYR A 857 7.199 2.534 -4.507 1.00 0.00 C ATOM 100 CE1 TYR A 857 9.795 1.616 -4.524 1.00 0.00 C ATOM 101 CE2 TYR A 857 7.473 1.275 -4.986 1.00 0.00 C ATOM 102 CZ TYR A 857 8.770 0.819 -4.995 1.00 0.00 C ATOM 103 OH TYR A 857 9.036 -0.440 -5.462 1.00 0.00 O ATOM 0 HA TYR A 857 7.546 5.647 -5.382 1.00 0.00 H new ATOM 0 HB2 TYR A 857 8.537 4.904 -2.615 1.00 0.00 H new ATOM 0 HB3 TYR A 857 6.876 4.751 -3.152 1.00 0.00 H new ATOM 0 HD1 TYR A 857 10.312 3.485 -3.672 1.00 0.00 H new ATOM 0 HD2 TYR A 857 6.180 2.893 -4.505 1.00 0.00 H new ATOM 0 HE1 TYR A 857 10.813 1.256 -4.535 1.00 0.00 H new ATOM 0 HE2 TYR A 857 6.674 0.648 -5.353 1.00 0.00 H new ATOM 0 HH TYR A 857 8.202 -0.864 -5.754 1.00 0.00 H new ATOM 113 N VAL A 858 8.463 8.203 -4.021 1.00 0.00 N ATOM 114 CA VAL A 858 8.140 9.521 -3.504 1.00 0.00 C ATOM 115 C VAL A 858 8.413 10.567 -4.559 1.00 0.00 C ATOM 116 O VAL A 858 9.556 10.727 -5.015 1.00 0.00 O ATOM 117 CB VAL A 858 8.955 9.890 -2.215 1.00 0.00 C ATOM 118 CG1 VAL A 858 8.619 11.303 -1.738 1.00 0.00 C ATOM 119 CG2 VAL A 858 8.696 8.907 -1.095 1.00 0.00 C ATOM 0 H VAL A 858 9.369 8.149 -4.486 1.00 0.00 H new ATOM 0 HA VAL A 858 7.083 9.498 -3.237 1.00 0.00 H new ATOM 0 HB VAL A 858 10.011 9.845 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 858 9.198 11.532 -0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 858 8.864 12.020 -2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 858 7.555 11.366 -1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 858 9.277 9.193 -0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 858 7.635 8.912 -0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 858 8.989 7.907 -1.414 1.00 0.00 H new ATOM 129 N ILE A 859 7.379 11.233 -4.972 1.00 0.00 N ATOM 130 CA ILE A 859 7.490 12.351 -5.878 1.00 0.00 C ATOM 131 C ILE A 859 6.902 13.536 -5.128 1.00 0.00 C ATOM 132 O ILE A 859 6.145 13.334 -4.171 1.00 0.00 O ATOM 133 CB ILE A 859 6.695 12.115 -7.206 1.00 0.00 C ATOM 134 CG1 ILE A 859 7.038 10.746 -7.803 1.00 0.00 C ATOM 135 CG2 ILE A 859 7.000 13.218 -8.228 1.00 0.00 C ATOM 136 CD1 ILE A 859 6.256 10.418 -9.053 1.00 0.00 C ATOM 0 H ILE A 859 6.422 11.019 -4.691 1.00 0.00 H new ATOM 0 HA ILE A 859 8.529 12.507 -6.170 1.00 0.00 H new ATOM 0 HB ILE A 859 5.631 12.142 -6.969 1.00 0.00 H new ATOM 0 HG12 ILE A 859 8.103 10.716 -8.032 1.00 0.00 H new ATOM 0 HG13 ILE A 859 6.851 9.976 -7.055 1.00 0.00 H new ATOM 0 HG21 ILE A 859 6.436 13.033 -9.142 1.00 0.00 H new ATOM 0 HG22 ILE A 859 6.714 14.186 -7.815 1.00 0.00 H new ATOM 0 HG23 ILE A 859 8.066 13.220 -8.453 1.00 0.00 H new ATOM 0 HD11 ILE A 859 6.551 9.435 -9.419 1.00 0.00 H new ATOM 0 HD12 ILE A 859 5.190 10.415 -8.825 1.00 0.00 H new ATOM 0 HD13 ILE A 859 6.462 11.167 -9.818 1.00 0.00 H new ATOM 148 N ARG A 860 7.251 14.732 -5.479 1.00 0.00 N ATOM 149 CA ARG A 860 6.685 15.856 -4.806 1.00 0.00 C ATOM 150 C ARG A 860 5.600 16.509 -5.614 1.00 0.00 C ATOM 151 O ARG A 860 5.741 16.753 -6.817 1.00 0.00 O ATOM 152 CB ARG A 860 7.727 16.877 -4.363 1.00 0.00 C ATOM 153 CG ARG A 860 8.660 16.370 -3.282 1.00 0.00 C ATOM 154 CD ARG A 860 9.596 17.464 -2.825 1.00 0.00 C ATOM 155 NE ARG A 860 10.498 17.017 -1.764 1.00 0.00 N ATOM 156 CZ ARG A 860 11.573 17.697 -1.342 1.00 0.00 C ATOM 157 NH1 ARG A 860 11.818 18.925 -1.815 1.00 0.00 N ATOM 158 NH2 ARG A 860 12.379 17.167 -0.426 1.00 0.00 N ATOM 0 H ARG A 860 7.917 14.954 -6.219 1.00 0.00 H new ATOM 0 HA ARG A 860 6.233 15.456 -3.898 1.00 0.00 H new ATOM 0 HB2 ARG A 860 8.318 17.178 -5.228 1.00 0.00 H new ATOM 0 HB3 ARG A 860 7.216 17.769 -4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 860 8.079 16.005 -2.435 1.00 0.00 H new ATOM 0 HG3 ARG A 860 9.237 15.526 -3.660 1.00 0.00 H new ATOM 0 HD2 ARG A 860 10.183 17.815 -3.674 1.00 0.00 H new ATOM 0 HD3 ARG A 860 9.012 18.313 -2.469 1.00 0.00 H new ATOM 0 HE ARG A 860 10.295 16.125 -1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 860 11.186 19.344 -2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 860 12.636 19.442 -1.493 1.00 0.00 H new ATOM 0 HH21 ARG A 860 12.179 16.242 -0.044 1.00 0.00 H new ATOM 0 HH22 ARG A 860 13.197 17.685 -0.105 1.00 0.00 H new ATOM 172 N ASP A 861 4.513 16.739 -4.947 1.00 0.00 N ATOM 173 CA ASP A 861 3.367 17.470 -5.460 1.00 0.00 C ATOM 174 C ASP A 861 3.726 18.938 -5.556 1.00 0.00 C ATOM 175 O ASP A 861 4.780 19.356 -5.065 1.00 0.00 O ATOM 176 CB ASP A 861 2.185 17.255 -4.492 1.00 0.00 C ATOM 177 CG ASP A 861 1.026 18.216 -4.615 1.00 0.00 C ATOM 178 OD1 ASP A 861 0.227 18.107 -5.552 1.00 0.00 O ATOM 179 OD2 ASP A 861 0.930 19.113 -3.760 1.00 0.00 O ATOM 0 H ASP A 861 4.381 16.415 -3.989 1.00 0.00 H new ATOM 0 HA ASP A 861 3.086 17.116 -6.452 1.00 0.00 H new ATOM 0 HB2 ASP A 861 1.806 16.244 -4.637 1.00 0.00 H new ATOM 0 HB3 ASP A 861 2.566 17.309 -3.472 1.00 0.00 H new ATOM 184 N GLU A 862 2.848 19.704 -6.121 1.00 0.00 N ATOM 185 CA GLU A 862 3.035 21.119 -6.331 1.00 0.00 C ATOM 186 C GLU A 862 3.242 21.846 -5.013 1.00 0.00 C ATOM 187 O GLU A 862 4.074 22.745 -4.914 1.00 0.00 O ATOM 188 CB GLU A 862 1.834 21.702 -7.032 1.00 0.00 C ATOM 189 CG GLU A 862 1.514 21.048 -8.348 1.00 0.00 C ATOM 190 CD GLU A 862 0.331 21.677 -9.004 1.00 0.00 C ATOM 191 OE1 GLU A 862 0.498 22.643 -9.787 1.00 0.00 O ATOM 192 OE2 GLU A 862 -0.798 21.222 -8.759 1.00 0.00 O ATOM 0 H GLU A 862 1.951 19.359 -6.462 1.00 0.00 H new ATOM 0 HA GLU A 862 3.924 21.249 -6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 862 0.967 21.618 -6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 862 2.005 22.765 -7.199 1.00 0.00 H new ATOM 0 HG2 GLU A 862 2.378 21.120 -9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 862 1.321 19.987 -8.190 1.00 0.00 H new ATOM 199 N TRP A 863 2.530 21.424 -3.988 1.00 0.00 N ATOM 200 CA TRP A 863 2.616 22.085 -2.702 1.00 0.00 C ATOM 201 C TRP A 863 3.684 21.442 -1.842 1.00 0.00 C ATOM 202 O TRP A 863 3.921 21.842 -0.706 1.00 0.00 O ATOM 203 CB TRP A 863 1.266 22.061 -2.000 1.00 0.00 C ATOM 204 CG TRP A 863 0.196 22.640 -2.850 1.00 0.00 C ATOM 205 CD1 TRP A 863 -0.813 21.970 -3.462 1.00 0.00 C ATOM 206 CD2 TRP A 863 0.059 24.011 -3.235 1.00 0.00 C ATOM 207 NE1 TRP A 863 -1.579 22.839 -4.184 1.00 0.00 N ATOM 208 CE2 TRP A 863 -1.067 24.094 -4.070 1.00 0.00 C ATOM 209 CE3 TRP A 863 0.775 25.171 -2.950 1.00 0.00 C ATOM 210 CZ2 TRP A 863 -1.492 25.288 -4.625 1.00 0.00 C ATOM 211 CZ3 TRP A 863 0.352 26.356 -3.500 1.00 0.00 C ATOM 212 CH2 TRP A 863 -0.773 26.405 -4.331 1.00 0.00 C ATOM 0 H TRP A 863 1.889 20.631 -4.020 1.00 0.00 H new ATOM 0 HA TRP A 863 2.896 23.126 -2.866 1.00 0.00 H new ATOM 0 HB2 TRP A 863 1.009 21.034 -1.740 1.00 0.00 H new ATOM 0 HB3 TRP A 863 1.331 22.619 -1.066 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -0.985 20.906 -3.389 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -2.406 22.587 -4.725 1.00 0.00 H new ATOM 0 HE3 TRP A 863 1.644 25.139 -2.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -2.360 25.332 -5.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 0.896 27.265 -3.288 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -1.078 27.353 -4.749 1.00 0.00 H new ATOM 223 N GLY A 864 4.342 20.453 -2.405 1.00 0.00 N ATOM 224 CA GLY A 864 5.376 19.754 -1.698 1.00 0.00 C ATOM 225 C GLY A 864 4.843 18.552 -0.980 1.00 0.00 C ATOM 226 O GLY A 864 5.505 17.999 -0.107 1.00 0.00 O ATOM 0 H GLY A 864 4.174 20.119 -3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 864 6.151 19.445 -2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 864 5.845 20.427 -0.981 1.00 0.00 H new ATOM 230 N ASN A 865 3.633 18.154 -1.323 1.00 0.00 N ATOM 231 CA ASN A 865 3.036 16.973 -0.724 1.00 0.00 C ATOM 232 C ASN A 865 3.696 15.748 -1.295 1.00 0.00 C ATOM 233 O ASN A 865 4.250 15.797 -2.400 1.00 0.00 O ATOM 234 CB ASN A 865 1.504 16.902 -0.929 1.00 0.00 C ATOM 235 CG ASN A 865 0.762 18.063 -0.302 1.00 0.00 C ATOM 236 OD1 ASN A 865 0.493 18.062 0.894 1.00 0.00 O ATOM 237 ND2 ASN A 865 0.370 19.025 -1.096 1.00 0.00 N ATOM 0 H ASN A 865 3.046 18.627 -2.010 1.00 0.00 H new ATOM 0 HA ASN A 865 3.199 17.028 0.352 1.00 0.00 H new ATOM 0 HB2 ASN A 865 1.288 16.876 -1.997 1.00 0.00 H new ATOM 0 HB3 ASN A 865 1.130 15.970 -0.505 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -0.175 19.803 -0.724 1.00 0.00 H new ATOM 0 HD22 ASN A 865 0.610 18.998 -2.087 1.00 0.00 H new ATOM 244 N GLN A 866 3.665 14.669 -0.577 1.00 0.00 N ATOM 245 CA GLN A 866 4.314 13.479 -1.037 1.00 0.00 C ATOM 246 C GLN A 866 3.408 12.636 -1.881 1.00 0.00 C ATOM 247 O GLN A 866 2.388 12.112 -1.416 1.00 0.00 O ATOM 248 CB GLN A 866 4.925 12.681 0.099 1.00 0.00 C ATOM 249 CG GLN A 866 6.115 13.375 0.721 1.00 0.00 C ATOM 250 CD GLN A 866 6.736 12.593 1.857 1.00 0.00 C ATOM 251 OE1 GLN A 866 6.055 11.850 2.576 1.00 0.00 O ATOM 252 NE2 GLN A 866 8.024 12.743 2.027 1.00 0.00 N ATOM 0 H GLN A 866 3.199 14.586 0.327 1.00 0.00 H new ATOM 0 HA GLN A 866 5.137 13.803 -1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 866 4.169 12.508 0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 866 5.232 11.703 -0.272 1.00 0.00 H new ATOM 0 HG2 GLN A 866 6.869 13.547 -0.047 1.00 0.00 H new ATOM 0 HG3 GLN A 866 5.805 14.353 1.089 1.00 0.00 H new ATOM 0 HE21 GLN A 866 8.550 13.365 1.413 1.00 0.00 H new ATOM 0 HE22 GLN A 866 8.502 12.238 2.773 1.00 0.00 H new ATOM 261 N ILE A 867 3.760 12.552 -3.115 1.00 0.00 N ATOM 262 CA ILE A 867 3.078 11.725 -4.053 1.00 0.00 C ATOM 263 C ILE A 867 3.574 10.329 -3.857 1.00 0.00 C ATOM 264 O ILE A 867 4.777 10.048 -4.003 1.00 0.00 O ATOM 265 CB ILE A 867 3.344 12.168 -5.500 1.00 0.00 C ATOM 266 CG1 ILE A 867 2.762 13.552 -5.781 1.00 0.00 C ATOM 267 CG2 ILE A 867 2.827 11.146 -6.505 1.00 0.00 C ATOM 268 CD1 ILE A 867 1.253 13.621 -5.659 1.00 0.00 C ATOM 0 H ILE A 867 4.547 13.066 -3.512 1.00 0.00 H new ATOM 0 HA ILE A 867 2.003 11.796 -3.887 1.00 0.00 H new ATOM 0 HB ILE A 867 4.426 12.232 -5.619 1.00 0.00 H new ATOM 0 HG12 ILE A 867 3.206 14.269 -5.090 1.00 0.00 H new ATOM 0 HG13 ILE A 867 3.050 13.859 -6.787 1.00 0.00 H new ATOM 0 HG21 ILE A 867 3.033 11.494 -7.517 1.00 0.00 H new ATOM 0 HG22 ILE A 867 3.325 10.191 -6.341 1.00 0.00 H new ATOM 0 HG23 ILE A 867 1.752 11.021 -6.376 1.00 0.00 H new ATOM 0 HD11 ILE A 867 0.917 14.635 -5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 867 0.799 12.930 -6.369 1.00 0.00 H new ATOM 0 HD13 ILE A 867 0.957 13.347 -4.646 1.00 0.00 H new ATOM 280 N TRP A 868 2.679 9.486 -3.507 1.00 0.00 N ATOM 281 CA TRP A 868 2.976 8.149 -3.206 1.00 0.00 C ATOM 282 C TRP A 868 2.837 7.304 -4.419 1.00 0.00 C ATOM 283 O TRP A 868 1.926 7.499 -5.213 1.00 0.00 O ATOM 284 CB TRP A 868 2.029 7.655 -2.148 1.00 0.00 C ATOM 285 CG TRP A 868 2.743 7.134 -0.978 1.00 0.00 C ATOM 286 CD1 TRP A 868 3.204 5.883 -0.812 1.00 0.00 C ATOM 287 CD2 TRP A 868 3.099 7.866 0.179 1.00 0.00 C ATOM 288 NE1 TRP A 868 3.847 5.774 0.403 1.00 0.00 N ATOM 289 CE2 TRP A 868 3.786 6.993 1.034 1.00 0.00 C ATOM 290 CE3 TRP A 868 2.898 9.186 0.572 1.00 0.00 C ATOM 291 CZ2 TRP A 868 4.277 7.399 2.263 1.00 0.00 C ATOM 292 CZ3 TRP A 868 3.384 9.591 1.793 1.00 0.00 C ATOM 293 CH2 TRP A 868 4.067 8.700 2.626 1.00 0.00 C ATOM 0 H TRP A 868 1.690 9.720 -3.421 1.00 0.00 H new ATOM 0 HA TRP A 868 4.003 8.088 -2.846 1.00 0.00 H new ATOM 0 HB2 TRP A 868 1.372 8.468 -1.840 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.395 6.873 -2.565 1.00 0.00 H new ATOM 0 HD1 TRP A 868 3.088 5.081 -1.525 1.00 0.00 H new ATOM 0 HE1 TRP A 868 4.292 4.933 0.770 1.00 0.00 H new ATOM 0 HE3 TRP A 868 2.371 9.878 -0.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 4.805 6.714 2.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 3.236 10.612 2.113 1.00 0.00 H new ATOM 0 HH2 TRP A 868 4.438 9.048 3.579 1.00 0.00 H new ATOM 304 N ILE A 869 3.749 6.416 -4.591 1.00 0.00 N ATOM 305 CA ILE A 869 3.659 5.465 -5.637 1.00 0.00 C ATOM 306 C ILE A 869 3.248 4.142 -5.039 1.00 0.00 C ATOM 307 O ILE A 869 3.841 3.686 -4.057 1.00 0.00 O ATOM 308 CB ILE A 869 4.980 5.352 -6.440 1.00 0.00 C ATOM 309 CG1 ILE A 869 5.238 6.678 -7.175 1.00 0.00 C ATOM 310 CG2 ILE A 869 4.956 4.166 -7.406 1.00 0.00 C ATOM 311 CD1 ILE A 869 6.416 6.682 -8.104 1.00 0.00 C ATOM 0 H ILE A 869 4.581 6.329 -4.008 1.00 0.00 H new ATOM 0 HA ILE A 869 2.908 5.790 -6.357 1.00 0.00 H new ATOM 0 HB ILE A 869 5.800 5.165 -5.747 1.00 0.00 H new ATOM 0 HG12 ILE A 869 4.346 6.937 -7.746 1.00 0.00 H new ATOM 0 HG13 ILE A 869 5.380 7.463 -6.433 1.00 0.00 H new ATOM 0 HG21 ILE A 869 5.899 4.121 -7.950 1.00 0.00 H new ATOM 0 HG22 ILE A 869 4.816 3.242 -6.845 1.00 0.00 H new ATOM 0 HG23 ILE A 869 4.135 4.289 -8.113 1.00 0.00 H new ATOM 0 HD11 ILE A 869 6.508 7.663 -8.570 1.00 0.00 H new ATOM 0 HD12 ILE A 869 7.323 6.460 -7.542 1.00 0.00 H new ATOM 0 HD13 ILE A 869 6.273 5.926 -8.876 1.00 0.00 H new ATOM 323 N CYS A 870 2.209 3.582 -5.598 1.00 0.00 N ATOM 324 CA CYS A 870 1.644 2.344 -5.183 1.00 0.00 C ATOM 325 C CYS A 870 2.493 1.202 -5.749 1.00 0.00 C ATOM 326 O CYS A 870 2.556 1.016 -6.963 1.00 0.00 O ATOM 327 CB CYS A 870 0.199 2.315 -5.726 1.00 0.00 C ATOM 328 SG CYS A 870 -0.825 0.830 -5.463 1.00 0.00 S ATOM 0 H CYS A 870 1.719 4.001 -6.388 1.00 0.00 H new ATOM 0 HA CYS A 870 1.627 2.231 -4.099 1.00 0.00 H new ATOM 0 HB2 CYS A 870 -0.332 3.160 -5.289 1.00 0.00 H new ATOM 0 HB3 CYS A 870 0.249 2.492 -6.800 1.00 0.00 H new ATOM 0 HG CYS A 870 -1.680 0.715 -6.435 1.00 0.00 H new ATOM 333 N PRO A 871 3.180 0.450 -4.881 1.00 0.00 N ATOM 334 CA PRO A 871 4.029 -0.701 -5.275 1.00 0.00 C ATOM 335 C PRO A 871 3.254 -1.826 -5.986 1.00 0.00 C ATOM 336 O PRO A 871 3.847 -2.798 -6.452 1.00 0.00 O ATOM 337 CB PRO A 871 4.578 -1.217 -3.939 1.00 0.00 C ATOM 338 CG PRO A 871 4.447 -0.069 -3.002 1.00 0.00 C ATOM 339 CD PRO A 871 3.236 0.695 -3.437 1.00 0.00 C ATOM 0 HA PRO A 871 4.790 -0.392 -5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 871 4.014 -2.081 -3.587 1.00 0.00 H new ATOM 0 HB3 PRO A 871 5.617 -1.533 -4.034 1.00 0.00 H new ATOM 0 HG2 PRO A 871 4.339 -0.417 -1.975 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.336 0.561 -3.033 1.00 0.00 H new ATOM 0 HD2 PRO A 871 2.336 0.341 -2.934 1.00 0.00 H new ATOM 0 HD3 PRO A 871 3.329 1.758 -3.213 1.00 0.00 H new ATOM 347 N GLY A 872 1.941 -1.695 -6.047 1.00 0.00 N ATOM 348 CA GLY A 872 1.139 -2.674 -6.720 1.00 0.00 C ATOM 349 C GLY A 872 1.042 -2.396 -8.207 1.00 0.00 C ATOM 350 O GLY A 872 0.805 -3.314 -9.006 1.00 0.00 O ATOM 0 H GLY A 872 1.419 -0.920 -5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 872 1.566 -3.664 -6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 872 0.139 -2.685 -6.286 1.00 0.00 H new ATOM 354 N CYS A 873 1.246 -1.146 -8.591 1.00 0.00 N ATOM 355 CA CYS A 873 1.122 -0.754 -9.978 1.00 0.00 C ATOM 356 C CYS A 873 2.397 -0.093 -10.500 1.00 0.00 C ATOM 357 O CYS A 873 2.750 -0.245 -11.677 1.00 0.00 O ATOM 358 CB CYS A 873 -0.028 0.231 -10.077 1.00 0.00 C ATOM 359 SG CYS A 873 0.139 1.646 -8.959 1.00 0.00 S ATOM 0 H CYS A 873 1.498 -0.387 -7.958 1.00 0.00 H new ATOM 0 HA CYS A 873 0.944 -1.643 -10.583 1.00 0.00 H new ATOM 0 HB2 CYS A 873 -0.099 0.594 -11.102 1.00 0.00 H new ATOM 0 HB3 CYS A 873 -0.961 -0.288 -9.858 1.00 0.00 H new ATOM 0 HG CYS A 873 1.141 1.448 -8.155 1.00 0.00 H new ATOM 364 N ASN A 874 3.062 0.635 -9.600 1.00 0.00 N ATOM 365 CA ASN A 874 4.234 1.481 -9.870 1.00 0.00 C ATOM 366 C ASN A 874 3.782 2.825 -10.402 1.00 0.00 C ATOM 367 O ASN A 874 4.547 3.555 -11.040 1.00 0.00 O ATOM 368 CB ASN A 874 5.310 0.834 -10.788 1.00 0.00 C ATOM 369 CG ASN A 874 6.009 -0.350 -10.151 1.00 0.00 C ATOM 370 OD1 ASN A 874 7.005 -0.192 -9.451 1.00 0.00 O ATOM 371 ND2 ASN A 874 5.518 -1.540 -10.404 1.00 0.00 N ATOM 0 H ASN A 874 2.788 0.654 -8.618 1.00 0.00 H new ATOM 0 HA ASN A 874 4.743 1.612 -8.915 1.00 0.00 H new ATOM 0 HB2 ASN A 874 4.839 0.512 -11.717 1.00 0.00 H new ATOM 0 HB3 ASN A 874 6.053 1.587 -11.051 1.00 0.00 H new ATOM 0 HD21 ASN A 874 5.966 -2.370 -10.015 1.00 0.00 H new ATOM 0 HD22 ASN A 874 4.689 -1.635 -10.990 1.00 0.00 H new ATOM 378 N LYS A 875 2.538 3.168 -10.113 1.00 0.00 N ATOM 379 CA LYS A 875 1.981 4.446 -10.506 1.00 0.00 C ATOM 380 C LYS A 875 1.920 5.373 -9.309 1.00 0.00 C ATOM 381 O LYS A 875 1.599 4.943 -8.180 1.00 0.00 O ATOM 382 CB LYS A 875 0.561 4.294 -11.034 1.00 0.00 C ATOM 383 CG LYS A 875 0.403 3.366 -12.207 1.00 0.00 C ATOM 384 CD LYS A 875 -1.075 3.100 -12.449 1.00 0.00 C ATOM 385 CE LYS A 875 -1.305 2.025 -13.485 1.00 0.00 C ATOM 386 NZ LYS A 875 -2.740 1.696 -13.612 1.00 0.00 N ATOM 0 H LYS A 875 1.890 2.569 -9.601 1.00 0.00 H new ATOM 0 HA LYS A 875 2.624 4.851 -11.287 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -0.074 3.937 -10.223 1.00 0.00 H new ATOM 0 HB3 LYS A 875 0.191 5.279 -11.319 1.00 0.00 H new ATOM 0 HG2 LYS A 875 0.854 3.807 -13.096 1.00 0.00 H new ATOM 0 HG3 LYS A 875 0.925 2.429 -12.016 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -1.546 2.804 -11.512 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -1.559 4.022 -12.772 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -0.920 2.358 -14.449 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -0.748 1.129 -13.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -2.864 0.955 -14.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -3.100 1.355 -12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -3.267 2.546 -13.897 1.00 0.00 H new ATOM 400 N PRO A 876 2.246 6.636 -9.522 1.00 0.00 N ATOM 401 CA PRO A 876 2.105 7.664 -8.513 1.00 0.00 C ATOM 402 C PRO A 876 0.648 8.024 -8.318 1.00 0.00 C ATOM 403 O PRO A 876 -0.179 7.828 -9.216 1.00 0.00 O ATOM 404 CB PRO A 876 2.858 8.851 -9.089 1.00 0.00 C ATOM 405 CG PRO A 876 2.877 8.640 -10.560 1.00 0.00 C ATOM 406 CD PRO A 876 2.800 7.156 -10.778 1.00 0.00 C ATOM 0 HA PRO A 876 2.484 7.347 -7.541 1.00 0.00 H new ATOM 0 HB2 PRO A 876 2.364 9.789 -8.834 1.00 0.00 H new ATOM 0 HB3 PRO A 876 3.870 8.905 -8.688 1.00 0.00 H new ATOM 0 HG2 PRO A 876 2.037 9.146 -11.036 1.00 0.00 H new ATOM 0 HG3 PRO A 876 3.786 9.050 -10.999 1.00 0.00 H new ATOM 0 HD2 PRO A 876 2.161 6.911 -11.627 1.00 0.00 H new ATOM 0 HD3 PRO A 876 3.783 6.732 -10.985 1.00 0.00 H new ATOM 414 N ASP A 877 0.322 8.501 -7.155 1.00 0.00 N ATOM 415 CA ASP A 877 -1.020 8.891 -6.865 1.00 0.00 C ATOM 416 C ASP A 877 -1.345 10.254 -7.433 1.00 0.00 C ATOM 417 O ASP A 877 -0.485 11.133 -7.512 1.00 0.00 O ATOM 418 CB ASP A 877 -1.337 8.826 -5.376 1.00 0.00 C ATOM 419 CG ASP A 877 -2.777 9.192 -5.134 1.00 0.00 C ATOM 420 OD1 ASP A 877 -3.665 8.628 -5.811 1.00 0.00 O ATOM 421 OD2 ASP A 877 -3.044 10.115 -4.359 1.00 0.00 O ATOM 0 H ASP A 877 0.978 8.630 -6.384 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.663 8.163 -7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -1.141 7.822 -4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -0.684 9.506 -4.828 1.00 0.00 H new ATOM 426 N ASP A 878 -2.579 10.411 -7.840 1.00 0.00 N ATOM 427 CA ASP A 878 -3.058 11.646 -8.441 1.00 0.00 C ATOM 428 C ASP A 878 -3.989 12.365 -7.489 1.00 0.00 C ATOM 429 O ASP A 878 -4.465 13.463 -7.782 1.00 0.00 O ATOM 430 CB ASP A 878 -3.829 11.356 -9.740 1.00 0.00 C ATOM 431 CG ASP A 878 -2.998 10.707 -10.810 1.00 0.00 C ATOM 432 OD1 ASP A 878 -2.282 11.413 -11.533 1.00 0.00 O ATOM 433 OD2 ASP A 878 -3.048 9.475 -10.965 1.00 0.00 O ATOM 0 H ASP A 878 -3.291 9.684 -7.766 1.00 0.00 H new ATOM 0 HA ASP A 878 -2.189 12.267 -8.659 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -4.677 10.711 -9.511 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -4.235 12.291 -10.126 1.00 0.00 H new ATOM 438 N GLY A 879 -4.206 11.774 -6.343 1.00 0.00 N ATOM 439 CA GLY A 879 -5.181 12.263 -5.412 1.00 0.00 C ATOM 440 C GLY A 879 -6.375 11.346 -5.436 1.00 0.00 C ATOM 441 O GLY A 879 -7.515 11.782 -5.631 1.00 0.00 O ATOM 0 H GLY A 879 -3.709 10.939 -6.031 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -4.757 12.305 -4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -5.479 13.278 -5.675 1.00 0.00 H new ATOM 445 N SER A 880 -6.114 10.069 -5.279 1.00 0.00 N ATOM 446 CA SER A 880 -7.145 9.063 -5.367 1.00 0.00 C ATOM 447 C SER A 880 -7.410 8.499 -3.971 1.00 0.00 C ATOM 448 O SER A 880 -6.604 8.723 -3.057 1.00 0.00 O ATOM 449 CB SER A 880 -6.635 7.924 -6.255 1.00 0.00 C ATOM 450 OG SER A 880 -5.828 8.423 -7.318 1.00 0.00 O ATOM 0 H SER A 880 -5.183 9.700 -5.087 1.00 0.00 H new ATOM 0 HA SER A 880 -8.057 9.496 -5.778 1.00 0.00 H new ATOM 0 HB2 SER A 880 -6.057 7.222 -5.654 1.00 0.00 H new ATOM 0 HB3 SER A 880 -7.481 7.372 -6.665 1.00 0.00 H new ATOM 0 HG SER A 880 -4.899 8.499 -7.015 1.00 0.00 H new ATOM 456 N PRO A 881 -8.539 7.788 -3.764 1.00 0.00 N ATOM 457 CA PRO A 881 -8.779 7.079 -2.517 1.00 0.00 C ATOM 458 C PRO A 881 -7.778 5.939 -2.398 1.00 0.00 C ATOM 459 O PRO A 881 -7.738 5.027 -3.248 1.00 0.00 O ATOM 460 CB PRO A 881 -10.208 6.524 -2.661 1.00 0.00 C ATOM 461 CG PRO A 881 -10.808 7.277 -3.799 1.00 0.00 C ATOM 462 CD PRO A 881 -9.666 7.637 -4.703 1.00 0.00 C ATOM 0 HA PRO A 881 -8.672 7.709 -1.634 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -10.196 5.453 -2.861 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -10.781 6.671 -1.746 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -11.545 6.669 -4.324 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -11.324 8.170 -3.447 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -9.475 6.859 -5.442 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -9.860 8.558 -5.253 1.00 0.00 H new ATOM 470 N MET A 882 -6.919 6.024 -1.424 1.00 0.00 N ATOM 471 CA MET A 882 -5.914 5.018 -1.238 1.00 0.00 C ATOM 472 C MET A 882 -6.167 4.316 0.073 1.00 0.00 C ATOM 473 O MET A 882 -6.976 4.776 0.885 1.00 0.00 O ATOM 474 CB MET A 882 -4.496 5.625 -1.255 1.00 0.00 C ATOM 475 CG MET A 882 -4.195 6.491 -2.469 1.00 0.00 C ATOM 476 SD MET A 882 -2.480 7.058 -2.529 1.00 0.00 S ATOM 477 CE MET A 882 -1.638 5.595 -3.123 1.00 0.00 C ATOM 0 H MET A 882 -6.894 6.783 -0.743 1.00 0.00 H new ATOM 0 HA MET A 882 -5.971 4.306 -2.061 1.00 0.00 H new ATOM 0 HB2 MET A 882 -4.360 6.224 -0.355 1.00 0.00 H new ATOM 0 HB3 MET A 882 -3.767 4.815 -1.212 1.00 0.00 H new ATOM 0 HG2 MET A 882 -4.416 5.926 -3.375 1.00 0.00 H new ATOM 0 HG3 MET A 882 -4.857 7.357 -2.463 1.00 0.00 H new ATOM 0 HE1 MET A 882 -0.654 5.528 -2.659 1.00 0.00 H new ATOM 0 HE2 MET A 882 -2.221 4.710 -2.866 1.00 0.00 H new ATOM 0 HE3 MET A 882 -1.526 5.654 -4.206 1.00 0.00 H new ATOM 487 N ILE A 883 -5.510 3.225 0.281 1.00 0.00 N ATOM 488 CA ILE A 883 -5.671 2.464 1.484 1.00 0.00 C ATOM 489 C ILE A 883 -4.296 2.105 2.056 1.00 0.00 C ATOM 490 O ILE A 883 -3.344 1.905 1.297 1.00 0.00 O ATOM 491 CB ILE A 883 -6.548 1.195 1.234 1.00 0.00 C ATOM 492 CG1 ILE A 883 -6.718 0.386 2.534 1.00 0.00 C ATOM 493 CG2 ILE A 883 -5.986 0.342 0.080 1.00 0.00 C ATOM 494 CD1 ILE A 883 -7.734 -0.719 2.455 1.00 0.00 C ATOM 0 H ILE A 883 -4.841 2.830 -0.380 1.00 0.00 H new ATOM 0 HA ILE A 883 -6.199 3.070 2.221 1.00 0.00 H new ATOM 0 HB ILE A 883 -7.541 1.520 0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 883 -5.754 -0.043 2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 883 -7.003 1.067 3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 883 -6.619 -0.533 -0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 883 -5.967 0.935 -0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 883 -4.974 0.020 0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 883 -7.787 -1.234 3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 883 -8.711 -0.299 2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 883 -7.442 -1.427 1.679 1.00 0.00 H new ATOM 506 N GLY A 884 -4.185 2.097 3.366 1.00 0.00 N ATOM 507 CA GLY A 884 -2.931 1.778 4.008 1.00 0.00 C ATOM 508 C GLY A 884 -2.913 0.356 4.523 1.00 0.00 C ATOM 509 O GLY A 884 -3.952 -0.175 4.943 1.00 0.00 O ATOM 0 H GLY A 884 -4.949 2.308 4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 884 -2.114 1.919 3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 884 -2.760 2.467 4.835 1.00 0.00 H new ATOM 513 N CYS A 885 -1.752 -0.252 4.500 1.00 0.00 N ATOM 514 CA CYS A 885 -1.570 -1.622 4.932 1.00 0.00 C ATOM 515 C CYS A 885 -1.477 -1.682 6.463 1.00 0.00 C ATOM 516 O CYS A 885 -1.419 -0.648 7.137 1.00 0.00 O ATOM 517 CB CYS A 885 -0.275 -2.167 4.274 1.00 0.00 C ATOM 518 SG CYS A 885 0.228 -3.879 4.680 1.00 0.00 S ATOM 0 H CYS A 885 -0.894 0.194 4.177 1.00 0.00 H new ATOM 0 HA CYS A 885 -2.419 -2.235 4.629 1.00 0.00 H new ATOM 0 HB2 CYS A 885 -0.394 -2.100 3.193 1.00 0.00 H new ATOM 0 HB3 CYS A 885 0.545 -1.503 4.546 1.00 0.00 H new ATOM 0 HG CYS A 885 1.462 -4.066 4.318 1.00 0.00 H new ATOM 523 N ASP A 886 -1.501 -2.871 6.999 1.00 0.00 N ATOM 524 CA ASP A 886 -1.307 -3.062 8.427 1.00 0.00 C ATOM 525 C ASP A 886 0.180 -3.222 8.683 1.00 0.00 C ATOM 526 O ASP A 886 0.701 -2.894 9.760 1.00 0.00 O ATOM 527 CB ASP A 886 -2.074 -4.304 8.924 1.00 0.00 C ATOM 528 CG ASP A 886 -1.964 -4.525 10.433 1.00 0.00 C ATOM 529 OD1 ASP A 886 -2.721 -3.862 11.205 1.00 0.00 O ATOM 530 OD2 ASP A 886 -1.145 -5.359 10.881 1.00 0.00 O ATOM 0 H ASP A 886 -1.653 -3.732 6.473 1.00 0.00 H new ATOM 0 HA ASP A 886 -1.693 -2.200 8.970 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -3.126 -4.204 8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -1.696 -5.186 8.407 1.00 0.00 H new ATOM 535 N ASP A 887 0.878 -3.665 7.654 1.00 0.00 N ATOM 536 CA ASP A 887 2.302 -3.899 7.748 1.00 0.00 C ATOM 537 C ASP A 887 3.073 -2.737 7.124 1.00 0.00 C ATOM 538 O ASP A 887 4.172 -2.396 7.564 1.00 0.00 O ATOM 539 CB ASP A 887 2.673 -5.222 7.078 1.00 0.00 C ATOM 540 CG ASP A 887 4.096 -5.636 7.354 1.00 0.00 C ATOM 541 OD1 ASP A 887 4.360 -6.209 8.432 1.00 0.00 O ATOM 542 OD2 ASP A 887 4.972 -5.435 6.512 1.00 0.00 O ATOM 0 H ASP A 887 0.476 -3.870 6.739 1.00 0.00 H new ATOM 0 HA ASP A 887 2.576 -3.965 8.801 1.00 0.00 H new ATOM 0 HB2 ASP A 887 1.998 -6.003 7.427 1.00 0.00 H new ATOM 0 HB3 ASP A 887 2.527 -5.133 6.001 1.00 0.00 H new ATOM 547 N CYS A 888 2.494 -2.121 6.111 1.00 0.00 N ATOM 548 CA CYS A 888 3.104 -0.964 5.486 1.00 0.00 C ATOM 549 C CYS A 888 2.358 0.304 5.931 1.00 0.00 C ATOM 550 O CYS A 888 1.162 0.267 6.206 1.00 0.00 O ATOM 551 CB CYS A 888 3.025 -1.057 3.935 1.00 0.00 C ATOM 552 SG CYS A 888 3.550 -2.632 3.193 1.00 0.00 S ATOM 0 H CYS A 888 1.602 -2.403 5.704 1.00 0.00 H new ATOM 0 HA CYS A 888 4.151 -0.928 5.788 1.00 0.00 H new ATOM 0 HB2 CYS A 888 1.996 -0.863 3.633 1.00 0.00 H new ATOM 0 HB3 CYS A 888 3.637 -0.260 3.513 1.00 0.00 H new ATOM 0 HG CYS A 888 2.554 -3.160 2.546 1.00 0.00 H new ATOM 557 N ASP A 889 3.063 1.395 6.007 1.00 0.00 N ATOM 558 CA ASP A 889 2.446 2.703 6.272 1.00 0.00 C ATOM 559 C ASP A 889 2.136 3.355 4.928 1.00 0.00 C ATOM 560 O ASP A 889 1.428 4.363 4.828 1.00 0.00 O ATOM 561 CB ASP A 889 3.386 3.587 7.127 1.00 0.00 C ATOM 562 CG ASP A 889 2.897 5.022 7.297 1.00 0.00 C ATOM 563 OD1 ASP A 889 1.983 5.287 8.124 1.00 0.00 O ATOM 564 OD2 ASP A 889 3.434 5.920 6.613 1.00 0.00 O ATOM 0 H ASP A 889 4.076 1.425 5.891 1.00 0.00 H new ATOM 0 HA ASP A 889 1.524 2.581 6.841 1.00 0.00 H new ATOM 0 HB2 ASP A 889 3.500 3.133 8.111 1.00 0.00 H new ATOM 0 HB3 ASP A 889 4.374 3.602 6.666 1.00 0.00 H new ATOM 569 N ASP A 890 2.663 2.726 3.891 1.00 0.00 N ATOM 570 CA ASP A 890 2.485 3.158 2.515 1.00 0.00 C ATOM 571 C ASP A 890 1.052 3.014 2.091 1.00 0.00 C ATOM 572 O ASP A 890 0.324 2.129 2.572 1.00 0.00 O ATOM 573 CB ASP A 890 3.364 2.355 1.547 1.00 0.00 C ATOM 574 CG ASP A 890 4.833 2.583 1.740 1.00 0.00 C ATOM 575 OD1 ASP A 890 5.361 3.597 1.219 1.00 0.00 O ATOM 576 OD2 ASP A 890 5.493 1.760 2.401 1.00 0.00 O ATOM 0 H ASP A 890 3.236 1.887 3.983 1.00 0.00 H new ATOM 0 HA ASP A 890 2.781 4.206 2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 890 3.150 1.293 1.671 1.00 0.00 H new ATOM 0 HB3 ASP A 890 3.096 2.617 0.523 1.00 0.00 H new ATOM 581 N TRP A 891 0.655 3.864 1.192 1.00 0.00 N ATOM 582 CA TRP A 891 -0.684 3.869 0.687 1.00 0.00 C ATOM 583 C TRP A 891 -0.723 3.197 -0.665 1.00 0.00 C ATOM 584 O TRP A 891 0.149 3.422 -1.510 1.00 0.00 O ATOM 585 CB TRP A 891 -1.226 5.299 0.597 1.00 0.00 C ATOM 586 CG TRP A 891 -1.410 5.961 1.931 1.00 0.00 C ATOM 587 CD1 TRP A 891 -0.454 6.570 2.686 1.00 0.00 C ATOM 588 CD2 TRP A 891 -2.635 6.093 2.661 1.00 0.00 C ATOM 589 NE1 TRP A 891 -1.011 7.050 3.849 1.00 0.00 N ATOM 590 CE2 TRP A 891 -2.342 6.777 3.851 1.00 0.00 C ATOM 591 CE3 TRP A 891 -3.948 5.697 2.425 1.00 0.00 C ATOM 592 CZ2 TRP A 891 -3.316 7.070 4.798 1.00 0.00 C ATOM 593 CZ3 TRP A 891 -4.913 5.990 3.365 1.00 0.00 C ATOM 594 CH2 TRP A 891 -4.592 6.672 4.537 1.00 0.00 C ATOM 0 H TRP A 891 1.257 4.580 0.785 1.00 0.00 H new ATOM 0 HA TRP A 891 -1.321 3.313 1.375 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -0.544 5.899 -0.005 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -2.182 5.283 0.075 1.00 0.00 H new ATOM 0 HD1 TRP A 891 0.587 6.662 2.412 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -0.505 7.534 4.591 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -4.207 5.168 1.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -3.070 7.595 5.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -5.934 5.686 3.190 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -5.371 6.889 5.253 1.00 0.00 H new ATOM 605 N TYR A 892 -1.698 2.361 -0.849 1.00 0.00 N ATOM 606 CA TYR A 892 -1.897 1.632 -2.078 1.00 0.00 C ATOM 607 C TYR A 892 -3.210 2.079 -2.688 1.00 0.00 C ATOM 608 O TYR A 892 -4.114 2.489 -1.964 1.00 0.00 O ATOM 609 CB TYR A 892 -1.903 0.112 -1.791 1.00 0.00 C ATOM 610 CG TYR A 892 -0.574 -0.419 -1.257 1.00 0.00 C ATOM 611 CD1 TYR A 892 -0.175 -0.182 0.060 1.00 0.00 C ATOM 612 CD2 TYR A 892 0.285 -1.135 -2.074 1.00 0.00 C ATOM 613 CE1 TYR A 892 1.036 -0.638 0.537 1.00 0.00 C ATOM 614 CE2 TYR A 892 1.497 -1.603 -1.598 1.00 0.00 C ATOM 615 CZ TYR A 892 1.869 -1.345 -0.295 1.00 0.00 C ATOM 616 OH TYR A 892 3.086 -1.792 0.175 1.00 0.00 O ATOM 0 H TYR A 892 -2.398 2.157 -0.136 1.00 0.00 H new ATOM 0 HA TYR A 892 -1.087 1.834 -2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 892 -2.689 -0.109 -1.068 1.00 0.00 H new ATOM 0 HB3 TYR A 892 -2.154 -0.421 -2.708 1.00 0.00 H new ATOM 0 HD1 TYR A 892 -0.829 0.370 0.719 1.00 0.00 H new ATOM 0 HD2 TYR A 892 0.005 -1.331 -3.098 1.00 0.00 H new ATOM 0 HE1 TYR A 892 1.327 -0.440 1.558 1.00 0.00 H new ATOM 0 HE2 TYR A 892 2.150 -2.169 -2.245 1.00 0.00 H new ATOM 0 HH TYR A 892 3.013 -1.996 1.131 1.00 0.00 H new ATOM 626 N HIS A 893 -3.322 2.029 -3.989 1.00 0.00 N ATOM 627 CA HIS A 893 -4.546 2.497 -4.660 1.00 0.00 C ATOM 628 C HIS A 893 -5.639 1.458 -4.574 1.00 0.00 C ATOM 629 O HIS A 893 -5.372 0.274 -4.725 1.00 0.00 O ATOM 630 CB HIS A 893 -4.317 2.811 -6.145 1.00 0.00 C ATOM 631 CG HIS A 893 -3.371 3.920 -6.454 1.00 0.00 C ATOM 632 ND1 HIS A 893 -2.193 3.685 -7.133 1.00 0.00 N ATOM 633 CD2 HIS A 893 -3.499 5.244 -6.235 1.00 0.00 C ATOM 634 CE1 HIS A 893 -1.643 4.888 -7.309 1.00 0.00 C ATOM 635 NE2 HIS A 893 -2.404 5.840 -6.780 1.00 0.00 N ATOM 0 H HIS A 893 -2.599 1.676 -4.616 1.00 0.00 H new ATOM 0 HA HIS A 893 -4.839 3.410 -4.142 1.00 0.00 H new ATOM 0 HB2 HIS A 893 -3.953 1.907 -6.632 1.00 0.00 H new ATOM 0 HB3 HIS A 893 -5.281 3.050 -6.595 1.00 0.00 H new ATOM 0 HD1 HIS A 893 -1.822 2.784 -7.436 1.00 0.00 H new ATOM 0 HD2 HIS A 893 -4.314 5.737 -5.725 1.00 0.00 H new ATOM 0 HE1 HIS A 893 -0.705 5.064 -7.814 1.00 0.00 H new ATOM 643 N TRP A 894 -6.869 1.908 -4.347 1.00 0.00 N ATOM 644 CA TRP A 894 -8.045 1.021 -4.324 1.00 0.00 C ATOM 645 C TRP A 894 -8.171 0.129 -5.587 1.00 0.00 C ATOM 646 O TRP A 894 -8.283 -1.093 -5.457 1.00 0.00 O ATOM 647 CB TRP A 894 -9.345 1.797 -4.080 1.00 0.00 C ATOM 648 CG TRP A 894 -9.582 2.206 -2.660 1.00 0.00 C ATOM 649 CD1 TRP A 894 -8.678 2.258 -1.643 1.00 0.00 C ATOM 650 CD2 TRP A 894 -10.826 2.618 -2.107 1.00 0.00 C ATOM 651 NE1 TRP A 894 -9.297 2.671 -0.488 1.00 0.00 N ATOM 652 CE2 TRP A 894 -10.613 2.903 -0.751 1.00 0.00 C ATOM 653 CE3 TRP A 894 -12.100 2.770 -2.635 1.00 0.00 C ATOM 654 CZ2 TRP A 894 -11.631 3.336 0.084 1.00 0.00 C ATOM 655 CZ3 TRP A 894 -13.115 3.199 -1.811 1.00 0.00 C ATOM 656 CH2 TRP A 894 -12.875 3.478 -0.464 1.00 0.00 C ATOM 0 H TRP A 894 -7.086 2.889 -4.174 1.00 0.00 H new ATOM 0 HA TRP A 894 -7.881 0.350 -3.481 1.00 0.00 H new ATOM 0 HB2 TRP A 894 -9.339 2.691 -4.703 1.00 0.00 H new ATOM 0 HB3 TRP A 894 -10.184 1.184 -4.410 1.00 0.00 H new ATOM 0 HD1 TRP A 894 -7.630 2.011 -1.731 1.00 0.00 H new ATOM 0 HE1 TRP A 894 -8.845 2.785 0.419 1.00 0.00 H new ATOM 0 HE3 TRP A 894 -12.292 2.555 -3.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 -11.448 3.553 1.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 -14.111 3.322 -2.211 1.00 0.00 H new ATOM 0 HH2 TRP A 894 -13.691 3.814 0.159 1.00 0.00 H new ATOM 667 N PRO A 895 -8.127 0.688 -6.836 1.00 0.00 N ATOM 668 CA PRO A 895 -8.220 -0.132 -8.065 1.00 0.00 C ATOM 669 C PRO A 895 -7.022 -1.080 -8.257 1.00 0.00 C ATOM 670 O PRO A 895 -7.044 -1.956 -9.131 1.00 0.00 O ATOM 671 CB PRO A 895 -8.244 0.907 -9.193 1.00 0.00 C ATOM 672 CG PRO A 895 -7.625 2.124 -8.603 1.00 0.00 C ATOM 673 CD PRO A 895 -8.056 2.133 -7.172 1.00 0.00 C ATOM 0 HA PRO A 895 -9.093 -0.783 -8.033 1.00 0.00 H new ATOM 0 HB2 PRO A 895 -7.684 0.560 -10.062 1.00 0.00 H new ATOM 0 HB3 PRO A 895 -9.263 1.104 -9.528 1.00 0.00 H new ATOM 0 HG2 PRO A 895 -6.539 2.092 -8.686 1.00 0.00 H new ATOM 0 HG3 PRO A 895 -7.958 3.024 -9.120 1.00 0.00 H new ATOM 0 HD2 PRO A 895 -7.342 2.660 -6.539 1.00 0.00 H new ATOM 0 HD3 PRO A 895 -9.020 2.625 -7.044 1.00 0.00 H new ATOM 681 N CYS A 896 -6.001 -0.918 -7.442 1.00 0.00 N ATOM 682 CA CYS A 896 -4.815 -1.724 -7.540 1.00 0.00 C ATOM 683 C CYS A 896 -4.894 -2.923 -6.619 1.00 0.00 C ATOM 684 O CYS A 896 -4.157 -3.900 -6.770 1.00 0.00 O ATOM 685 CB CYS A 896 -3.615 -0.865 -7.200 1.00 0.00 C ATOM 686 SG CYS A 896 -3.347 0.506 -8.357 1.00 0.00 S ATOM 0 H CYS A 896 -5.975 -0.223 -6.696 1.00 0.00 H new ATOM 0 HA CYS A 896 -4.719 -2.103 -8.557 1.00 0.00 H new ATOM 0 HB2 CYS A 896 -3.741 -0.461 -6.195 1.00 0.00 H new ATOM 0 HB3 CYS A 896 -2.724 -1.492 -7.182 1.00 0.00 H new ATOM 0 HG CYS A 896 -2.082 0.806 -8.389 1.00 0.00 H new ATOM 691 N VAL A 897 -5.781 -2.844 -5.672 1.00 0.00 N ATOM 692 CA VAL A 897 -5.929 -3.883 -4.691 1.00 0.00 C ATOM 693 C VAL A 897 -7.324 -4.502 -4.758 1.00 0.00 C ATOM 694 O VAL A 897 -7.692 -5.334 -3.934 1.00 0.00 O ATOM 695 CB VAL A 897 -5.617 -3.339 -3.272 1.00 0.00 C ATOM 696 CG1 VAL A 897 -4.150 -2.943 -3.183 1.00 0.00 C ATOM 697 CG2 VAL A 897 -6.451 -2.121 -2.986 1.00 0.00 C ATOM 0 H VAL A 897 -6.423 -2.060 -5.556 1.00 0.00 H new ATOM 0 HA VAL A 897 -5.210 -4.672 -4.913 1.00 0.00 H new ATOM 0 HB VAL A 897 -5.843 -4.122 -2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 897 -3.936 -2.562 -2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 897 -3.525 -3.814 -3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 897 -3.937 -2.169 -3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 897 -6.222 -1.750 -1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 897 -6.229 -1.347 -3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 897 -7.508 -2.382 -3.043 1.00 0.00 H new ATOM 707 N GLY A 898 -8.073 -4.109 -5.770 1.00 0.00 N ATOM 708 CA GLY A 898 -9.408 -4.631 -5.969 1.00 0.00 C ATOM 709 C GLY A 898 -10.391 -4.132 -4.933 1.00 0.00 C ATOM 710 O GLY A 898 -11.260 -4.879 -4.475 1.00 0.00 O ATOM 0 H GLY A 898 -7.777 -3.427 -6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 898 -9.759 -4.350 -6.962 1.00 0.00 H new ATOM 0 HA3 GLY A 898 -9.376 -5.720 -5.939 1.00 0.00 H new ATOM 714 N ILE A 899 -10.251 -2.889 -4.546 1.00 0.00 N ATOM 715 CA ILE A 899 -11.136 -2.309 -3.577 1.00 0.00 C ATOM 716 C ILE A 899 -12.054 -1.314 -4.221 1.00 0.00 C ATOM 717 O ILE A 899 -11.624 -0.383 -4.904 1.00 0.00 O ATOM 718 CB ILE A 899 -10.380 -1.703 -2.366 1.00 0.00 C ATOM 719 CG1 ILE A 899 -9.729 -2.833 -1.575 1.00 0.00 C ATOM 720 CG2 ILE A 899 -11.302 -0.870 -1.470 1.00 0.00 C ATOM 721 CD1 ILE A 899 -9.017 -2.385 -0.336 1.00 0.00 C ATOM 0 H ILE A 899 -9.527 -2.259 -4.892 1.00 0.00 H new ATOM 0 HA ILE A 899 -11.747 -3.117 -3.174 1.00 0.00 H new ATOM 0 HB ILE A 899 -9.614 -1.023 -2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 899 -10.496 -3.556 -1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 899 -9.020 -3.352 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 899 -10.730 -0.466 -0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 899 -11.728 -0.051 -2.049 1.00 0.00 H new ATOM 0 HG23 ILE A 899 -12.105 -1.501 -1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 899 -8.583 -3.249 0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 899 -8.225 -1.686 -0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 899 -9.724 -1.894 0.332 1.00 0.00 H new ATOM 733 N MET A 900 -13.310 -1.553 -4.027 1.00 0.00 N ATOM 734 CA MET A 900 -14.361 -0.741 -4.562 1.00 0.00 C ATOM 735 C MET A 900 -14.975 0.120 -3.473 1.00 0.00 C ATOM 736 O MET A 900 -15.588 1.158 -3.754 1.00 0.00 O ATOM 737 CB MET A 900 -15.442 -1.630 -5.178 1.00 0.00 C ATOM 738 CG MET A 900 -16.205 -2.508 -4.189 1.00 0.00 C ATOM 739 SD MET A 900 -15.191 -3.757 -3.327 1.00 0.00 S ATOM 740 CE MET A 900 -14.667 -4.793 -4.698 1.00 0.00 C ATOM 0 H MET A 900 -13.646 -2.342 -3.475 1.00 0.00 H new ATOM 0 HA MET A 900 -13.940 -0.092 -5.330 1.00 0.00 H new ATOM 0 HB2 MET A 900 -16.157 -0.995 -5.702 1.00 0.00 H new ATOM 0 HB3 MET A 900 -14.978 -2.272 -5.926 1.00 0.00 H new ATOM 0 HG2 MET A 900 -16.675 -1.866 -3.444 1.00 0.00 H new ATOM 0 HG3 MET A 900 -17.007 -3.018 -4.722 1.00 0.00 H new ATOM 0 HE1 MET A 900 -14.223 -5.711 -4.312 1.00 0.00 H new ATOM 0 HE2 MET A 900 -15.529 -5.040 -5.318 1.00 0.00 H new ATOM 0 HE3 MET A 900 -13.930 -4.258 -5.297 1.00 0.00 H new ATOM 750 N ALA A 901 -14.792 -0.297 -2.234 1.00 0.00 N ATOM 751 CA ALA A 901 -15.372 0.364 -1.098 1.00 0.00 C ATOM 752 C ALA A 901 -14.545 0.054 0.108 1.00 0.00 C ATOM 753 O ALA A 901 -13.994 -1.046 0.201 1.00 0.00 O ATOM 754 CB ALA A 901 -16.805 -0.096 -0.888 1.00 0.00 C ATOM 0 H ALA A 901 -14.229 -1.113 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 901 -15.387 1.440 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 901 -17.228 0.415 -0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 901 -17.396 0.139 -1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 901 -16.820 -1.172 -0.717 1.00 0.00 H new ATOM 760 N ALA A 902 -14.473 1.007 1.007 1.00 0.00 N ATOM 761 CA ALA A 902 -13.677 0.945 2.212 1.00 0.00 C ATOM 762 C ALA A 902 -14.011 -0.269 3.055 1.00 0.00 C ATOM 763 O ALA A 902 -15.145 -0.421 3.509 1.00 0.00 O ATOM 764 CB ALA A 902 -13.896 2.203 3.034 1.00 0.00 C ATOM 0 H ALA A 902 -14.988 1.883 0.916 1.00 0.00 H new ATOM 0 HA ALA A 902 -12.633 0.865 1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -13.295 2.154 3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -13.601 3.075 2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -14.950 2.285 3.301 1.00 0.00 H new ATOM 770 N PRO A 903 -13.065 -1.185 3.211 1.00 0.00 N ATOM 771 CA PRO A 903 -13.233 -2.321 4.103 1.00 0.00 C ATOM 772 C PRO A 903 -13.250 -1.838 5.564 1.00 0.00 C ATOM 773 O PRO A 903 -12.724 -0.754 5.855 1.00 0.00 O ATOM 774 CB PRO A 903 -12.003 -3.199 3.826 1.00 0.00 C ATOM 775 CG PRO A 903 -11.003 -2.295 3.194 1.00 0.00 C ATOM 776 CD PRO A 903 -11.776 -1.207 2.502 1.00 0.00 C ATOM 0 HA PRO A 903 -14.166 -2.861 3.942 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -11.614 -3.631 4.748 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -12.254 -4.029 3.166 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -10.333 -1.876 3.944 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -10.383 -2.841 2.483 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -11.265 -0.247 2.572 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -11.907 -1.422 1.441 1.00 0.00 H new ATOM 845 N GLN A 908 -8.450 -6.711 9.169 1.00 0.00 N ATOM 846 CA GLN A 908 -7.065 -6.562 8.862 1.00 0.00 C ATOM 847 C GLN A 908 -6.899 -6.627 7.379 1.00 0.00 C ATOM 848 O GLN A 908 -7.517 -7.466 6.705 1.00 0.00 O ATOM 849 CB GLN A 908 -6.173 -7.583 9.553 1.00 0.00 C ATOM 850 CG GLN A 908 -6.122 -7.454 11.075 1.00 0.00 C ATOM 851 CD GLN A 908 -5.098 -8.381 11.725 1.00 0.00 C ATOM 852 OE1 GLN A 908 -4.894 -9.546 11.158 1.00 0.00 O flip ATOM 853 NE2 GLN A 908 -4.514 -8.051 12.759 1.00 0.00 N flip ATOM 0 HA GLN A 908 -6.742 -5.594 9.244 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -6.522 -8.583 9.297 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -5.161 -7.488 9.159 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -5.887 -6.423 11.338 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -7.109 -7.670 11.484 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -4.693 -7.138 13.177 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -3.851 -8.691 13.197 1.00 0.00 H new ATOM 862 N TRP A 909 -6.099 -5.773 6.873 1.00 0.00 N ATOM 863 CA TRP A 909 -5.918 -5.663 5.468 1.00 0.00 C ATOM 864 C TRP A 909 -4.452 -5.570 5.152 1.00 0.00 C ATOM 865 O TRP A 909 -3.694 -4.873 5.845 1.00 0.00 O ATOM 866 CB TRP A 909 -6.677 -4.445 4.913 1.00 0.00 C ATOM 867 CG TRP A 909 -6.566 -4.317 3.427 1.00 0.00 C ATOM 868 CD1 TRP A 909 -7.371 -4.893 2.496 1.00 0.00 C ATOM 869 CD2 TRP A 909 -5.577 -3.578 2.700 1.00 0.00 C ATOM 870 NE1 TRP A 909 -6.936 -4.566 1.241 1.00 0.00 N ATOM 871 CE2 TRP A 909 -5.840 -3.756 1.342 1.00 0.00 C ATOM 872 CE3 TRP A 909 -4.496 -2.788 3.078 1.00 0.00 C ATOM 873 CZ2 TRP A 909 -5.062 -3.172 0.356 1.00 0.00 C ATOM 874 CZ3 TRP A 909 -3.720 -2.208 2.098 1.00 0.00 C ATOM 875 CH2 TRP A 909 -4.008 -2.402 0.752 1.00 0.00 C ATOM 0 H TRP A 909 -5.541 -5.119 7.423 1.00 0.00 H new ATOM 0 HA TRP A 909 -6.325 -6.553 4.989 1.00 0.00 H new ATOM 0 HB2 TRP A 909 -7.729 -4.523 5.188 1.00 0.00 H new ATOM 0 HB3 TRP A 909 -6.291 -3.539 5.380 1.00 0.00 H new ATOM 0 HD1 TRP A 909 -8.226 -5.516 2.714 1.00 0.00 H new ATOM 0 HE1 TRP A 909 -7.362 -4.877 0.368 1.00 0.00 H new ATOM 0 HE3 TRP A 909 -4.269 -2.632 4.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 -5.282 -3.321 -0.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 -2.877 -1.595 2.379 1.00 0.00 H new ATOM 0 HH2 TRP A 909 -3.385 -1.934 0.005 1.00 0.00 H new ATOM 886 N PHE A 910 -4.062 -6.268 4.123 1.00 0.00 N ATOM 887 CA PHE A 910 -2.709 -6.306 3.682 1.00 0.00 C ATOM 888 C PHE A 910 -2.700 -6.168 2.185 1.00 0.00 C ATOM 889 O PHE A 910 -3.534 -6.773 1.502 1.00 0.00 O ATOM 890 CB PHE A 910 -2.032 -7.625 4.106 1.00 0.00 C ATOM 891 CG PHE A 910 -1.972 -7.822 5.598 1.00 0.00 C ATOM 892 CD1 PHE A 910 -0.951 -7.259 6.341 1.00 0.00 C ATOM 893 CD2 PHE A 910 -2.951 -8.553 6.254 1.00 0.00 C ATOM 894 CE1 PHE A 910 -0.908 -7.417 7.708 1.00 0.00 C ATOM 895 CE2 PHE A 910 -2.911 -8.716 7.620 1.00 0.00 C ATOM 896 CZ PHE A 910 -1.891 -8.148 8.349 1.00 0.00 C ATOM 0 H PHE A 910 -4.695 -6.836 3.560 1.00 0.00 H new ATOM 0 HA PHE A 910 -2.149 -5.489 4.137 1.00 0.00 H new ATOM 0 HB2 PHE A 910 -2.572 -8.460 3.660 1.00 0.00 H new ATOM 0 HB3 PHE A 910 -1.019 -7.649 3.704 1.00 0.00 H new ATOM 0 HD1 PHE A 910 -0.179 -6.690 5.844 1.00 0.00 H new ATOM 0 HD2 PHE A 910 -3.754 -9.000 5.686 1.00 0.00 H new ATOM 0 HE1 PHE A 910 -0.107 -6.970 8.279 1.00 0.00 H new ATOM 0 HE2 PHE A 910 -3.679 -9.289 8.119 1.00 0.00 H new ATOM 0 HZ PHE A 910 -1.859 -8.273 9.421 1.00 0.00 H new ATOM 906 N CYS A 911 -1.798 -5.357 1.696 1.00 0.00 N ATOM 907 CA CYS A 911 -1.615 -5.107 0.289 1.00 0.00 C ATOM 908 C CYS A 911 -1.210 -6.397 -0.430 1.00 0.00 C ATOM 909 O CYS A 911 -0.798 -7.341 0.214 1.00 0.00 O ATOM 910 CB CYS A 911 -0.485 -4.093 0.190 1.00 0.00 C ATOM 911 SG CYS A 911 1.005 -4.594 1.103 1.00 0.00 S ATOM 0 H CYS A 911 -1.149 -4.835 2.285 1.00 0.00 H new ATOM 0 HA CYS A 911 -2.533 -4.743 -0.172 1.00 0.00 H new ATOM 0 HB2 CYS A 911 -0.228 -3.945 -0.859 1.00 0.00 H new ATOM 0 HB3 CYS A 911 -0.832 -3.133 0.572 1.00 0.00 H new ATOM 0 HG CYS A 911 0.829 -4.379 2.373 1.00 0.00 H new ATOM 916 N PRO A 912 -1.273 -6.448 -1.778 1.00 0.00 N ATOM 917 CA PRO A 912 -0.815 -7.616 -2.563 1.00 0.00 C ATOM 918 C PRO A 912 0.668 -7.964 -2.287 1.00 0.00 C ATOM 919 O PRO A 912 1.167 -9.012 -2.697 1.00 0.00 O ATOM 920 CB PRO A 912 -0.989 -7.156 -4.025 1.00 0.00 C ATOM 921 CG PRO A 912 -1.173 -5.676 -3.946 1.00 0.00 C ATOM 922 CD PRO A 912 -1.849 -5.426 -2.642 1.00 0.00 C ATOM 0 HA PRO A 912 -1.375 -8.517 -2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 912 -0.117 -7.414 -4.626 1.00 0.00 H new ATOM 0 HB3 PRO A 912 -1.850 -7.636 -4.490 1.00 0.00 H new ATOM 0 HG2 PRO A 912 -0.215 -5.159 -3.997 1.00 0.00 H new ATOM 0 HG3 PRO A 912 -1.777 -5.311 -4.777 1.00 0.00 H new ATOM 0 HD2 PRO A 912 -1.649 -4.422 -2.269 1.00 0.00 H new ATOM 0 HD3 PRO A 912 -2.931 -5.527 -2.722 1.00 0.00 H new ATOM 930 N LYS A 913 1.354 -7.076 -1.584 1.00 0.00 N ATOM 931 CA LYS A 913 2.717 -7.285 -1.216 1.00 0.00 C ATOM 932 C LYS A 913 2.748 -8.143 0.051 1.00 0.00 C ATOM 933 O LYS A 913 3.344 -9.220 0.071 1.00 0.00 O ATOM 934 CB LYS A 913 3.425 -5.935 -0.995 1.00 0.00 C ATOM 935 CG LYS A 913 3.217 -4.918 -2.133 1.00 0.00 C ATOM 936 CD LYS A 913 3.605 -5.470 -3.505 1.00 0.00 C ATOM 937 CE LYS A 913 5.087 -5.780 -3.608 1.00 0.00 C ATOM 938 NZ LYS A 913 5.417 -6.438 -4.888 1.00 0.00 N ATOM 0 H LYS A 913 0.965 -6.191 -1.259 1.00 0.00 H new ATOM 0 HA LYS A 913 3.249 -7.802 -2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 913 3.067 -5.498 -0.063 1.00 0.00 H new ATOM 0 HB3 LYS A 913 4.493 -6.114 -0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 913 2.171 -4.612 -2.153 1.00 0.00 H new ATOM 0 HG3 LYS A 913 3.806 -4.025 -1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 913 3.033 -6.376 -3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 913 3.334 -4.747 -4.274 1.00 0.00 H new ATOM 0 HE2 LYS A 913 5.660 -4.857 -3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 913 5.383 -6.424 -2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 6.438 -6.635 -4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 4.889 -7.331 -4.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 5.157 -5.812 -5.677 1.00 0.00 H new ATOM 952 N CYS A 914 2.044 -7.705 1.081 1.00 0.00 N ATOM 953 CA CYS A 914 1.997 -8.441 2.328 1.00 0.00 C ATOM 954 C CYS A 914 0.992 -9.595 2.299 1.00 0.00 C ATOM 955 O CYS A 914 1.104 -10.542 3.069 1.00 0.00 O ATOM 956 CB CYS A 914 1.748 -7.499 3.491 1.00 0.00 C ATOM 957 SG CYS A 914 3.067 -6.293 3.712 1.00 0.00 S ATOM 0 H CYS A 914 1.498 -6.843 1.076 1.00 0.00 H new ATOM 0 HA CYS A 914 2.973 -8.905 2.468 1.00 0.00 H new ATOM 0 HB2 CYS A 914 0.806 -6.974 3.332 1.00 0.00 H new ATOM 0 HB3 CYS A 914 1.638 -8.081 4.406 1.00 0.00 H new ATOM 0 HG CYS A 914 2.761 -5.196 3.086 1.00 0.00 H new ATOM 962 N ALA A 915 0.036 -9.528 1.407 1.00 0.00 N ATOM 963 CA ALA A 915 -0.924 -10.602 1.236 1.00 0.00 C ATOM 964 C ALA A 915 -0.223 -11.834 0.712 1.00 0.00 C ATOM 965 O ALA A 915 -0.621 -12.946 1.004 1.00 0.00 O ATOM 966 CB ALA A 915 -2.052 -10.196 0.301 1.00 0.00 C ATOM 0 H ALA A 915 -0.103 -8.735 0.780 1.00 0.00 H new ATOM 0 HA ALA A 915 -1.366 -10.823 2.208 1.00 0.00 H new ATOM 0 HB1 ALA A 915 -2.753 -11.024 0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 915 -2.572 -9.331 0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 915 -1.641 -9.942 -0.676 1.00 0.00 H new ATOM 972 N ASN A 916 0.876 -11.625 -0.009 1.00 0.00 N ATOM 973 CA ASN A 916 1.653 -12.727 -0.576 1.00 0.00 C ATOM 974 C ASN A 916 2.536 -13.373 0.511 1.00 0.00 C ATOM 975 O ASN A 916 3.220 -14.364 0.279 1.00 0.00 O ATOM 976 CB ASN A 916 2.514 -12.243 -1.755 1.00 0.00 C ATOM 977 CG ASN A 916 3.089 -13.388 -2.605 1.00 0.00 C ATOM 978 OD1 ASN A 916 2.337 -14.449 -2.773 1.00 0.00 O flip ATOM 979 ND2 ASN A 916 4.199 -13.297 -3.143 1.00 0.00 N flip ATOM 0 H ASN A 916 1.251 -10.699 -0.216 1.00 0.00 H new ATOM 0 HA ASN A 916 0.958 -13.477 -0.953 1.00 0.00 H new ATOM 0 HB2 ASN A 916 1.912 -11.595 -2.392 1.00 0.00 H new ATOM 0 HB3 ASN A 916 3.336 -11.638 -1.371 1.00 0.00 H new ATOM 0 HD21 ASN A 916 4.768 -12.463 -3.000 1.00 0.00 H new ATOM 0 HD22 ASN A 916 4.545 -14.056 -3.730 1.00 0.00 H new ATOM 986 N LYS A 917 2.531 -12.778 1.692 1.00 0.00 N ATOM 987 CA LYS A 917 3.231 -13.335 2.853 1.00 0.00 C ATOM 988 C LYS A 917 2.318 -14.367 3.504 1.00 0.00 C ATOM 989 O LYS A 917 2.760 -15.401 4.017 1.00 0.00 O ATOM 990 CB LYS A 917 3.553 -12.234 3.876 1.00 0.00 C ATOM 991 CG LYS A 917 4.498 -11.144 3.391 1.00 0.00 C ATOM 992 CD LYS A 917 4.587 -9.999 4.405 1.00 0.00 C ATOM 993 CE LYS A 917 5.568 -8.931 3.951 1.00 0.00 C ATOM 994 NZ LYS A 917 5.477 -7.683 4.753 1.00 0.00 N ATOM 0 H LYS A 917 2.047 -11.900 1.880 1.00 0.00 H new ATOM 0 HA LYS A 917 4.168 -13.788 2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 917 2.618 -11.768 4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 917 3.987 -12.700 4.760 1.00 0.00 H new ATOM 0 HG2 LYS A 917 5.490 -11.565 3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 917 4.152 -10.758 2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 917 3.601 -9.555 4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 917 4.897 -10.392 5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 917 6.582 -9.325 4.016 1.00 0.00 H new ATOM 0 HE3 LYS A 917 5.383 -8.697 2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 6.234 -7.030 4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 4.553 -7.233 4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 5.580 -7.911 5.763 1.00 0.00 H new ATOM 1008 N ILE A 918 1.044 -14.074 3.455 1.00 0.00 N ATOM 1009 CA ILE A 918 0.020 -14.920 4.024 1.00 0.00 C ATOM 1010 C ILE A 918 -0.392 -15.977 2.996 1.00 0.00 C ATOM 1011 O ILE A 918 -0.403 -17.175 3.272 1.00 0.00 O ATOM 1012 CB ILE A 918 -1.202 -14.058 4.436 1.00 0.00 C ATOM 1013 CG1 ILE A 918 -0.762 -12.990 5.455 1.00 0.00 C ATOM 1014 CG2 ILE A 918 -2.312 -14.926 5.007 1.00 0.00 C ATOM 1015 CD1 ILE A 918 -1.858 -12.044 5.890 1.00 0.00 C ATOM 0 H ILE A 918 0.681 -13.230 3.013 1.00 0.00 H new ATOM 0 HA ILE A 918 0.407 -15.420 4.912 1.00 0.00 H new ATOM 0 HB ILE A 918 -1.596 -13.560 3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 918 -0.362 -13.491 6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 918 0.052 -12.408 5.022 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -3.157 -14.298 5.288 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -2.631 -15.649 4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -1.945 -15.455 5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 918 -1.457 -11.328 6.607 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -2.244 -11.511 5.021 1.00 0.00 H new ATOM 0 HD13 ILE A 918 -2.664 -12.611 6.356 1.00 0.00 H new