USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=17 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 -157:sc= 0.797 USER MOD Set 1.2: A 873 CYS SG : rot -82:sc= -1.54! USER MOD Set 1.3: A 880 SER OG : rot 5:sc= 0.591 USER MOD Set 1.4: A 882 MET CE :methyl -145:sc= -0.309 (180deg=-1.37) USER MOD Set 1.5: A 893 HIS : no HE2:sc= -1.21 K(o=-5.5,f=-6.8!) USER MOD Set 1.6: A 896 CYS SG : rot -144:sc= -3.88! USER MOD Set 2.1: A 885 CYS SG : rot 134:sc= 1.11! USER MOD Set 2.2: A 888 CYS SG : rot -57:sc= -0.546 USER MOD Set 2.3: A 892 TYR OH : rot 76:sc= 1.37 USER MOD Set 2.4: A 911 CYS SG : rot -135:sc= 0.311! USER MOD Set 2.5: A 914 CYS SG : rot 114:sc= 0.611 USER MOD Set 2.6: A 917 LYS NZ :NH3+ 163:sc= 1.04 (180deg=0) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 866 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 874 ASN : amide:sc= -0.178 K(o=-0.18,f=-0.96) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 900 MET CE :methyl -168:sc= -0.074 (180deg=-0.381) USER MOD Single : A 908 GLN : amide:sc= -0.0819 X(o=-0.082,f=-0.082) USER MOD Single : A 913 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 916 ASN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 857 9.462 5.341 -4.674 1.00 0.00 N ATOM 93 CA TYR A 857 8.022 5.111 -4.688 1.00 0.00 C ATOM 94 C TYR A 857 7.339 6.140 -3.791 1.00 0.00 C ATOM 95 O TYR A 857 6.200 5.975 -3.353 1.00 0.00 O ATOM 96 CB TYR A 857 7.691 3.674 -4.257 1.00 0.00 C ATOM 97 CG TYR A 857 8.327 2.622 -5.150 1.00 0.00 C ATOM 98 CD1 TYR A 857 7.708 2.207 -6.322 1.00 0.00 C ATOM 99 CD2 TYR A 857 9.553 2.061 -4.824 1.00 0.00 C ATOM 100 CE1 TYR A 857 8.293 1.261 -7.141 1.00 0.00 C ATOM 101 CE2 TYR A 857 10.144 1.118 -5.631 1.00 0.00 C ATOM 102 CZ TYR A 857 9.514 0.721 -6.790 1.00 0.00 C ATOM 103 OH TYR A 857 10.101 -0.226 -7.591 1.00 0.00 O ATOM 0 HA TYR A 857 7.646 5.231 -5.704 1.00 0.00 H new ATOM 0 HB2 TYR A 857 8.027 3.522 -3.231 1.00 0.00 H new ATOM 0 HB3 TYR A 857 6.609 3.540 -4.261 1.00 0.00 H new ATOM 0 HD1 TYR A 857 6.754 2.631 -6.597 1.00 0.00 H new ATOM 0 HD2 TYR A 857 10.053 2.371 -3.918 1.00 0.00 H new ATOM 0 HE1 TYR A 857 7.799 0.946 -8.049 1.00 0.00 H new ATOM 0 HE2 TYR A 857 11.097 0.691 -5.358 1.00 0.00 H new ATOM 0 HH TYR A 857 10.957 -0.500 -7.200 1.00 0.00 H new ATOM 113 N VAL A 858 8.056 7.202 -3.546 1.00 0.00 N ATOM 114 CA VAL A 858 7.602 8.320 -2.805 1.00 0.00 C ATOM 115 C VAL A 858 8.198 9.577 -3.447 1.00 0.00 C ATOM 116 O VAL A 858 9.388 9.611 -3.780 1.00 0.00 O ATOM 117 CB VAL A 858 7.973 8.210 -1.287 1.00 0.00 C ATOM 118 CG1 VAL A 858 9.478 8.111 -1.068 1.00 0.00 C ATOM 119 CG2 VAL A 858 7.381 9.366 -0.491 1.00 0.00 C ATOM 0 H VAL A 858 9.015 7.305 -3.878 1.00 0.00 H new ATOM 0 HA VAL A 858 6.513 8.365 -2.836 1.00 0.00 H new ATOM 0 HB VAL A 858 7.534 7.283 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 858 9.686 8.037 -0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 858 9.862 7.226 -1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 858 9.964 9.000 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 858 7.655 9.263 0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 858 7.768 10.309 -0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 858 6.295 9.354 -0.585 1.00 0.00 H new ATOM 129 N ILE A 859 7.364 10.542 -3.704 1.00 0.00 N ATOM 130 CA ILE A 859 7.777 11.785 -4.325 1.00 0.00 C ATOM 131 C ILE A 859 7.344 12.915 -3.405 1.00 0.00 C ATOM 132 O ILE A 859 6.387 12.754 -2.656 1.00 0.00 O ATOM 133 CB ILE A 859 7.084 11.979 -5.727 1.00 0.00 C ATOM 134 CG1 ILE A 859 7.267 10.733 -6.611 1.00 0.00 C ATOM 135 CG2 ILE A 859 7.637 13.215 -6.442 1.00 0.00 C ATOM 136 CD1 ILE A 859 6.577 10.822 -7.963 1.00 0.00 C ATOM 0 H ILE A 859 6.368 10.497 -3.490 1.00 0.00 H new ATOM 0 HA ILE A 859 8.856 11.775 -4.479 1.00 0.00 H new ATOM 0 HB ILE A 859 6.018 12.125 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 859 8.333 10.567 -6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 859 6.885 9.863 -6.077 1.00 0.00 H new ATOM 0 HG21 ILE A 859 7.144 13.328 -7.407 1.00 0.00 H new ATOM 0 HG22 ILE A 859 7.452 14.100 -5.834 1.00 0.00 H new ATOM 0 HG23 ILE A 859 8.710 13.098 -6.595 1.00 0.00 H new ATOM 0 HD11 ILE A 859 6.755 9.904 -8.524 1.00 0.00 H new ATOM 0 HD12 ILE A 859 5.505 10.955 -7.816 1.00 0.00 H new ATOM 0 HD13 ILE A 859 6.975 11.670 -8.520 1.00 0.00 H new ATOM 148 N ARG A 860 8.049 14.013 -3.402 1.00 0.00 N ATOM 149 CA ARG A 860 7.612 15.143 -2.631 1.00 0.00 C ATOM 150 C ARG A 860 6.824 16.069 -3.500 1.00 0.00 C ATOM 151 O ARG A 860 7.279 16.477 -4.577 1.00 0.00 O ATOM 152 CB ARG A 860 8.754 15.912 -1.985 1.00 0.00 C ATOM 153 CG ARG A 860 9.508 15.147 -0.937 1.00 0.00 C ATOM 154 CD ARG A 860 10.595 16.008 -0.350 1.00 0.00 C ATOM 155 NE ARG A 860 11.268 15.376 0.778 1.00 0.00 N ATOM 156 CZ ARG A 860 12.392 15.825 1.336 1.00 0.00 C ATOM 157 NH1 ARG A 860 13.016 16.874 0.814 1.00 0.00 N ATOM 158 NH2 ARG A 860 12.893 15.214 2.394 1.00 0.00 N ATOM 0 H ARG A 860 8.918 14.149 -3.918 1.00 0.00 H new ATOM 0 HA ARG A 860 6.997 14.749 -1.822 1.00 0.00 H new ATOM 0 HB2 ARG A 860 9.452 16.222 -2.763 1.00 0.00 H new ATOM 0 HB3 ARG A 860 8.354 16.821 -1.535 1.00 0.00 H new ATOM 0 HG2 ARG A 860 8.826 14.823 -0.151 1.00 0.00 H new ATOM 0 HG3 ARG A 860 9.942 14.247 -1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 860 11.328 16.237 -1.123 1.00 0.00 H new ATOM 0 HD3 ARG A 860 10.166 16.957 -0.027 1.00 0.00 H new ATOM 0 HE ARG A 860 10.850 14.531 1.167 1.00 0.00 H new ATOM 0 HH11 ARG A 860 12.635 17.335 -0.012 1.00 0.00 H new ATOM 0 HH12 ARG A 860 13.876 17.219 1.239 1.00 0.00 H new ATOM 0 HH21 ARG A 860 12.420 14.399 2.784 1.00 0.00 H new ATOM 0 HH22 ARG A 860 13.753 15.557 2.821 1.00 0.00 H new ATOM 172 N ASP A 861 5.640 16.353 -3.064 1.00 0.00 N ATOM 173 CA ASP A 861 4.772 17.317 -3.708 1.00 0.00 C ATOM 174 C ASP A 861 5.299 18.729 -3.435 1.00 0.00 C ATOM 175 O ASP A 861 6.221 18.916 -2.622 1.00 0.00 O ATOM 176 CB ASP A 861 3.340 17.149 -3.168 1.00 0.00 C ATOM 177 CG ASP A 861 2.359 18.180 -3.652 1.00 0.00 C ATOM 178 OD1 ASP A 861 1.965 18.148 -4.826 1.00 0.00 O ATOM 179 OD2 ASP A 861 2.018 19.075 -2.868 1.00 0.00 O ATOM 0 H ASP A 861 5.230 15.920 -2.236 1.00 0.00 H new ATOM 0 HA ASP A 861 4.757 17.154 -4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 861 2.975 16.161 -3.448 1.00 0.00 H new ATOM 0 HB3 ASP A 861 3.371 17.181 -2.079 1.00 0.00 H new ATOM 184 N GLU A 862 4.710 19.696 -4.078 1.00 0.00 N ATOM 185 CA GLU A 862 5.093 21.092 -3.959 1.00 0.00 C ATOM 186 C GLU A 862 4.865 21.609 -2.536 1.00 0.00 C ATOM 187 O GLU A 862 5.585 22.483 -2.064 1.00 0.00 O ATOM 188 CB GLU A 862 4.329 21.936 -4.975 1.00 0.00 C ATOM 189 CG GLU A 862 2.821 21.860 -4.830 1.00 0.00 C ATOM 190 CD GLU A 862 2.118 22.648 -5.876 1.00 0.00 C ATOM 191 OE1 GLU A 862 1.967 23.870 -5.711 1.00 0.00 O ATOM 192 OE2 GLU A 862 1.737 22.068 -6.908 1.00 0.00 O ATOM 0 H GLU A 862 3.930 19.542 -4.717 1.00 0.00 H new ATOM 0 HA GLU A 862 6.159 21.174 -4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 862 4.641 22.976 -4.877 1.00 0.00 H new ATOM 0 HB3 GLU A 862 4.604 21.614 -5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 862 2.504 20.819 -4.887 1.00 0.00 H new ATOM 0 HG3 GLU A 862 2.533 22.228 -3.845 1.00 0.00 H new ATOM 199 N TRP A 863 3.868 21.051 -1.856 1.00 0.00 N ATOM 200 CA TRP A 863 3.584 21.404 -0.482 1.00 0.00 C ATOM 201 C TRP A 863 4.447 20.575 0.473 1.00 0.00 C ATOM 202 O TRP A 863 4.355 20.701 1.698 1.00 0.00 O ATOM 203 CB TRP A 863 2.110 21.179 -0.183 1.00 0.00 C ATOM 204 CG TRP A 863 1.201 22.002 -1.037 1.00 0.00 C ATOM 205 CD1 TRP A 863 0.464 21.581 -2.098 1.00 0.00 C ATOM 206 CD2 TRP A 863 0.950 23.395 -0.908 1.00 0.00 C ATOM 207 NE1 TRP A 863 -0.238 22.627 -2.629 1.00 0.00 N ATOM 208 CE2 TRP A 863 0.040 23.755 -1.914 1.00 0.00 C ATOM 209 CE3 TRP A 863 1.407 24.364 -0.033 1.00 0.00 C ATOM 210 CZ2 TRP A 863 -0.422 25.056 -2.064 1.00 0.00 C ATOM 211 CZ3 TRP A 863 0.955 25.659 -0.177 1.00 0.00 C ATOM 212 CH2 TRP A 863 0.046 25.995 -1.185 1.00 0.00 C ATOM 0 H TRP A 863 3.242 20.346 -2.245 1.00 0.00 H new ATOM 0 HA TRP A 863 3.820 22.458 -0.336 1.00 0.00 H new ATOM 0 HB2 TRP A 863 1.874 20.124 -0.325 1.00 0.00 H new ATOM 0 HB3 TRP A 863 1.920 21.410 0.865 1.00 0.00 H new ATOM 0 HD1 TRP A 863 0.437 20.567 -2.468 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -0.867 22.573 -3.430 1.00 0.00 H new ATOM 0 HE3 TRP A 863 2.106 24.111 0.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -1.123 25.317 -2.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 1.308 26.424 0.498 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -0.294 27.016 -1.272 1.00 0.00 H new ATOM 223 N GLY A 864 5.258 19.706 -0.104 1.00 0.00 N ATOM 224 CA GLY A 864 6.166 18.860 0.645 1.00 0.00 C ATOM 225 C GLY A 864 5.515 17.602 1.164 1.00 0.00 C ATOM 226 O GLY A 864 6.150 16.815 1.882 1.00 0.00 O ATOM 0 H GLY A 864 5.304 19.568 -1.114 1.00 0.00 H new ATOM 0 HA2 GLY A 864 7.008 18.589 0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 864 6.570 19.425 1.485 1.00 0.00 H new ATOM 230 N ASN A 865 4.253 17.395 0.814 1.00 0.00 N ATOM 231 CA ASN A 865 3.560 16.178 1.213 1.00 0.00 C ATOM 232 C ASN A 865 4.080 15.028 0.408 1.00 0.00 C ATOM 233 O ASN A 865 4.532 15.212 -0.735 1.00 0.00 O ATOM 234 CB ASN A 865 2.021 16.258 1.079 1.00 0.00 C ATOM 235 CG ASN A 865 1.362 17.212 2.065 1.00 0.00 C ATOM 236 OD1 ASN A 865 0.972 18.374 1.611 1.00 0.00 O flip ATOM 237 ND2 ASN A 865 1.116 16.849 3.215 1.00 0.00 N flip ATOM 0 H ASN A 865 3.694 18.045 0.261 1.00 0.00 H new ATOM 0 HA ASN A 865 3.763 16.037 2.275 1.00 0.00 H new ATOM 0 HB2 ASN A 865 1.771 16.570 0.065 1.00 0.00 H new ATOM 0 HB3 ASN A 865 1.602 15.261 1.218 1.00 0.00 H new ATOM 0 HD21 ASN A 865 1.434 15.936 3.541 1.00 0.00 H new ATOM 0 HD22 ASN A 865 0.594 17.461 3.842 1.00 0.00 H new ATOM 244 N GLN A 866 4.063 13.870 0.985 1.00 0.00 N ATOM 245 CA GLN A 866 4.540 12.705 0.316 1.00 0.00 C ATOM 246 C GLN A 866 3.523 12.176 -0.654 1.00 0.00 C ATOM 247 O GLN A 866 2.354 12.012 -0.330 1.00 0.00 O ATOM 248 CB GLN A 866 4.953 11.614 1.297 1.00 0.00 C ATOM 249 CG GLN A 866 6.181 11.960 2.117 1.00 0.00 C ATOM 250 CD GLN A 866 6.573 10.875 3.115 1.00 0.00 C ATOM 251 OE1 GLN A 866 5.610 10.146 3.622 1.00 0.00 O flip ATOM 252 NE2 GLN A 866 7.755 10.700 3.434 1.00 0.00 N flip ATOM 0 H GLN A 866 3.719 13.706 1.931 1.00 0.00 H new ATOM 0 HA GLN A 866 5.426 13.005 -0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 866 4.122 11.412 1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 866 5.144 10.695 0.744 1.00 0.00 H new ATOM 0 HG2 GLN A 866 7.018 12.142 1.443 1.00 0.00 H new ATOM 0 HG3 GLN A 866 5.998 12.889 2.656 1.00 0.00 H new ATOM 0 HE21 GLN A 866 8.485 11.282 3.024 1.00 0.00 H new ATOM 0 HE22 GLN A 866 7.999 9.974 4.107 1.00 0.00 H new ATOM 261 N ILE A 867 3.970 11.982 -1.837 1.00 0.00 N ATOM 262 CA ILE A 867 3.214 11.339 -2.864 1.00 0.00 C ATOM 263 C ILE A 867 3.637 9.915 -2.846 1.00 0.00 C ATOM 264 O ILE A 867 4.820 9.618 -2.999 1.00 0.00 O ATOM 265 CB ILE A 867 3.527 11.915 -4.265 1.00 0.00 C ATOM 266 CG1 ILE A 867 3.070 13.364 -4.391 1.00 0.00 C ATOM 267 CG2 ILE A 867 2.913 11.052 -5.377 1.00 0.00 C ATOM 268 CD1 ILE A 867 1.572 13.541 -4.307 1.00 0.00 C ATOM 0 H ILE A 867 4.901 12.273 -2.135 1.00 0.00 H new ATOM 0 HA ILE A 867 2.149 11.481 -2.681 1.00 0.00 H new ATOM 0 HB ILE A 867 4.610 11.896 -4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 867 3.541 13.953 -3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 867 3.421 13.764 -5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 867 3.152 11.486 -6.348 1.00 0.00 H new ATOM 0 HG22 ILE A 867 3.320 10.042 -5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 867 1.831 11.015 -5.253 1.00 0.00 H new ATOM 0 HD11 ILE A 867 1.324 14.598 -4.405 1.00 0.00 H new ATOM 0 HD12 ILE A 867 1.094 12.980 -5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 867 1.215 13.172 -3.345 1.00 0.00 H new ATOM 280 N TRP A 868 2.728 9.059 -2.648 1.00 0.00 N ATOM 281 CA TRP A 868 3.047 7.676 -2.583 1.00 0.00 C ATOM 282 C TRP A 868 2.743 7.006 -3.880 1.00 0.00 C ATOM 283 O TRP A 868 1.758 7.334 -4.553 1.00 0.00 O ATOM 284 CB TRP A 868 2.316 6.996 -1.447 1.00 0.00 C ATOM 285 CG TRP A 868 2.733 7.475 -0.088 1.00 0.00 C ATOM 286 CD1 TRP A 868 3.828 7.070 0.628 1.00 0.00 C ATOM 287 CD2 TRP A 868 2.055 8.434 0.725 1.00 0.00 C ATOM 288 NE1 TRP A 868 3.866 7.722 1.839 1.00 0.00 N ATOM 289 CE2 TRP A 868 2.787 8.562 1.920 1.00 0.00 C ATOM 290 CE3 TRP A 868 0.894 9.196 0.560 1.00 0.00 C ATOM 291 CZ2 TRP A 868 2.395 9.418 2.938 1.00 0.00 C ATOM 292 CZ3 TRP A 868 0.509 10.045 1.577 1.00 0.00 C ATOM 293 CH2 TRP A 868 1.257 10.147 2.749 1.00 0.00 C ATOM 0 H TRP A 868 1.740 9.280 -2.525 1.00 0.00 H new ATOM 0 HA TRP A 868 4.116 7.589 -2.390 1.00 0.00 H new ATOM 0 HB2 TRP A 868 1.245 7.159 -1.567 1.00 0.00 H new ATOM 0 HB3 TRP A 868 2.484 5.921 -1.511 1.00 0.00 H new ATOM 0 HD1 TRP A 868 4.555 6.345 0.292 1.00 0.00 H new ATOM 0 HE1 TRP A 868 4.580 7.600 2.558 1.00 0.00 H new ATOM 0 HE3 TRP A 868 0.310 9.121 -0.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 2.970 9.505 3.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -0.385 10.640 1.463 1.00 0.00 H new ATOM 0 HH2 TRP A 868 0.928 10.820 3.527 1.00 0.00 H new ATOM 304 N ILE A 869 3.614 6.145 -4.261 1.00 0.00 N ATOM 305 CA ILE A 869 3.444 5.344 -5.410 1.00 0.00 C ATOM 306 C ILE A 869 3.069 3.956 -4.963 1.00 0.00 C ATOM 307 O ILE A 869 3.808 3.331 -4.212 1.00 0.00 O ATOM 308 CB ILE A 869 4.720 5.330 -6.305 1.00 0.00 C ATOM 309 CG1 ILE A 869 4.952 6.728 -6.912 1.00 0.00 C ATOM 310 CG2 ILE A 869 4.642 4.259 -7.382 1.00 0.00 C ATOM 311 CD1 ILE A 869 6.082 6.817 -7.911 1.00 0.00 C ATOM 0 H ILE A 869 4.489 5.976 -3.765 1.00 0.00 H new ATOM 0 HA ILE A 869 2.650 5.762 -6.028 1.00 0.00 H new ATOM 0 HB ILE A 869 5.575 5.078 -5.678 1.00 0.00 H new ATOM 0 HG12 ILE A 869 4.032 7.052 -7.399 1.00 0.00 H new ATOM 0 HG13 ILE A 869 5.149 7.430 -6.102 1.00 0.00 H new ATOM 0 HG21 ILE A 869 5.550 4.282 -7.984 1.00 0.00 H new ATOM 0 HG22 ILE A 869 4.541 3.280 -6.914 1.00 0.00 H new ATOM 0 HG23 ILE A 869 3.779 4.447 -8.020 1.00 0.00 H new ATOM 0 HD11 ILE A 869 6.163 7.840 -8.279 1.00 0.00 H new ATOM 0 HD12 ILE A 869 7.017 6.529 -7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 869 5.883 6.146 -8.746 1.00 0.00 H new ATOM 323 N CYS A 870 1.896 3.535 -5.387 1.00 0.00 N ATOM 324 CA CYS A 870 1.328 2.254 -5.100 1.00 0.00 C ATOM 325 C CYS A 870 2.248 1.178 -5.691 1.00 0.00 C ATOM 326 O CYS A 870 2.341 1.045 -6.915 1.00 0.00 O ATOM 327 CB CYS A 870 -0.076 2.244 -5.762 1.00 0.00 C ATOM 328 SG CYS A 870 -1.154 0.782 -5.574 1.00 0.00 S ATOM 0 H CYS A 870 1.290 4.113 -5.970 1.00 0.00 H new ATOM 0 HA CYS A 870 1.231 2.056 -4.033 1.00 0.00 H new ATOM 0 HB2 CYS A 870 -0.624 3.104 -5.377 1.00 0.00 H new ATOM 0 HB3 CYS A 870 0.066 2.409 -6.830 1.00 0.00 H new ATOM 0 HG CYS A 870 -2.018 0.752 -6.545 1.00 0.00 H new ATOM 333 N PRO A 871 2.965 0.425 -4.828 1.00 0.00 N ATOM 334 CA PRO A 871 3.921 -0.619 -5.249 1.00 0.00 C ATOM 335 C PRO A 871 3.285 -1.703 -6.120 1.00 0.00 C ATOM 336 O PRO A 871 3.985 -2.456 -6.801 1.00 0.00 O ATOM 337 CB PRO A 871 4.401 -1.226 -3.922 1.00 0.00 C ATOM 338 CG PRO A 871 4.166 -0.162 -2.913 1.00 0.00 C ATOM 339 CD PRO A 871 2.935 0.569 -3.362 1.00 0.00 C ATOM 0 HA PRO A 871 4.717 -0.198 -5.863 1.00 0.00 H new ATOM 0 HB2 PRO A 871 3.847 -2.132 -3.678 1.00 0.00 H new ATOM 0 HB3 PRO A 871 5.455 -1.500 -3.970 1.00 0.00 H new ATOM 0 HG2 PRO A 871 4.025 -0.590 -1.920 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.020 0.513 -2.851 1.00 0.00 H new ATOM 0 HD2 PRO A 871 2.032 0.134 -2.934 1.00 0.00 H new ATOM 0 HD3 PRO A 871 2.958 1.616 -3.061 1.00 0.00 H new ATOM 347 N GLY A 872 1.973 -1.775 -6.096 1.00 0.00 N ATOM 348 CA GLY A 872 1.271 -2.744 -6.883 1.00 0.00 C ATOM 349 C GLY A 872 1.324 -2.427 -8.366 1.00 0.00 C ATOM 350 O GLY A 872 1.657 -3.293 -9.180 1.00 0.00 O ATOM 0 H GLY A 872 1.375 -1.168 -5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 872 1.700 -3.731 -6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 872 0.231 -2.787 -6.560 1.00 0.00 H new ATOM 354 N CYS A 873 1.071 -1.184 -8.710 1.00 0.00 N ATOM 355 CA CYS A 873 0.963 -0.789 -10.100 1.00 0.00 C ATOM 356 C CYS A 873 2.176 0.012 -10.557 1.00 0.00 C ATOM 357 O CYS A 873 2.513 0.011 -11.751 1.00 0.00 O ATOM 358 CB CYS A 873 -0.268 0.070 -10.223 1.00 0.00 C ATOM 359 SG CYS A 873 -0.255 1.455 -9.060 1.00 0.00 S ATOM 0 H CYS A 873 0.935 -0.424 -8.043 1.00 0.00 H new ATOM 0 HA CYS A 873 0.905 -1.680 -10.725 1.00 0.00 H new ATOM 0 HB2 CYS A 873 -0.341 0.453 -11.241 1.00 0.00 H new ATOM 0 HB3 CYS A 873 -1.154 -0.541 -10.048 1.00 0.00 H new ATOM 0 HG CYS A 873 -0.659 1.046 -7.894 1.00 0.00 H new ATOM 364 N ASN A 874 2.794 0.702 -9.593 1.00 0.00 N ATOM 365 CA ASN A 874 3.925 1.622 -9.786 1.00 0.00 C ATOM 366 C ASN A 874 3.389 2.997 -10.264 1.00 0.00 C ATOM 367 O ASN A 874 4.073 3.777 -10.938 1.00 0.00 O ATOM 368 CB ASN A 874 5.028 1.030 -10.722 1.00 0.00 C ATOM 369 CG ASN A 874 6.306 1.863 -10.783 1.00 0.00 C ATOM 370 OD1 ASN A 874 6.675 2.549 -9.829 1.00 0.00 O ATOM 371 ND2 ASN A 874 7.003 1.795 -11.892 1.00 0.00 N ATOM 0 H ASN A 874 2.510 0.634 -8.616 1.00 0.00 H new ATOM 0 HA ASN A 874 4.429 1.767 -8.830 1.00 0.00 H new ATOM 0 HB2 ASN A 874 5.278 0.025 -10.381 1.00 0.00 H new ATOM 0 HB3 ASN A 874 4.622 0.933 -11.729 1.00 0.00 H new ATOM 0 HD21 ASN A 874 7.874 2.318 -11.980 1.00 0.00 H new ATOM 0 HD22 ASN A 874 6.674 1.219 -12.667 1.00 0.00 H new ATOM 378 N LYS A 875 2.149 3.297 -9.872 1.00 0.00 N ATOM 379 CA LYS A 875 1.523 4.595 -10.159 1.00 0.00 C ATOM 380 C LYS A 875 1.499 5.458 -8.900 1.00 0.00 C ATOM 381 O LYS A 875 1.240 4.954 -7.799 1.00 0.00 O ATOM 382 CB LYS A 875 0.073 4.429 -10.617 1.00 0.00 C ATOM 383 CG LYS A 875 -0.122 3.582 -11.841 1.00 0.00 C ATOM 384 CD LYS A 875 -1.600 3.251 -12.034 1.00 0.00 C ATOM 385 CE LYS A 875 -1.812 2.248 -13.153 1.00 0.00 C ATOM 386 NZ LYS A 875 -3.233 1.858 -13.293 1.00 0.00 N ATOM 0 H LYS A 875 1.552 2.655 -9.351 1.00 0.00 H new ATOM 0 HA LYS A 875 2.112 5.062 -10.948 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -0.501 3.994 -9.799 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -0.345 5.417 -10.809 1.00 0.00 H new ATOM 0 HG2 LYS A 875 0.256 4.108 -12.718 1.00 0.00 H new ATOM 0 HG3 LYS A 875 0.454 2.661 -11.748 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -2.007 2.851 -11.105 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -2.151 4.165 -12.256 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -1.460 2.674 -14.092 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -1.210 1.360 -12.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -3.330 1.172 -14.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -3.564 1.427 -12.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -3.805 2.701 -13.503 1.00 0.00 H new ATOM 400 N PRO A 876 1.776 6.750 -9.042 1.00 0.00 N ATOM 401 CA PRO A 876 1.683 7.716 -7.939 1.00 0.00 C ATOM 402 C PRO A 876 0.239 8.100 -7.615 1.00 0.00 C ATOM 403 O PRO A 876 -0.691 7.843 -8.412 1.00 0.00 O ATOM 404 CB PRO A 876 2.418 8.948 -8.476 1.00 0.00 C ATOM 405 CG PRO A 876 2.338 8.837 -9.966 1.00 0.00 C ATOM 406 CD PRO A 876 2.252 7.368 -10.288 1.00 0.00 C ATOM 0 HA PRO A 876 2.098 7.304 -7.019 1.00 0.00 H new ATOM 0 HB2 PRO A 876 1.952 9.868 -8.125 1.00 0.00 H new ATOM 0 HB3 PRO A 876 3.454 8.966 -8.138 1.00 0.00 H new ATOM 0 HG2 PRO A 876 1.466 9.368 -10.347 1.00 0.00 H new ATOM 0 HG3 PRO A 876 3.214 9.285 -10.435 1.00 0.00 H new ATOM 0 HD2 PRO A 876 1.564 7.181 -11.113 1.00 0.00 H new ATOM 0 HD3 PRO A 876 3.222 6.968 -10.585 1.00 0.00 H new ATOM 414 N ASP A 877 0.043 8.669 -6.438 1.00 0.00 N ATOM 415 CA ASP A 877 -1.247 9.222 -6.058 1.00 0.00 C ATOM 416 C ASP A 877 -1.564 10.410 -6.943 1.00 0.00 C ATOM 417 O ASP A 877 -0.669 11.190 -7.313 1.00 0.00 O ATOM 418 CB ASP A 877 -1.294 9.626 -4.573 1.00 0.00 C ATOM 419 CG ASP A 877 -2.617 10.294 -4.181 1.00 0.00 C ATOM 420 OD1 ASP A 877 -3.705 9.792 -4.561 1.00 0.00 O ATOM 421 OD2 ASP A 877 -2.591 11.358 -3.539 1.00 0.00 O ATOM 0 H ASP A 877 0.766 8.761 -5.724 1.00 0.00 H new ATOM 0 HA ASP A 877 -2.000 8.447 -6.196 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -1.142 8.741 -3.955 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -0.471 10.308 -4.360 1.00 0.00 H new ATOM 426 N ASP A 878 -2.806 10.514 -7.301 1.00 0.00 N ATOM 427 CA ASP A 878 -3.290 11.542 -8.204 1.00 0.00 C ATOM 428 C ASP A 878 -4.434 12.278 -7.510 1.00 0.00 C ATOM 429 O ASP A 878 -5.185 13.069 -8.106 1.00 0.00 O ATOM 430 CB ASP A 878 -3.793 10.827 -9.471 1.00 0.00 C ATOM 431 CG ASP A 878 -4.198 11.735 -10.604 1.00 0.00 C ATOM 432 OD1 ASP A 878 -3.307 12.185 -11.357 1.00 0.00 O ATOM 433 OD2 ASP A 878 -5.417 11.965 -10.796 1.00 0.00 O ATOM 0 H ASP A 878 -3.535 9.880 -6.974 1.00 0.00 H new ATOM 0 HA ASP A 878 -2.516 12.262 -8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -3.010 10.157 -9.826 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -4.647 10.205 -9.203 1.00 0.00 H new ATOM 438 N GLY A 879 -4.527 12.062 -6.226 1.00 0.00 N ATOM 439 CA GLY A 879 -5.656 12.521 -5.491 1.00 0.00 C ATOM 440 C GLY A 879 -6.693 11.462 -5.636 1.00 0.00 C ATOM 441 O GLY A 879 -7.817 11.706 -6.088 1.00 0.00 O ATOM 0 H GLY A 879 -3.827 11.568 -5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -5.402 12.679 -4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -6.014 13.475 -5.879 1.00 0.00 H new ATOM 445 N SER A 880 -6.280 10.276 -5.321 1.00 0.00 N ATOM 446 CA SER A 880 -7.054 9.106 -5.530 1.00 0.00 C ATOM 447 C SER A 880 -7.330 8.388 -4.213 1.00 0.00 C ATOM 448 O SER A 880 -6.573 8.554 -3.255 1.00 0.00 O ATOM 449 CB SER A 880 -6.293 8.208 -6.521 1.00 0.00 C ATOM 450 OG SER A 880 -4.907 8.080 -6.169 1.00 0.00 O ATOM 0 H SER A 880 -5.369 10.095 -4.900 1.00 0.00 H new ATOM 0 HA SER A 880 -8.028 9.366 -5.946 1.00 0.00 H new ATOM 0 HB2 SER A 880 -6.754 7.221 -6.545 1.00 0.00 H new ATOM 0 HB3 SER A 880 -6.376 8.623 -7.525 1.00 0.00 H new ATOM 0 HG SER A 880 -4.743 8.534 -5.316 1.00 0.00 H new ATOM 456 N PRO A 881 -8.433 7.624 -4.120 1.00 0.00 N ATOM 457 CA PRO A 881 -8.733 6.835 -2.935 1.00 0.00 C ATOM 458 C PRO A 881 -7.691 5.732 -2.766 1.00 0.00 C ATOM 459 O PRO A 881 -7.504 4.869 -3.660 1.00 0.00 O ATOM 460 CB PRO A 881 -10.115 6.235 -3.219 1.00 0.00 C ATOM 461 CG PRO A 881 -10.654 6.996 -4.378 1.00 0.00 C ATOM 462 CD PRO A 881 -9.468 7.470 -5.155 1.00 0.00 C ATOM 0 HA PRO A 881 -8.720 7.424 -2.018 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -10.041 5.172 -3.449 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -10.768 6.328 -2.351 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -11.295 6.365 -4.993 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -11.261 7.837 -4.043 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -9.172 6.750 -5.918 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -9.671 8.411 -5.666 1.00 0.00 H new ATOM 470 N MET A 882 -6.984 5.776 -1.667 1.00 0.00 N ATOM 471 CA MET A 882 -5.930 4.838 -1.421 1.00 0.00 C ATOM 472 C MET A 882 -6.151 4.145 -0.096 1.00 0.00 C ATOM 473 O MET A 882 -6.609 4.760 0.879 1.00 0.00 O ATOM 474 CB MET A 882 -4.539 5.515 -1.462 1.00 0.00 C ATOM 475 CG MET A 882 -4.241 6.264 -2.760 1.00 0.00 C ATOM 476 SD MET A 882 -2.551 6.894 -2.869 1.00 0.00 S ATOM 477 CE MET A 882 -1.624 5.398 -3.170 1.00 0.00 C ATOM 0 H MET A 882 -7.124 6.460 -0.924 1.00 0.00 H new ATOM 0 HA MET A 882 -5.950 4.094 -2.217 1.00 0.00 H new ATOM 0 HB2 MET A 882 -4.463 6.213 -0.628 1.00 0.00 H new ATOM 0 HB3 MET A 882 -3.773 4.754 -1.312 1.00 0.00 H new ATOM 0 HG2 MET A 882 -4.425 5.598 -3.603 1.00 0.00 H new ATOM 0 HG3 MET A 882 -4.936 7.098 -2.855 1.00 0.00 H new ATOM 0 HE1 MET A 882 -0.656 5.463 -2.673 1.00 0.00 H new ATOM 0 HE2 MET A 882 -2.176 4.543 -2.779 1.00 0.00 H new ATOM 0 HE3 MET A 882 -1.473 5.273 -4.242 1.00 0.00 H new ATOM 487 N ILE A 883 -5.836 2.892 -0.063 1.00 0.00 N ATOM 488 CA ILE A 883 -5.999 2.071 1.095 1.00 0.00 C ATOM 489 C ILE A 883 -4.609 1.714 1.640 1.00 0.00 C ATOM 490 O ILE A 883 -3.645 1.602 0.869 1.00 0.00 O ATOM 491 CB ILE A 883 -6.839 0.789 0.756 1.00 0.00 C ATOM 492 CG1 ILE A 883 -7.096 -0.048 2.019 1.00 0.00 C ATOM 493 CG2 ILE A 883 -6.173 -0.038 -0.347 1.00 0.00 C ATOM 494 CD1 ILE A 883 -8.059 -1.192 1.811 1.00 0.00 C ATOM 0 H ILE A 883 -5.446 2.395 -0.864 1.00 0.00 H new ATOM 0 HA ILE A 883 -6.552 2.613 1.862 1.00 0.00 H new ATOM 0 HB ILE A 883 -7.807 1.112 0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 883 -6.147 -0.446 2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 883 -7.485 0.604 2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 883 -6.780 -0.919 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 883 -6.083 0.566 -1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 883 -5.182 -0.351 -0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 883 -8.188 -1.734 2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 883 -9.022 -0.802 1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 883 -7.663 -1.867 1.053 1.00 0.00 H new ATOM 506 N GLY A 884 -4.489 1.621 2.932 1.00 0.00 N ATOM 507 CA GLY A 884 -3.227 1.296 3.535 1.00 0.00 C ATOM 508 C GLY A 884 -3.210 -0.080 4.174 1.00 0.00 C ATOM 509 O GLY A 884 -4.260 -0.656 4.456 1.00 0.00 O ATOM 0 H GLY A 884 -5.253 1.766 3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 884 -2.445 1.348 2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 884 -2.989 2.044 4.291 1.00 0.00 H new ATOM 513 N CYS A 885 -2.014 -0.552 4.430 1.00 0.00 N ATOM 514 CA CYS A 885 -1.714 -1.851 4.996 1.00 0.00 C ATOM 515 C CYS A 885 -1.700 -1.726 6.522 1.00 0.00 C ATOM 516 O CYS A 885 -2.195 -0.747 7.095 1.00 0.00 O ATOM 517 CB CYS A 885 -0.291 -2.304 4.460 1.00 0.00 C ATOM 518 SG CYS A 885 0.339 -3.946 4.971 1.00 0.00 S ATOM 0 H CYS A 885 -1.172 -0.009 4.238 1.00 0.00 H new ATOM 0 HA CYS A 885 -2.461 -2.592 4.710 1.00 0.00 H new ATOM 0 HB2 CYS A 885 -0.323 -2.283 3.371 1.00 0.00 H new ATOM 0 HB3 CYS A 885 0.437 -1.555 4.772 1.00 0.00 H new ATOM 0 HG CYS A 885 0.806 -4.574 3.933 1.00 0.00 H new ATOM 523 N ASP A 886 -1.150 -2.698 7.152 1.00 0.00 N ATOM 524 CA ASP A 886 -1.010 -2.708 8.589 1.00 0.00 C ATOM 525 C ASP A 886 0.427 -3.076 8.963 1.00 0.00 C ATOM 526 O ASP A 886 0.851 -2.930 10.107 1.00 0.00 O ATOM 527 CB ASP A 886 -2.021 -3.707 9.208 1.00 0.00 C ATOM 528 CG ASP A 886 -1.974 -3.788 10.726 1.00 0.00 C ATOM 529 OD1 ASP A 886 -2.507 -2.878 11.402 1.00 0.00 O ATOM 530 OD2 ASP A 886 -1.413 -4.775 11.278 1.00 0.00 O ATOM 0 H ASP A 886 -0.774 -3.527 6.692 1.00 0.00 H new ATOM 0 HA ASP A 886 -1.225 -1.716 8.986 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -3.028 -3.423 8.902 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -1.831 -4.699 8.797 1.00 0.00 H new ATOM 535 N ASP A 887 1.205 -3.488 7.975 1.00 0.00 N ATOM 536 CA ASP A 887 2.537 -4.019 8.260 1.00 0.00 C ATOM 537 C ASP A 887 3.697 -3.106 7.834 1.00 0.00 C ATOM 538 O ASP A 887 4.606 -2.843 8.634 1.00 0.00 O ATOM 539 CB ASP A 887 2.702 -5.390 7.594 1.00 0.00 C ATOM 540 CG ASP A 887 3.994 -6.102 7.969 1.00 0.00 C ATOM 541 OD1 ASP A 887 5.031 -5.882 7.328 1.00 0.00 O ATOM 542 OD2 ASP A 887 3.978 -6.940 8.910 1.00 0.00 O ATOM 0 H ASP A 887 0.949 -3.468 6.988 1.00 0.00 H new ATOM 0 HA ASP A 887 2.595 -4.095 9.346 1.00 0.00 H new ATOM 0 HB2 ASP A 887 1.857 -6.021 7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 887 2.668 -5.265 6.512 1.00 0.00 H new ATOM 547 N CYS A 888 3.649 -2.583 6.628 1.00 0.00 N ATOM 548 CA CYS A 888 4.826 -1.961 6.036 1.00 0.00 C ATOM 549 C CYS A 888 4.820 -0.400 6.012 1.00 0.00 C ATOM 550 O CYS A 888 4.641 0.266 7.037 1.00 0.00 O ATOM 551 CB CYS A 888 5.001 -2.557 4.620 1.00 0.00 C ATOM 552 SG CYS A 888 3.528 -2.410 3.550 1.00 0.00 S ATOM 0 H CYS A 888 2.817 -2.573 6.038 1.00 0.00 H new ATOM 0 HA CYS A 888 5.678 -2.190 6.676 1.00 0.00 H new ATOM 0 HB2 CYS A 888 5.840 -2.061 4.132 1.00 0.00 H new ATOM 0 HB3 CYS A 888 5.264 -3.611 4.713 1.00 0.00 H new ATOM 0 HG CYS A 888 2.514 -2.986 4.125 1.00 0.00 H new ATOM 557 N ASP A 889 5.036 0.123 4.822 1.00 0.00 N ATOM 558 CA ASP A 889 5.110 1.550 4.478 1.00 0.00 C ATOM 559 C ASP A 889 4.316 1.633 3.235 1.00 0.00 C ATOM 560 O ASP A 889 4.804 1.391 2.124 1.00 0.00 O ATOM 561 CB ASP A 889 6.559 2.035 4.239 1.00 0.00 C ATOM 562 CG ASP A 889 6.640 3.484 3.741 1.00 0.00 C ATOM 563 OD1 ASP A 889 6.210 4.415 4.469 1.00 0.00 O ATOM 564 OD2 ASP A 889 7.141 3.725 2.623 1.00 0.00 O ATOM 0 H ASP A 889 5.176 -0.470 4.004 1.00 0.00 H new ATOM 0 HA ASP A 889 4.741 2.185 5.283 1.00 0.00 H new ATOM 0 HB2 ASP A 889 7.123 1.945 5.168 1.00 0.00 H new ATOM 0 HB3 ASP A 889 7.038 1.381 3.511 1.00 0.00 H new ATOM 569 N ASP A 890 3.081 1.833 3.446 1.00 0.00 N ATOM 570 CA ASP A 890 2.084 1.573 2.472 1.00 0.00 C ATOM 571 C ASP A 890 1.148 2.712 2.195 1.00 0.00 C ATOM 572 O ASP A 890 0.920 3.538 3.041 1.00 0.00 O ATOM 573 CB ASP A 890 1.244 0.464 3.056 1.00 0.00 C ATOM 574 CG ASP A 890 0.734 0.841 4.457 1.00 0.00 C ATOM 575 OD1 ASP A 890 -0.319 1.488 4.570 1.00 0.00 O ATOM 576 OD2 ASP A 890 1.387 0.509 5.454 1.00 0.00 O ATOM 0 H ASP A 890 2.714 2.194 4.327 1.00 0.00 H new ATOM 0 HA ASP A 890 2.589 1.353 1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 890 0.398 0.259 2.400 1.00 0.00 H new ATOM 0 HB3 ASP A 890 1.832 -0.452 3.113 1.00 0.00 H new ATOM 581 N TRP A 891 0.736 2.763 0.947 1.00 0.00 N ATOM 582 CA TRP A 891 -0.458 3.416 0.420 1.00 0.00 C ATOM 583 C TRP A 891 -0.700 2.820 -0.950 1.00 0.00 C ATOM 584 O TRP A 891 0.166 2.913 -1.819 1.00 0.00 O ATOM 585 CB TRP A 891 -0.391 4.944 0.326 1.00 0.00 C ATOM 586 CG TRP A 891 -0.671 5.667 1.608 1.00 0.00 C ATOM 587 CD1 TRP A 891 0.234 6.268 2.398 1.00 0.00 C ATOM 588 CD2 TRP A 891 -1.944 5.844 2.251 1.00 0.00 C ATOM 589 NE1 TRP A 891 -0.382 6.855 3.480 1.00 0.00 N ATOM 590 CE2 TRP A 891 -1.718 6.606 3.412 1.00 0.00 C ATOM 591 CE3 TRP A 891 -3.247 5.449 1.951 1.00 0.00 C ATOM 592 CZ2 TRP A 891 -2.744 6.979 4.271 1.00 0.00 C ATOM 593 CZ3 TRP A 891 -4.262 5.818 2.805 1.00 0.00 C ATOM 594 CH2 TRP A 891 -4.007 6.579 3.951 1.00 0.00 C ATOM 0 H TRP A 891 1.270 2.311 0.205 1.00 0.00 H new ATOM 0 HA TRP A 891 -1.272 3.235 1.122 1.00 0.00 H new ATOM 0 HB2 TRP A 891 0.601 5.229 -0.026 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -1.105 5.279 -0.427 1.00 0.00 H new ATOM 0 HD1 TRP A 891 1.297 6.288 2.210 1.00 0.00 H new ATOM 0 HE1 TRP A 891 0.086 7.389 4.212 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -3.456 4.865 1.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -2.548 7.563 5.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -5.275 5.514 2.586 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -4.828 6.855 4.596 1.00 0.00 H new ATOM 605 N TYR A 892 -1.819 2.163 -1.132 1.00 0.00 N ATOM 606 CA TYR A 892 -2.129 1.508 -2.397 1.00 0.00 C ATOM 607 C TYR A 892 -3.431 2.026 -2.935 1.00 0.00 C ATOM 608 O TYR A 892 -4.303 2.378 -2.176 1.00 0.00 O ATOM 609 CB TYR A 892 -2.220 -0.010 -2.205 1.00 0.00 C ATOM 610 CG TYR A 892 -0.924 -0.666 -1.785 1.00 0.00 C ATOM 611 CD1 TYR A 892 -0.453 -0.543 -0.490 1.00 0.00 C ATOM 612 CD2 TYR A 892 -0.184 -1.417 -2.682 1.00 0.00 C ATOM 613 CE1 TYR A 892 0.707 -1.143 -0.098 1.00 0.00 C ATOM 614 CE2 TYR A 892 0.988 -2.025 -2.297 1.00 0.00 C ATOM 615 CZ TYR A 892 1.426 -1.883 -0.999 1.00 0.00 C ATOM 616 OH TYR A 892 2.565 -2.506 -0.589 1.00 0.00 O ATOM 0 H TYR A 892 -2.541 2.062 -0.419 1.00 0.00 H new ATOM 0 HA TYR A 892 -1.331 1.727 -3.106 1.00 0.00 H new ATOM 0 HB2 TYR A 892 -2.981 -0.224 -1.455 1.00 0.00 H new ATOM 0 HB3 TYR A 892 -2.556 -0.462 -3.138 1.00 0.00 H new ATOM 0 HD1 TYR A 892 -1.015 0.040 0.225 1.00 0.00 H new ATOM 0 HD2 TYR A 892 -0.532 -1.527 -3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 892 1.057 -1.035 0.918 1.00 0.00 H new ATOM 0 HE2 TYR A 892 1.559 -2.608 -3.005 1.00 0.00 H new ATOM 0 HH TYR A 892 2.333 -3.304 -0.070 1.00 0.00 H new ATOM 626 N HIS A 893 -3.568 2.063 -4.222 1.00 0.00 N ATOM 627 CA HIS A 893 -4.792 2.578 -4.836 1.00 0.00 C ATOM 628 C HIS A 893 -5.890 1.542 -4.765 1.00 0.00 C ATOM 629 O HIS A 893 -5.621 0.343 -4.864 1.00 0.00 O ATOM 630 CB HIS A 893 -4.597 2.949 -6.312 1.00 0.00 C ATOM 631 CG HIS A 893 -3.586 3.994 -6.603 1.00 0.00 C ATOM 632 ND1 HIS A 893 -2.418 3.690 -7.264 1.00 0.00 N ATOM 633 CD2 HIS A 893 -3.632 5.317 -6.365 1.00 0.00 C ATOM 634 CE1 HIS A 893 -1.788 4.858 -7.411 1.00 0.00 C ATOM 635 NE2 HIS A 893 -2.486 5.853 -6.883 1.00 0.00 N ATOM 0 H HIS A 893 -2.859 1.748 -4.884 1.00 0.00 H new ATOM 0 HA HIS A 893 -5.059 3.475 -4.278 1.00 0.00 H new ATOM 0 HB2 HIS A 893 -4.321 2.046 -6.857 1.00 0.00 H new ATOM 0 HB3 HIS A 893 -5.556 3.282 -6.710 1.00 0.00 H new ATOM 0 HD1 HIS A 893 -2.102 2.771 -7.574 1.00 0.00 H new ATOM 0 HD2 HIS A 893 -4.423 5.853 -5.861 1.00 0.00 H new ATOM 0 HE1 HIS A 893 -0.831 4.977 -7.898 1.00 0.00 H new ATOM 643 N TRP A 894 -7.111 2.005 -4.606 1.00 0.00 N ATOM 644 CA TRP A 894 -8.289 1.133 -4.606 1.00 0.00 C ATOM 645 C TRP A 894 -8.378 0.190 -5.836 1.00 0.00 C ATOM 646 O TRP A 894 -8.436 -1.032 -5.657 1.00 0.00 O ATOM 647 CB TRP A 894 -9.581 1.938 -4.453 1.00 0.00 C ATOM 648 CG TRP A 894 -9.888 2.355 -3.061 1.00 0.00 C ATOM 649 CD1 TRP A 894 -9.095 2.226 -1.958 1.00 0.00 C ATOM 650 CD2 TRP A 894 -11.109 2.935 -2.613 1.00 0.00 C ATOM 651 NE1 TRP A 894 -9.746 2.709 -0.858 1.00 0.00 N ATOM 652 CE2 TRP A 894 -10.984 3.153 -1.234 1.00 0.00 C ATOM 653 CE3 TRP A 894 -12.297 3.300 -3.251 1.00 0.00 C ATOM 654 CZ2 TRP A 894 -12.000 3.716 -0.479 1.00 0.00 C ATOM 655 CZ3 TRP A 894 -13.304 3.859 -2.499 1.00 0.00 C ATOM 656 CH2 TRP A 894 -13.148 4.062 -1.128 1.00 0.00 C ATOM 0 H TRP A 894 -7.326 2.993 -4.473 1.00 0.00 H new ATOM 0 HA TRP A 894 -8.166 0.488 -3.736 1.00 0.00 H new ATOM 0 HB2 TRP A 894 -9.515 2.828 -5.079 1.00 0.00 H new ATOM 0 HB3 TRP A 894 -10.412 1.342 -4.832 1.00 0.00 H new ATOM 0 HD1 TRP A 894 -8.101 1.805 -1.955 1.00 0.00 H new ATOM 0 HE1 TRP A 894 -9.370 2.734 0.090 1.00 0.00 H new ATOM 0 HE3 TRP A 894 -12.422 3.146 -4.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 -11.887 3.875 0.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 -14.229 4.145 -2.977 1.00 0.00 H new ATOM 0 HH2 TRP A 894 -13.957 4.505 -0.566 1.00 0.00 H new ATOM 667 N PRO A 895 -8.350 0.716 -7.102 1.00 0.00 N ATOM 668 CA PRO A 895 -8.482 -0.125 -8.315 1.00 0.00 C ATOM 669 C PRO A 895 -7.335 -1.121 -8.510 1.00 0.00 C ATOM 670 O PRO A 895 -7.438 -2.043 -9.316 1.00 0.00 O ATOM 671 CB PRO A 895 -8.478 0.890 -9.461 1.00 0.00 C ATOM 672 CG PRO A 895 -7.800 2.086 -8.899 1.00 0.00 C ATOM 673 CD PRO A 895 -8.223 2.146 -7.473 1.00 0.00 C ATOM 0 HA PRO A 895 -9.378 -0.743 -8.254 1.00 0.00 H new ATOM 0 HB2 PRO A 895 -7.946 0.504 -10.330 1.00 0.00 H new ATOM 0 HB3 PRO A 895 -9.491 1.125 -9.786 1.00 0.00 H new ATOM 0 HG2 PRO A 895 -6.717 2.000 -8.984 1.00 0.00 H new ATOM 0 HG3 PRO A 895 -8.091 2.990 -9.434 1.00 0.00 H new ATOM 0 HD2 PRO A 895 -7.486 2.659 -6.855 1.00 0.00 H new ATOM 0 HD3 PRO A 895 -9.166 2.679 -7.354 1.00 0.00 H new ATOM 681 N CYS A 896 -6.269 -0.955 -7.765 1.00 0.00 N ATOM 682 CA CYS A 896 -5.126 -1.808 -7.904 1.00 0.00 C ATOM 683 C CYS A 896 -5.270 -3.056 -7.053 1.00 0.00 C ATOM 684 O CYS A 896 -4.628 -4.076 -7.308 1.00 0.00 O ATOM 685 CB CYS A 896 -3.904 -1.019 -7.493 1.00 0.00 C ATOM 686 SG CYS A 896 -3.767 0.546 -8.375 1.00 0.00 S ATOM 0 H CYS A 896 -6.174 -0.230 -7.053 1.00 0.00 H new ATOM 0 HA CYS A 896 -5.032 -2.136 -8.939 1.00 0.00 H new ATOM 0 HB2 CYS A 896 -3.943 -0.826 -6.421 1.00 0.00 H new ATOM 0 HB3 CYS A 896 -3.011 -1.616 -7.677 1.00 0.00 H new ATOM 0 HG CYS A 896 -2.514 0.806 -8.606 1.00 0.00 H new ATOM 691 N VAL A 897 -6.104 -2.966 -6.049 1.00 0.00 N ATOM 692 CA VAL A 897 -6.309 -4.065 -5.134 1.00 0.00 C ATOM 693 C VAL A 897 -7.759 -4.529 -5.110 1.00 0.00 C ATOM 694 O VAL A 897 -8.140 -5.379 -4.307 1.00 0.00 O ATOM 695 CB VAL A 897 -5.817 -3.723 -3.707 1.00 0.00 C ATOM 696 CG1 VAL A 897 -4.307 -3.667 -3.688 1.00 0.00 C ATOM 697 CG2 VAL A 897 -6.351 -2.384 -3.274 1.00 0.00 C ATOM 0 H VAL A 897 -6.658 -2.135 -5.841 1.00 0.00 H new ATOM 0 HA VAL A 897 -5.706 -4.893 -5.506 1.00 0.00 H new ATOM 0 HB VAL A 897 -6.175 -4.496 -3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 897 -3.964 -3.426 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 897 -3.903 -4.634 -3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 897 -3.963 -2.900 -4.382 1.00 0.00 H new ATOM 0 HG21 VAL A 897 -5.996 -2.158 -2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 897 -6.004 -1.614 -3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 897 -7.441 -2.409 -3.277 1.00 0.00 H new ATOM 707 N GLY A 898 -8.567 -3.966 -5.983 1.00 0.00 N ATOM 708 CA GLY A 898 -9.936 -4.407 -6.111 1.00 0.00 C ATOM 709 C GLY A 898 -10.877 -3.768 -5.113 1.00 0.00 C ATOM 710 O GLY A 898 -11.933 -4.322 -4.804 1.00 0.00 O ATOM 0 H GLY A 898 -8.300 -3.207 -6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 898 -10.286 -4.187 -7.119 1.00 0.00 H new ATOM 0 HA3 GLY A 898 -9.972 -5.490 -5.990 1.00 0.00 H new ATOM 714 N ILE A 899 -10.511 -2.618 -4.608 1.00 0.00 N ATOM 715 CA ILE A 899 -11.364 -1.911 -3.680 1.00 0.00 C ATOM 716 C ILE A 899 -12.247 -0.983 -4.492 1.00 0.00 C ATOM 717 O ILE A 899 -11.755 -0.147 -5.251 1.00 0.00 O ATOM 718 CB ILE A 899 -10.559 -1.074 -2.659 1.00 0.00 C ATOM 719 CG1 ILE A 899 -9.519 -1.929 -1.925 1.00 0.00 C ATOM 720 CG2 ILE A 899 -11.506 -0.418 -1.650 1.00 0.00 C ATOM 721 CD1 ILE A 899 -10.072 -2.897 -0.917 1.00 0.00 C ATOM 0 H ILE A 899 -9.630 -2.150 -4.821 1.00 0.00 H new ATOM 0 HA ILE A 899 -11.944 -2.639 -3.113 1.00 0.00 H new ATOM 0 HB ILE A 899 -10.027 -0.299 -3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 899 -8.947 -2.489 -2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 899 -8.820 -1.264 -1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 899 -10.928 0.169 -0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 899 -12.203 0.235 -2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 899 -12.063 -1.190 -1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 899 -9.253 -3.450 -0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 899 -10.617 -2.350 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 899 -10.747 -3.594 -1.414 1.00 0.00 H new ATOM 733 N MET A 900 -13.519 -1.150 -4.368 1.00 0.00 N ATOM 734 CA MET A 900 -14.469 -0.368 -5.129 1.00 0.00 C ATOM 735 C MET A 900 -15.354 0.452 -4.199 1.00 0.00 C ATOM 736 O MET A 900 -16.149 1.285 -4.641 1.00 0.00 O ATOM 737 CB MET A 900 -15.302 -1.307 -6.005 1.00 0.00 C ATOM 738 CG MET A 900 -16.137 -2.310 -5.216 1.00 0.00 C ATOM 739 SD MET A 900 -16.830 -3.617 -6.244 1.00 0.00 S ATOM 740 CE MET A 900 -17.702 -2.654 -7.480 1.00 0.00 C ATOM 0 H MET A 900 -13.944 -1.831 -3.738 1.00 0.00 H new ATOM 0 HA MET A 900 -13.936 0.333 -5.771 1.00 0.00 H new ATOM 0 HB2 MET A 900 -15.965 -0.710 -6.632 1.00 0.00 H new ATOM 0 HB3 MET A 900 -14.635 -1.851 -6.674 1.00 0.00 H new ATOM 0 HG2 MET A 900 -15.518 -2.757 -4.439 1.00 0.00 H new ATOM 0 HG3 MET A 900 -16.948 -1.783 -4.713 1.00 0.00 H new ATOM 0 HE1 MET A 900 -18.353 -3.309 -8.059 1.00 0.00 H new ATOM 0 HE2 MET A 900 -18.302 -1.888 -6.988 1.00 0.00 H new ATOM 0 HE3 MET A 900 -16.982 -2.179 -8.146 1.00 0.00 H new ATOM 750 N ALA A 901 -15.199 0.222 -2.925 1.00 0.00 N ATOM 751 CA ALA A 901 -15.953 0.892 -1.896 1.00 0.00 C ATOM 752 C ALA A 901 -15.157 0.784 -0.636 1.00 0.00 C ATOM 753 O ALA A 901 -14.424 -0.191 -0.479 1.00 0.00 O ATOM 754 CB ALA A 901 -17.320 0.238 -1.719 1.00 0.00 C ATOM 0 H ALA A 901 -14.527 -0.454 -2.561 1.00 0.00 H new ATOM 0 HA ALA A 901 -16.126 1.935 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 901 -17.874 0.758 -0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 901 -17.874 0.294 -2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 901 -17.190 -0.807 -1.437 1.00 0.00 H new ATOM 760 N ALA A 902 -15.283 1.760 0.234 1.00 0.00 N ATOM 761 CA ALA A 902 -14.536 1.811 1.469 1.00 0.00 C ATOM 762 C ALA A 902 -14.838 0.599 2.340 1.00 0.00 C ATOM 763 O ALA A 902 -15.976 0.421 2.803 1.00 0.00 O ATOM 764 CB ALA A 902 -14.836 3.103 2.221 1.00 0.00 C ATOM 0 H ALA A 902 -15.915 2.550 0.102 1.00 0.00 H new ATOM 0 HA ALA A 902 -13.474 1.792 1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -14.265 3.125 3.149 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -14.557 3.957 1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -15.901 3.152 2.449 1.00 0.00 H new ATOM 770 N PRO A 903 -13.845 -0.268 2.534 1.00 0.00 N ATOM 771 CA PRO A 903 -13.984 -1.471 3.346 1.00 0.00 C ATOM 772 C PRO A 903 -14.044 -1.126 4.838 1.00 0.00 C ATOM 773 O PRO A 903 -13.683 0.002 5.231 1.00 0.00 O ATOM 774 CB PRO A 903 -12.699 -2.253 3.024 1.00 0.00 C ATOM 775 CG PRO A 903 -11.708 -1.207 2.664 1.00 0.00 C ATOM 776 CD PRO A 903 -12.487 -0.135 1.968 1.00 0.00 C ATOM 0 HA PRO A 903 -14.898 -2.026 3.134 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -12.365 -2.838 3.881 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -12.855 -2.952 2.202 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -11.211 -0.816 3.552 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -10.931 -1.611 2.015 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -12.068 0.853 2.159 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -12.488 -0.277 0.887 1.00 0.00 H new ATOM 845 N GLN A 908 -8.439 -5.932 9.263 1.00 0.00 N ATOM 846 CA GLN A 908 -7.032 -5.859 9.007 1.00 0.00 C ATOM 847 C GLN A 908 -6.829 -6.129 7.542 1.00 0.00 C ATOM 848 O GLN A 908 -7.435 -7.052 6.974 1.00 0.00 O ATOM 849 CB GLN A 908 -6.252 -6.871 9.845 1.00 0.00 C ATOM 850 CG GLN A 908 -6.505 -6.765 11.345 1.00 0.00 C ATOM 851 CD GLN A 908 -6.183 -5.394 11.906 1.00 0.00 C ATOM 852 OE1 GLN A 908 -7.031 -4.513 11.945 1.00 0.00 O ATOM 853 NE2 GLN A 908 -4.974 -5.209 12.347 1.00 0.00 N ATOM 0 HA GLN A 908 -6.659 -4.872 9.280 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -6.511 -7.877 9.514 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -5.187 -6.738 9.657 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -7.550 -6.998 11.549 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -5.905 -7.513 11.863 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -4.292 -5.966 12.299 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -4.707 -4.307 12.741 1.00 0.00 H new ATOM 862 N TRP A 909 -6.019 -5.357 6.937 1.00 0.00 N ATOM 863 CA TRP A 909 -5.812 -5.446 5.528 1.00 0.00 C ATOM 864 C TRP A 909 -4.352 -5.347 5.268 1.00 0.00 C ATOM 865 O TRP A 909 -3.660 -4.537 5.875 1.00 0.00 O ATOM 866 CB TRP A 909 -6.579 -4.323 4.799 1.00 0.00 C ATOM 867 CG TRP A 909 -6.525 -4.373 3.280 1.00 0.00 C ATOM 868 CD1 TRP A 909 -7.420 -4.988 2.443 1.00 0.00 C ATOM 869 CD2 TRP A 909 -5.541 -3.763 2.425 1.00 0.00 C ATOM 870 NE1 TRP A 909 -7.046 -4.787 1.126 1.00 0.00 N ATOM 871 CE2 TRP A 909 -5.901 -4.037 1.098 1.00 0.00 C ATOM 872 CE3 TRP A 909 -4.399 -3.010 2.662 1.00 0.00 C ATOM 873 CZ2 TRP A 909 -5.154 -3.579 0.019 1.00 0.00 C ATOM 874 CZ3 TRP A 909 -3.657 -2.556 1.594 1.00 0.00 C ATOM 875 CH2 TRP A 909 -4.038 -2.838 0.286 1.00 0.00 C ATOM 0 H TRP A 909 -5.469 -4.633 7.399 1.00 0.00 H new ATOM 0 HA TRP A 909 -6.189 -6.396 5.151 1.00 0.00 H new ATOM 0 HB2 TRP A 909 -7.623 -4.359 5.109 1.00 0.00 H new ATOM 0 HB3 TRP A 909 -6.182 -3.363 5.128 1.00 0.00 H new ATOM 0 HD1 TRP A 909 -8.287 -5.546 2.764 1.00 0.00 H new ATOM 0 HE1 TRP A 909 -7.543 -5.140 0.308 1.00 0.00 H new ATOM 0 HE3 TRP A 909 -4.096 -2.783 3.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 -5.446 -3.802 -0.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 -2.766 -1.973 1.775 1.00 0.00 H new ATOM 0 HH2 TRP A 909 -3.441 -2.464 -0.533 1.00 0.00 H new ATOM 886 N PHE A 910 -3.886 -6.188 4.417 1.00 0.00 N ATOM 887 CA PHE A 910 -2.520 -6.217 4.045 1.00 0.00 C ATOM 888 C PHE A 910 -2.472 -6.135 2.564 1.00 0.00 C ATOM 889 O PHE A 910 -3.321 -6.724 1.885 1.00 0.00 O ATOM 890 CB PHE A 910 -1.838 -7.491 4.565 1.00 0.00 C ATOM 891 CG PHE A 910 -1.845 -7.578 6.066 1.00 0.00 C ATOM 892 CD1 PHE A 910 -0.886 -6.916 6.812 1.00 0.00 C ATOM 893 CD2 PHE A 910 -2.829 -8.294 6.732 1.00 0.00 C ATOM 894 CE1 PHE A 910 -0.904 -6.968 8.190 1.00 0.00 C ATOM 895 CE2 PHE A 910 -2.854 -8.343 8.110 1.00 0.00 C ATOM 896 CZ PHE A 910 -1.890 -7.681 8.837 1.00 0.00 C ATOM 0 H PHE A 910 -4.458 -6.891 3.950 1.00 0.00 H new ATOM 0 HA PHE A 910 -1.978 -5.380 4.485 1.00 0.00 H new ATOM 0 HB2 PHE A 910 -2.343 -8.364 4.152 1.00 0.00 H new ATOM 0 HB3 PHE A 910 -0.809 -7.520 4.208 1.00 0.00 H new ATOM 0 HD1 PHE A 910 -0.114 -6.352 6.309 1.00 0.00 H new ATOM 0 HD2 PHE A 910 -3.584 -8.819 6.165 1.00 0.00 H new ATOM 0 HE1 PHE A 910 -0.147 -6.451 8.761 1.00 0.00 H new ATOM 0 HE2 PHE A 910 -3.628 -8.899 8.618 1.00 0.00 H new ATOM 0 HZ PHE A 910 -1.907 -7.721 9.916 1.00 0.00 H new ATOM 906 N CYS A 911 -1.548 -5.380 2.074 1.00 0.00 N ATOM 907 CA CYS A 911 -1.390 -5.138 0.672 1.00 0.00 C ATOM 908 C CYS A 911 -1.024 -6.403 -0.083 1.00 0.00 C ATOM 909 O CYS A 911 -0.643 -7.375 0.526 1.00 0.00 O ATOM 910 CB CYS A 911 -0.291 -4.115 0.540 1.00 0.00 C ATOM 911 SG CYS A 911 1.268 -4.541 1.366 1.00 0.00 S ATOM 0 H CYS A 911 -0.859 -4.898 2.651 1.00 0.00 H new ATOM 0 HA CYS A 911 -2.327 -4.785 0.242 1.00 0.00 H new ATOM 0 HB2 CYS A 911 -0.090 -3.956 -0.520 1.00 0.00 H new ATOM 0 HB3 CYS A 911 -0.649 -3.167 0.942 1.00 0.00 H new ATOM 0 HG CYS A 911 1.712 -3.506 2.015 1.00 0.00 H new ATOM 916 N PRO A 912 -1.097 -6.401 -1.436 1.00 0.00 N ATOM 917 CA PRO A 912 -0.676 -7.549 -2.269 1.00 0.00 C ATOM 918 C PRO A 912 0.784 -7.957 -1.999 1.00 0.00 C ATOM 919 O PRO A 912 1.232 -9.027 -2.412 1.00 0.00 O ATOM 920 CB PRO A 912 -0.827 -7.027 -3.711 1.00 0.00 C ATOM 921 CG PRO A 912 -0.963 -5.547 -3.572 1.00 0.00 C ATOM 922 CD PRO A 912 -1.647 -5.328 -2.266 1.00 0.00 C ATOM 0 HA PRO A 912 -1.269 -8.440 -2.062 1.00 0.00 H new ATOM 0 HB2 PRO A 912 0.039 -7.289 -4.319 1.00 0.00 H new ATOM 0 HB3 PRO A 912 -1.701 -7.460 -4.198 1.00 0.00 H new ATOM 0 HG2 PRO A 912 0.012 -5.060 -3.590 1.00 0.00 H new ATOM 0 HG3 PRO A 912 -1.544 -5.128 -4.394 1.00 0.00 H new ATOM 0 HD2 PRO A 912 -1.428 -4.343 -1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 912 -2.731 -5.401 -2.358 1.00 0.00 H new ATOM 930 N LYS A 913 1.509 -7.090 -1.307 1.00 0.00 N ATOM 931 CA LYS A 913 2.856 -7.351 -0.907 1.00 0.00 C ATOM 932 C LYS A 913 2.841 -8.150 0.396 1.00 0.00 C ATOM 933 O LYS A 913 3.290 -9.297 0.430 1.00 0.00 O ATOM 934 CB LYS A 913 3.630 -6.038 -0.721 1.00 0.00 C ATOM 935 CG LYS A 913 3.677 -5.152 -1.968 1.00 0.00 C ATOM 936 CD LYS A 913 4.375 -5.830 -3.138 1.00 0.00 C ATOM 937 CE LYS A 913 5.835 -6.137 -2.840 1.00 0.00 C ATOM 938 NZ LYS A 913 6.480 -6.830 -3.967 1.00 0.00 N ATOM 0 H LYS A 913 1.160 -6.178 -1.011 1.00 0.00 H new ATOM 0 HA LYS A 913 3.358 -7.928 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 913 3.176 -5.474 0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 913 4.650 -6.271 -0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 913 2.661 -4.886 -2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 913 4.194 -4.222 -1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 913 3.854 -6.756 -3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 913 4.313 -5.188 -4.017 1.00 0.00 H new ATOM 0 HE2 LYS A 913 6.367 -5.210 -2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 913 5.903 -6.755 -1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 7.474 -7.025 -3.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 5.986 -7.726 -4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 6.436 -6.229 -4.815 1.00 0.00 H new ATOM 952 N CYS A 914 2.263 -7.578 1.449 1.00 0.00 N ATOM 953 CA CYS A 914 2.239 -8.244 2.739 1.00 0.00 C ATOM 954 C CYS A 914 1.271 -9.416 2.791 1.00 0.00 C ATOM 955 O CYS A 914 1.487 -10.372 3.536 1.00 0.00 O ATOM 956 CB CYS A 914 2.023 -7.256 3.875 1.00 0.00 C ATOM 957 SG CYS A 914 3.385 -6.083 4.064 1.00 0.00 S ATOM 0 H CYS A 914 1.810 -6.664 1.431 1.00 0.00 H new ATOM 0 HA CYS A 914 3.227 -8.682 2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 914 1.099 -6.705 3.699 1.00 0.00 H new ATOM 0 HB3 CYS A 914 1.893 -7.806 4.807 1.00 0.00 H new ATOM 0 HG CYS A 914 2.965 -4.883 3.791 1.00 0.00 H new ATOM 962 N ALA A 915 0.242 -9.367 1.990 1.00 0.00 N ATOM 963 CA ALA A 915 -0.678 -10.465 1.892 1.00 0.00 C ATOM 964 C ALA A 915 0.027 -11.644 1.268 1.00 0.00 C ATOM 965 O ALA A 915 -0.184 -12.755 1.672 1.00 0.00 O ATOM 966 CB ALA A 915 -1.917 -10.094 1.095 1.00 0.00 C ATOM 0 H ALA A 915 0.019 -8.572 1.392 1.00 0.00 H new ATOM 0 HA ALA A 915 -1.015 -10.727 2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 915 -2.587 -10.952 1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 915 -2.427 -9.263 1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 915 -1.626 -9.801 0.086 1.00 0.00 H new ATOM 972 N ASN A 916 0.938 -11.379 0.336 1.00 0.00 N ATOM 973 CA ASN A 916 1.694 -12.447 -0.317 1.00 0.00 C ATOM 974 C ASN A 916 2.720 -13.035 0.658 1.00 0.00 C ATOM 975 O ASN A 916 3.144 -14.160 0.509 1.00 0.00 O ATOM 976 CB ASN A 916 2.390 -11.955 -1.601 1.00 0.00 C ATOM 977 CG ASN A 916 3.053 -13.085 -2.407 1.00 0.00 C ATOM 978 OD1 ASN A 916 2.446 -14.256 -2.421 1.00 0.00 O flip ATOM 979 ND2 ASN A 916 4.091 -12.889 -3.049 1.00 0.00 N flip ATOM 0 H ASN A 916 1.171 -10.439 0.016 1.00 0.00 H new ATOM 0 HA ASN A 916 0.988 -13.225 -0.609 1.00 0.00 H new ATOM 0 HB2 ASN A 916 1.658 -11.450 -2.231 1.00 0.00 H new ATOM 0 HB3 ASN A 916 3.146 -11.216 -1.335 1.00 0.00 H new ATOM 0 HD21 ASN A 916 4.542 -11.975 -3.022 1.00 0.00 H new ATOM 0 HD22 ASN A 916 4.496 -13.642 -3.605 1.00 0.00 H new ATOM 986 N LYS A 917 3.091 -12.260 1.662 1.00 0.00 N ATOM 987 CA LYS A 917 3.992 -12.733 2.714 1.00 0.00 C ATOM 988 C LYS A 917 3.230 -13.718 3.594 1.00 0.00 C ATOM 989 O LYS A 917 3.704 -14.805 3.912 1.00 0.00 O ATOM 990 CB LYS A 917 4.469 -11.561 3.585 1.00 0.00 C ATOM 991 CG LYS A 917 5.223 -10.468 2.845 1.00 0.00 C ATOM 992 CD LYS A 917 5.492 -9.287 3.769 1.00 0.00 C ATOM 993 CE LYS A 917 6.145 -8.120 3.037 1.00 0.00 C ATOM 994 NZ LYS A 917 6.204 -6.908 3.889 1.00 0.00 N ATOM 0 H LYS A 917 2.784 -11.294 1.777 1.00 0.00 H new ATOM 0 HA LYS A 917 4.860 -13.208 2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 917 3.602 -11.115 4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 917 5.111 -11.953 4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 917 6.165 -10.862 2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 917 4.644 -10.138 1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 917 4.554 -8.955 4.214 1.00 0.00 H new ATOM 0 HD3 LYS A 917 6.137 -9.607 4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 917 7.153 -8.400 2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 917 5.585 -7.900 2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 6.891 -6.237 3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 5.265 -6.462 3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 6.497 -7.174 4.851 1.00 0.00 H new ATOM 1008 N ILE A 918 2.026 -13.327 3.963 1.00 0.00 N ATOM 1009 CA ILE A 918 1.163 -14.142 4.802 1.00 0.00 C ATOM 1010 C ILE A 918 0.657 -15.364 4.024 1.00 0.00 C ATOM 1011 O ILE A 918 0.670 -16.492 4.518 1.00 0.00 O ATOM 1012 CB ILE A 918 -0.041 -13.308 5.325 1.00 0.00 C ATOM 1013 CG1 ILE A 918 0.469 -12.115 6.159 1.00 0.00 C ATOM 1014 CG2 ILE A 918 -1.005 -14.177 6.136 1.00 0.00 C ATOM 1015 CD1 ILE A 918 -0.622 -11.206 6.681 1.00 0.00 C ATOM 0 H ILE A 918 1.616 -12.434 3.690 1.00 0.00 H new ATOM 0 HA ILE A 918 1.746 -14.485 5.657 1.00 0.00 H new ATOM 0 HB ILE A 918 -0.595 -12.923 4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 918 1.042 -12.497 7.004 1.00 0.00 H new ATOM 0 HG13 ILE A 918 1.154 -11.527 5.548 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -1.836 -13.567 6.488 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -1.386 -14.981 5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -0.480 -14.603 6.991 1.00 0.00 H new ATOM 0 HD11 ILE A 918 -0.176 -10.395 7.256 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -1.182 -10.791 5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 918 -1.295 -11.776 7.321 1.00 0.00 H new