USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=15 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 -152:sc= 0.981 USER MOD Set 1.2: A 873 CYS SG : rot -74:sc= -1.57! USER MOD Set 1.3: A 893 HIS : no HE2:sc= -0.6 X(o=-5.5,f=-5.8) USER MOD Set 1.4: A 896 CYS SG : rot 39:sc= -4.3! USER MOD Set 2.1: A 885 CYS SG : rot -169:sc= 0.988! USER MOD Set 2.2: A 888 CYS SG : rot -88:sc= -0.177 USER MOD Set 2.3: A 892 TYR OH : rot 84:sc= 1.23 USER MOD Set 2.4: A 911 CYS SG : rot -78:sc= 0.483 USER MOD Set 2.5: A 914 CYS SG : rot 50:sc= -0.279! USER MOD Set 2.6: A 917 LYS NZ :NH3+ 150:sc= 0.899 (180deg=-0.104) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= 0.13 X(o=0.13,f=-0.094) USER MOD Single : A 866 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 874 ASN :FLIP amide:sc= -0.0283 F(o=-1.1!,f=-0.028) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 880 SER OG : rot 65:sc= 1.3 USER MOD Single : A 882 MET CE :methyl -123:sc= -0.014 (180deg=-0.695) USER MOD Single : A 900 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 908 GLN : amide:sc= 0 K(o=0,f=-0.75) 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=-0.56,f=0) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 857 9.973 5.401 -6.592 1.00 0.00 N ATOM 93 CA TYR A 857 8.660 5.105 -6.027 1.00 0.00 C ATOM 94 C TYR A 857 8.345 6.030 -4.872 1.00 0.00 C ATOM 95 O TYR A 857 7.286 5.952 -4.256 1.00 0.00 O ATOM 96 CB TYR A 857 8.560 3.623 -5.613 1.00 0.00 C ATOM 97 CG TYR A 857 8.857 2.675 -6.762 1.00 0.00 C ATOM 98 CD1 TYR A 857 7.958 2.515 -7.807 1.00 0.00 C ATOM 99 CD2 TYR A 857 10.048 1.966 -6.813 1.00 0.00 C ATOM 100 CE1 TYR A 857 8.240 1.684 -8.871 1.00 0.00 C ATOM 101 CE2 TYR A 857 10.333 1.128 -7.870 1.00 0.00 C ATOM 102 CZ TYR A 857 9.428 0.993 -8.897 1.00 0.00 C ATOM 103 OH TYR A 857 9.716 0.166 -9.955 1.00 0.00 O ATOM 0 HA TYR A 857 7.910 5.281 -6.799 1.00 0.00 H new ATOM 0 HB2 TYR A 857 9.257 3.429 -4.798 1.00 0.00 H new ATOM 0 HB3 TYR A 857 7.559 3.423 -5.231 1.00 0.00 H new ATOM 0 HD1 TYR A 857 7.021 3.051 -7.787 1.00 0.00 H new ATOM 0 HD2 TYR A 857 10.764 2.072 -6.011 1.00 0.00 H new ATOM 0 HE1 TYR A 857 7.532 1.577 -9.679 1.00 0.00 H new ATOM 0 HE2 TYR A 857 11.263 0.580 -7.892 1.00 0.00 H new ATOM 0 HH TYR A 857 10.595 -0.246 -9.818 1.00 0.00 H new ATOM 113 N VAL A 858 9.264 6.919 -4.608 1.00 0.00 N ATOM 114 CA VAL A 858 9.125 7.896 -3.563 1.00 0.00 C ATOM 115 C VAL A 858 9.568 9.214 -4.142 1.00 0.00 C ATOM 116 O VAL A 858 10.696 9.333 -4.612 1.00 0.00 O ATOM 117 CB VAL A 858 10.005 7.574 -2.307 1.00 0.00 C ATOM 118 CG1 VAL A 858 9.755 8.585 -1.184 1.00 0.00 C ATOM 119 CG2 VAL A 858 9.766 6.157 -1.802 1.00 0.00 C ATOM 0 H VAL A 858 10.143 6.986 -5.121 1.00 0.00 H new ATOM 0 HA VAL A 858 8.089 7.907 -3.226 1.00 0.00 H new ATOM 0 HB VAL A 858 11.047 7.650 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 858 10.379 8.337 -0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 858 10.002 9.587 -1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 858 8.706 8.552 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 858 10.394 5.971 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 858 8.718 6.041 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 858 10.015 5.444 -2.588 1.00 0.00 H new ATOM 129 N ILE A 859 8.669 10.150 -4.187 1.00 0.00 N ATOM 130 CA ILE A 859 8.952 11.484 -4.682 1.00 0.00 C ATOM 131 C ILE A 859 8.380 12.446 -3.638 1.00 0.00 C ATOM 132 O ILE A 859 7.632 12.009 -2.763 1.00 0.00 O ATOM 133 CB ILE A 859 8.270 11.728 -6.093 1.00 0.00 C ATOM 134 CG1 ILE A 859 8.616 10.586 -7.074 1.00 0.00 C ATOM 135 CG2 ILE A 859 8.715 13.065 -6.697 1.00 0.00 C ATOM 136 CD1 ILE A 859 7.958 10.707 -8.439 1.00 0.00 C ATOM 0 H ILE A 859 7.705 10.018 -3.880 1.00 0.00 H new ATOM 0 HA ILE A 859 10.022 11.631 -4.825 1.00 0.00 H new ATOM 0 HB ILE A 859 7.192 11.752 -5.934 1.00 0.00 H new ATOM 0 HG12 ILE A 859 9.697 10.554 -7.207 1.00 0.00 H new ATOM 0 HG13 ILE A 859 8.322 9.637 -6.626 1.00 0.00 H new ATOM 0 HG21 ILE A 859 8.232 13.206 -7.664 1.00 0.00 H new ATOM 0 HG22 ILE A 859 8.433 13.878 -6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 859 9.797 13.063 -6.829 1.00 0.00 H new ATOM 0 HD11 ILE A 859 8.256 9.864 -9.063 1.00 0.00 H new ATOM 0 HD12 ILE A 859 6.874 10.707 -8.322 1.00 0.00 H new ATOM 0 HD13 ILE A 859 8.271 11.637 -8.913 1.00 0.00 H new ATOM 148 N ARG A 860 8.738 13.699 -3.675 1.00 0.00 N ATOM 149 CA ARG A 860 8.196 14.659 -2.751 1.00 0.00 C ATOM 150 C ARG A 860 7.449 15.694 -3.545 1.00 0.00 C ATOM 151 O ARG A 860 7.804 15.962 -4.698 1.00 0.00 O ATOM 152 CB ARG A 860 9.308 15.351 -1.957 1.00 0.00 C ATOM 153 CG ARG A 860 10.229 14.407 -1.205 1.00 0.00 C ATOM 154 CD ARG A 860 11.315 15.172 -0.467 1.00 0.00 C ATOM 155 NE ARG A 860 12.115 16.023 -1.368 1.00 0.00 N ATOM 156 CZ ARG A 860 13.269 16.626 -1.045 1.00 0.00 C ATOM 157 NH1 ARG A 860 13.816 16.440 0.157 1.00 0.00 N ATOM 158 NH2 ARG A 860 13.881 17.409 -1.941 1.00 0.00 N ATOM 0 H ARG A 860 9.409 14.083 -4.341 1.00 0.00 H new ATOM 0 HA ARG A 860 7.541 14.148 -2.046 1.00 0.00 H new ATOM 0 HB2 ARG A 860 9.906 15.952 -2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 860 8.853 16.039 -1.244 1.00 0.00 H new ATOM 0 HG2 ARG A 860 9.649 13.817 -0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 860 10.685 13.706 -1.904 1.00 0.00 H new ATOM 0 HD2 ARG A 860 10.858 15.793 0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 860 11.972 14.466 0.040 1.00 0.00 H new ATOM 0 HE ARG A 860 11.762 16.165 -2.314 1.00 0.00 H new ATOM 0 HH11 ARG A 860 13.357 15.836 0.838 1.00 0.00 H new ATOM 0 HH12 ARG A 860 14.694 16.902 0.395 1.00 0.00 H new ATOM 0 HH21 ARG A 860 13.470 17.545 -2.865 1.00 0.00 H new ATOM 0 HH22 ARG A 860 14.759 17.870 -1.700 1.00 0.00 H new ATOM 172 N ASP A 861 6.410 16.239 -2.985 1.00 0.00 N ATOM 173 CA ASP A 861 5.698 17.325 -3.658 1.00 0.00 C ATOM 174 C ASP A 861 6.394 18.640 -3.318 1.00 0.00 C ATOM 175 O ASP A 861 7.422 18.643 -2.626 1.00 0.00 O ATOM 176 CB ASP A 861 4.196 17.402 -3.277 1.00 0.00 C ATOM 177 CG ASP A 861 3.913 18.193 -2.029 1.00 0.00 C ATOM 178 OD1 ASP A 861 4.396 17.842 -0.968 1.00 0.00 O ATOM 179 OD2 ASP A 861 3.243 19.234 -2.118 1.00 0.00 O ATOM 0 H ASP A 861 6.028 15.967 -2.079 1.00 0.00 H new ATOM 0 HA ASP A 861 5.727 17.130 -4.730 1.00 0.00 H new ATOM 0 HB2 ASP A 861 3.645 17.845 -4.107 1.00 0.00 H new ATOM 0 HB3 ASP A 861 3.814 16.390 -3.146 1.00 0.00 H new ATOM 184 N GLU A 862 5.835 19.735 -3.772 1.00 0.00 N ATOM 185 CA GLU A 862 6.411 21.047 -3.557 1.00 0.00 C ATOM 186 C GLU A 862 6.378 21.447 -2.084 1.00 0.00 C ATOM 187 O GLU A 862 7.230 22.202 -1.617 1.00 0.00 O ATOM 188 CB GLU A 862 5.710 22.054 -4.441 1.00 0.00 C ATOM 189 CG GLU A 862 5.845 21.683 -5.898 1.00 0.00 C ATOM 190 CD GLU A 862 5.121 22.600 -6.839 1.00 0.00 C ATOM 191 OE1 GLU A 862 5.407 23.805 -6.852 1.00 0.00 O ATOM 192 OE2 GLU A 862 4.244 22.115 -7.594 1.00 0.00 O ATOM 0 H GLU A 862 4.964 19.745 -4.303 1.00 0.00 H new ATOM 0 HA GLU A 862 7.465 21.020 -3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 862 4.655 22.107 -4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 862 6.132 23.045 -4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 862 6.903 21.673 -6.162 1.00 0.00 H new ATOM 0 HG3 GLU A 862 5.471 20.669 -6.039 1.00 0.00 H new ATOM 199 N TRP A 863 5.419 20.918 -1.354 1.00 0.00 N ATOM 200 CA TRP A 863 5.343 21.158 0.084 1.00 0.00 C ATOM 201 C TRP A 863 6.355 20.287 0.817 1.00 0.00 C ATOM 202 O TRP A 863 7.125 20.772 1.649 1.00 0.00 O ATOM 203 CB TRP A 863 3.930 20.910 0.617 1.00 0.00 C ATOM 204 CG TRP A 863 3.825 21.097 2.099 1.00 0.00 C ATOM 205 CD1 TRP A 863 3.706 20.124 3.033 1.00 0.00 C ATOM 206 CD2 TRP A 863 3.866 22.338 2.817 1.00 0.00 C ATOM 207 NE1 TRP A 863 3.657 20.675 4.278 1.00 0.00 N ATOM 208 CE2 TRP A 863 3.752 22.031 4.178 1.00 0.00 C ATOM 209 CE3 TRP A 863 3.984 23.669 2.438 1.00 0.00 C ATOM 210 CZ2 TRP A 863 3.751 23.010 5.168 1.00 0.00 C ATOM 211 CZ3 TRP A 863 3.987 24.647 3.415 1.00 0.00 C ATOM 212 CH2 TRP A 863 3.869 24.311 4.767 1.00 0.00 C ATOM 0 H TRP A 863 4.680 20.320 -1.725 1.00 0.00 H new ATOM 0 HA TRP A 863 5.584 22.205 0.265 1.00 0.00 H new ATOM 0 HB2 TRP A 863 3.236 21.588 0.120 1.00 0.00 H new ATOM 0 HB3 TRP A 863 3.623 19.896 0.361 1.00 0.00 H new ATOM 0 HD1 TRP A 863 3.657 19.066 2.822 1.00 0.00 H new ATOM 0 HE1 TRP A 863 3.564 20.154 5.150 1.00 0.00 H new ATOM 0 HE3 TRP A 863 4.072 23.936 1.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 3.660 22.751 6.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 4.082 25.684 3.130 1.00 0.00 H new ATOM 0 HH2 TRP A 863 3.871 25.095 5.509 1.00 0.00 H new ATOM 223 N GLY A 864 6.374 19.019 0.484 1.00 0.00 N ATOM 224 CA GLY A 864 7.284 18.104 1.131 1.00 0.00 C ATOM 225 C GLY A 864 6.578 16.873 1.642 1.00 0.00 C ATOM 226 O GLY A 864 6.990 16.267 2.632 1.00 0.00 O ATOM 0 H GLY A 864 5.774 18.599 -0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 864 8.063 17.810 0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 864 7.778 18.610 1.961 1.00 0.00 H new ATOM 230 N ASN A 865 5.505 16.527 0.993 1.00 0.00 N ATOM 231 CA ASN A 865 4.747 15.337 1.296 1.00 0.00 C ATOM 232 C ASN A 865 5.346 14.219 0.500 1.00 0.00 C ATOM 233 O ASN A 865 5.989 14.467 -0.536 1.00 0.00 O ATOM 234 CB ASN A 865 3.269 15.481 0.865 1.00 0.00 C ATOM 235 CG ASN A 865 2.496 16.581 1.569 1.00 0.00 C ATOM 236 OD1 ASN A 865 1.879 16.358 2.610 1.00 0.00 O ATOM 237 ND2 ASN A 865 2.512 17.765 1.017 1.00 0.00 N ATOM 0 H ASN A 865 5.120 17.072 0.221 1.00 0.00 H new ATOM 0 HA ASN A 865 4.779 15.157 2.371 1.00 0.00 H new ATOM 0 HB2 ASN A 865 3.236 15.666 -0.209 1.00 0.00 H new ATOM 0 HB3 ASN A 865 2.762 14.532 1.041 1.00 0.00 H new ATOM 0 HD21 ASN A 865 2.003 18.536 1.449 1.00 0.00 H new ATOM 0 HD22 ASN A 865 3.033 17.918 0.154 1.00 0.00 H new ATOM 244 N GLN A 866 5.162 13.013 0.953 1.00 0.00 N ATOM 245 CA GLN A 866 5.636 11.878 0.219 1.00 0.00 C ATOM 246 C GLN A 866 4.649 11.520 -0.829 1.00 0.00 C ATOM 247 O GLN A 866 3.449 11.428 -0.573 1.00 0.00 O ATOM 248 CB GLN A 866 5.881 10.675 1.107 1.00 0.00 C ATOM 249 CG GLN A 866 7.053 10.829 2.036 1.00 0.00 C ATOM 250 CD GLN A 866 7.235 9.621 2.922 1.00 0.00 C ATOM 251 OE1 GLN A 866 6.902 8.499 2.546 1.00 0.00 O ATOM 252 NE2 GLN A 866 7.760 9.828 4.092 1.00 0.00 N ATOM 0 H GLN A 866 4.687 12.791 1.828 1.00 0.00 H new ATOM 0 HA GLN A 866 6.590 12.156 -0.229 1.00 0.00 H new ATOM 0 HB2 GLN A 866 4.985 10.484 1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 866 6.041 9.799 0.478 1.00 0.00 H new ATOM 0 HG2 GLN A 866 7.959 10.990 1.452 1.00 0.00 H new ATOM 0 HG3 GLN A 866 6.911 11.715 2.655 1.00 0.00 H new ATOM 0 HE21 GLN A 866 8.025 10.772 4.372 1.00 0.00 H new ATOM 0 HE22 GLN A 866 7.907 9.046 4.730 1.00 0.00 H new ATOM 261 N ILE A 867 5.130 11.367 -1.998 1.00 0.00 N ATOM 262 CA ILE A 867 4.319 10.943 -3.074 1.00 0.00 C ATOM 263 C ILE A 867 4.417 9.471 -3.145 1.00 0.00 C ATOM 264 O ILE A 867 5.430 8.913 -3.575 1.00 0.00 O ATOM 265 CB ILE A 867 4.716 11.555 -4.419 1.00 0.00 C ATOM 266 CG1 ILE A 867 4.693 13.069 -4.339 1.00 0.00 C ATOM 267 CG2 ILE A 867 3.766 11.083 -5.517 1.00 0.00 C ATOM 268 CD1 ILE A 867 3.350 13.631 -3.936 1.00 0.00 C ATOM 0 H ILE A 867 6.106 11.533 -2.242 1.00 0.00 H new ATOM 0 HA ILE A 867 3.299 11.279 -2.887 1.00 0.00 H new ATOM 0 HB ILE A 867 5.728 11.229 -4.659 1.00 0.00 H new ATOM 0 HG12 ILE A 867 5.446 13.398 -3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 867 4.974 13.480 -5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 867 4.060 11.526 -6.468 1.00 0.00 H new ATOM 0 HG22 ILE A 867 3.810 9.997 -5.594 1.00 0.00 H new ATOM 0 HG23 ILE A 867 2.748 11.389 -5.274 1.00 0.00 H new ATOM 0 HD11 ILE A 867 3.407 14.719 -3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 867 2.597 13.332 -4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 867 3.076 13.249 -2.953 1.00 0.00 H new ATOM 280 N TRP A 868 3.407 8.872 -2.669 1.00 0.00 N ATOM 281 CA TRP A 868 3.315 7.456 -2.600 1.00 0.00 C ATOM 282 C TRP A 868 3.033 6.887 -3.947 1.00 0.00 C ATOM 283 O TRP A 868 1.995 7.174 -4.561 1.00 0.00 O ATOM 284 CB TRP A 868 2.247 7.025 -1.604 1.00 0.00 C ATOM 285 CG TRP A 868 2.569 7.409 -0.197 1.00 0.00 C ATOM 286 CD1 TRP A 868 3.500 6.832 0.607 1.00 0.00 C ATOM 287 CD2 TRP A 868 1.955 8.448 0.578 1.00 0.00 C ATOM 288 NE1 TRP A 868 3.518 7.453 1.830 1.00 0.00 N ATOM 289 CE2 TRP A 868 2.579 8.446 1.839 1.00 0.00 C ATOM 290 CE3 TRP A 868 0.945 9.379 0.327 1.00 0.00 C ATOM 291 CZ2 TRP A 868 2.227 9.340 2.843 1.00 0.00 C ATOM 292 CZ3 TRP A 868 0.596 10.263 1.327 1.00 0.00 C ATOM 293 CH2 TRP A 868 1.236 10.237 2.567 1.00 0.00 C ATOM 0 H TRP A 868 2.589 9.357 -2.302 1.00 0.00 H new ATOM 0 HA TRP A 868 4.274 7.071 -2.253 1.00 0.00 H new ATOM 0 HB2 TRP A 868 1.294 7.471 -1.887 1.00 0.00 H new ATOM 0 HB3 TRP A 868 2.122 5.944 -1.660 1.00 0.00 H new ATOM 0 HD1 TRP A 868 4.134 6.005 0.324 1.00 0.00 H new ATOM 0 HE1 TRP A 868 4.133 7.212 2.607 1.00 0.00 H new ATOM 0 HE3 TRP A 868 0.447 9.406 -0.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 2.719 9.326 3.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -0.185 10.987 1.147 1.00 0.00 H new ATOM 0 HH2 TRP A 868 0.940 10.944 3.327 1.00 0.00 H new ATOM 304 N ILE A 869 3.972 6.159 -4.441 1.00 0.00 N ATOM 305 CA ILE A 869 3.798 5.462 -5.652 1.00 0.00 C ATOM 306 C ILE A 869 3.449 4.048 -5.315 1.00 0.00 C ATOM 307 O ILE A 869 4.246 3.331 -4.705 1.00 0.00 O ATOM 308 CB ILE A 869 5.037 5.561 -6.580 1.00 0.00 C ATOM 309 CG1 ILE A 869 5.224 7.027 -7.010 1.00 0.00 C ATOM 310 CG2 ILE A 869 4.892 4.643 -7.793 1.00 0.00 C ATOM 311 CD1 ILE A 869 6.352 7.282 -7.973 1.00 0.00 C ATOM 0 H ILE A 869 4.887 6.034 -4.008 1.00 0.00 H new ATOM 0 HA ILE A 869 2.989 5.916 -6.224 1.00 0.00 H new ATOM 0 HB ILE A 869 5.922 5.231 -6.036 1.00 0.00 H new ATOM 0 HG12 ILE A 869 4.296 7.375 -7.464 1.00 0.00 H new ATOM 0 HG13 ILE A 869 5.388 7.631 -6.118 1.00 0.00 H new ATOM 0 HG21 ILE A 869 5.775 4.734 -8.425 1.00 0.00 H new ATOM 0 HG22 ILE A 869 4.790 3.611 -7.458 1.00 0.00 H new ATOM 0 HG23 ILE A 869 4.007 4.929 -8.362 1.00 0.00 H new ATOM 0 HD11 ILE A 869 6.395 8.345 -8.210 1.00 0.00 H new ATOM 0 HD12 ILE A 869 7.294 6.973 -7.520 1.00 0.00 H new ATOM 0 HD13 ILE A 869 6.185 6.713 -8.888 1.00 0.00 H new ATOM 323 N CYS A 870 2.228 3.697 -5.647 1.00 0.00 N ATOM 324 CA CYS A 870 1.666 2.416 -5.394 1.00 0.00 C ATOM 325 C CYS A 870 2.451 1.364 -6.174 1.00 0.00 C ATOM 326 O CYS A 870 2.437 1.360 -7.405 1.00 0.00 O ATOM 327 CB CYS A 870 0.190 2.461 -5.838 1.00 0.00 C ATOM 328 SG CYS A 870 -0.791 0.941 -5.676 1.00 0.00 S ATOM 0 H CYS A 870 1.584 4.331 -6.119 1.00 0.00 H new ATOM 0 HA CYS A 870 1.718 2.155 -4.337 1.00 0.00 H new ATOM 0 HB2 CYS A 870 -0.308 3.243 -5.265 1.00 0.00 H new ATOM 0 HB3 CYS A 870 0.164 2.766 -6.884 1.00 0.00 H new ATOM 0 HG CYS A 870 -1.732 0.934 -6.573 1.00 0.00 H new ATOM 333 N PRO A 871 3.166 0.481 -5.471 1.00 0.00 N ATOM 334 CA PRO A 871 3.961 -0.596 -6.083 1.00 0.00 C ATOM 335 C PRO A 871 3.123 -1.546 -6.946 1.00 0.00 C ATOM 336 O PRO A 871 3.661 -2.306 -7.752 1.00 0.00 O ATOM 337 CB PRO A 871 4.517 -1.357 -4.883 1.00 0.00 C ATOM 338 CG PRO A 871 4.502 -0.376 -3.770 1.00 0.00 C ATOM 339 CD PRO A 871 3.311 0.499 -4.006 1.00 0.00 C ATOM 0 HA PRO A 871 4.719 -0.190 -6.753 1.00 0.00 H new ATOM 0 HB2 PRO A 871 3.906 -2.229 -4.650 1.00 0.00 H new ATOM 0 HB3 PRO A 871 5.527 -1.719 -5.078 1.00 0.00 H new ATOM 0 HG2 PRO A 871 4.430 -0.881 -2.806 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.420 0.211 -3.755 1.00 0.00 H new ATOM 0 HD2 PRO A 871 2.422 0.112 -3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 871 3.472 1.509 -3.630 1.00 0.00 H new ATOM 347 N GLY A 872 1.818 -1.493 -6.776 1.00 0.00 N ATOM 348 CA GLY A 872 0.934 -2.344 -7.517 1.00 0.00 C ATOM 349 C GLY A 872 0.848 -1.973 -8.979 1.00 0.00 C ATOM 350 O GLY A 872 0.896 -2.840 -9.850 1.00 0.00 O ATOM 0 H GLY A 872 1.351 -0.862 -6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 872 1.273 -3.376 -7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 872 -0.062 -2.297 -7.076 1.00 0.00 H new ATOM 354 N CYS A 873 0.749 -0.696 -9.244 1.00 0.00 N ATOM 355 CA CYS A 873 0.587 -0.204 -10.588 1.00 0.00 C ATOM 356 C CYS A 873 1.853 0.489 -11.061 1.00 0.00 C ATOM 357 O CYS A 873 2.123 0.569 -12.268 1.00 0.00 O ATOM 358 CB CYS A 873 -0.537 0.798 -10.541 1.00 0.00 C ATOM 359 SG CYS A 873 -0.302 2.000 -9.211 1.00 0.00 S ATOM 0 H CYS A 873 0.779 0.034 -8.532 1.00 0.00 H new ATOM 0 HA CYS A 873 0.377 -1.024 -11.275 1.00 0.00 H new ATOM 0 HB2 CYS A 873 -0.601 1.319 -11.496 1.00 0.00 H new ATOM 0 HB3 CYS A 873 -1.484 0.277 -10.398 1.00 0.00 H new ATOM 0 HG CYS A 873 -0.542 1.433 -8.066 1.00 0.00 H new ATOM 364 N ASN A 874 2.600 1.002 -10.079 1.00 0.00 N ATOM 365 CA ASN A 874 3.810 1.801 -10.255 1.00 0.00 C ATOM 366 C ASN A 874 3.430 3.218 -10.633 1.00 0.00 C ATOM 367 O ASN A 874 4.218 3.963 -11.227 1.00 0.00 O ATOM 368 CB ASN A 874 4.834 1.174 -11.237 1.00 0.00 C ATOM 369 CG ASN A 874 5.415 -0.160 -10.752 1.00 0.00 C ATOM 370 OD1 ASN A 874 5.550 -0.330 -9.451 1.00 0.00 O flip ATOM 371 ND2 ASN A 874 5.762 -1.031 -11.562 1.00 0.00 N flip ATOM 0 H ASN A 874 2.365 0.864 -9.096 1.00 0.00 H new ATOM 0 HA ASN A 874 4.335 1.821 -9.300 1.00 0.00 H new ATOM 0 HB2 ASN A 874 4.352 1.021 -12.202 1.00 0.00 H new ATOM 0 HB3 ASN A 874 5.650 1.879 -11.397 1.00 0.00 H new ATOM 0 HD21 ASN A 874 5.646 -0.872 -12.563 1.00 0.00 H new ATOM 0 HD22 ASN A 874 6.164 -1.907 -11.228 1.00 0.00 H new ATOM 378 N LYS A 875 2.215 3.600 -10.235 1.00 0.00 N ATOM 379 CA LYS A 875 1.704 4.932 -10.457 1.00 0.00 C ATOM 380 C LYS A 875 1.637 5.701 -9.139 1.00 0.00 C ATOM 381 O LYS A 875 1.286 5.135 -8.085 1.00 0.00 O ATOM 382 CB LYS A 875 0.303 4.892 -11.068 1.00 0.00 C ATOM 383 CG LYS A 875 0.217 4.155 -12.380 1.00 0.00 C ATOM 384 CD LYS A 875 -1.214 4.073 -12.880 1.00 0.00 C ATOM 385 CE LYS A 875 -1.283 3.322 -14.192 1.00 0.00 C ATOM 386 NZ LYS A 875 -2.656 3.234 -14.717 1.00 0.00 N ATOM 0 H LYS A 875 1.564 2.983 -9.749 1.00 0.00 H new ATOM 0 HA LYS A 875 2.383 5.431 -11.148 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -0.377 4.423 -10.357 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -0.045 5.914 -11.216 1.00 0.00 H new ATOM 0 HG2 LYS A 875 0.835 4.660 -13.123 1.00 0.00 H new ATOM 0 HG3 LYS A 875 0.620 3.149 -12.261 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -1.836 3.573 -12.137 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -1.617 5.078 -13.009 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -0.648 3.818 -14.925 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -0.885 2.317 -14.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -2.651 2.711 -15.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -3.259 2.737 -14.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -3.029 4.192 -14.876 1.00 0.00 H new ATOM 400 N PRO A 876 2.004 6.981 -9.176 1.00 0.00 N ATOM 401 CA PRO A 876 1.921 7.881 -8.027 1.00 0.00 C ATOM 402 C PRO A 876 0.489 8.257 -7.670 1.00 0.00 C ATOM 403 O PRO A 876 -0.477 7.864 -8.356 1.00 0.00 O ATOM 404 CB PRO A 876 2.666 9.138 -8.490 1.00 0.00 C ATOM 405 CG PRO A 876 2.605 9.098 -9.974 1.00 0.00 C ATOM 406 CD PRO A 876 2.567 7.652 -10.361 1.00 0.00 C ATOM 0 HA PRO A 876 2.336 7.410 -7.136 1.00 0.00 H new ATOM 0 HB2 PRO A 876 2.196 10.041 -8.100 1.00 0.00 H new ATOM 0 HB3 PRO A 876 3.697 9.138 -8.137 1.00 0.00 H new ATOM 0 HG2 PRO A 876 1.721 9.620 -10.340 1.00 0.00 H new ATOM 0 HG3 PRO A 876 3.472 9.594 -10.411 1.00 0.00 H new ATOM 0 HD2 PRO A 876 1.947 7.491 -11.243 1.00 0.00 H new ATOM 0 HD3 PRO A 876 3.562 7.276 -10.598 1.00 0.00 H new ATOM 414 N ASP A 877 0.362 8.964 -6.564 1.00 0.00 N ATOM 415 CA ASP A 877 -0.899 9.530 -6.134 1.00 0.00 C ATOM 416 C ASP A 877 -1.430 10.468 -7.208 1.00 0.00 C ATOM 417 O ASP A 877 -0.827 11.507 -7.505 1.00 0.00 O ATOM 418 CB ASP A 877 -0.730 10.296 -4.821 1.00 0.00 C ATOM 419 CG ASP A 877 -2.015 10.968 -4.378 1.00 0.00 C ATOM 420 OD1 ASP A 877 -2.804 10.343 -3.681 1.00 0.00 O ATOM 421 OD2 ASP A 877 -2.254 12.153 -4.726 1.00 0.00 O ATOM 0 H ASP A 877 1.139 9.163 -5.934 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.607 8.717 -5.972 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -0.394 9.610 -4.043 1.00 0.00 H new ATOM 0 HB3 ASP A 877 0.049 11.049 -4.940 1.00 0.00 H new ATOM 426 N ASP A 878 -2.508 10.070 -7.805 1.00 0.00 N ATOM 427 CA ASP A 878 -3.147 10.820 -8.866 1.00 0.00 C ATOM 428 C ASP A 878 -4.375 11.532 -8.329 1.00 0.00 C ATOM 429 O ASP A 878 -5.016 12.324 -9.035 1.00 0.00 O ATOM 430 CB ASP A 878 -3.580 9.855 -9.964 1.00 0.00 C ATOM 431 CG ASP A 878 -4.636 8.894 -9.474 1.00 0.00 C ATOM 432 OD1 ASP A 878 -4.312 7.993 -8.662 1.00 0.00 O ATOM 433 OD2 ASP A 878 -5.808 9.034 -9.870 1.00 0.00 O ATOM 0 H ASP A 878 -2.986 9.200 -7.572 1.00 0.00 H new ATOM 0 HA ASP A 878 -2.445 11.554 -9.261 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -3.966 10.419 -10.813 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -2.715 9.295 -10.320 1.00 0.00 H new ATOM 438 N GLY A 879 -4.707 11.246 -7.092 1.00 0.00 N ATOM 439 CA GLY A 879 -5.874 11.828 -6.484 1.00 0.00 C ATOM 440 C GLY A 879 -6.892 10.781 -6.091 1.00 0.00 C ATOM 441 O GLY A 879 -7.784 11.048 -5.275 1.00 0.00 O ATOM 0 H GLY A 879 -4.183 10.613 -6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -5.578 12.395 -5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -6.330 12.534 -7.178 1.00 0.00 H new ATOM 445 N SER A 880 -6.769 9.589 -6.658 1.00 0.00 N ATOM 446 CA SER A 880 -7.668 8.499 -6.353 1.00 0.00 C ATOM 447 C SER A 880 -7.467 8.014 -4.905 1.00 0.00 C ATOM 448 O SER A 880 -6.390 8.221 -4.318 1.00 0.00 O ATOM 449 CB SER A 880 -7.460 7.354 -7.341 1.00 0.00 C ATOM 450 OG SER A 880 -7.738 7.774 -8.667 1.00 0.00 O ATOM 0 H SER A 880 -6.045 9.357 -7.338 1.00 0.00 H new ATOM 0 HA SER A 880 -8.693 8.858 -6.447 1.00 0.00 H new ATOM 0 HB2 SER A 880 -6.433 6.995 -7.277 1.00 0.00 H new ATOM 0 HB3 SER A 880 -8.107 6.518 -7.077 1.00 0.00 H new ATOM 0 HG SER A 880 -7.089 8.456 -8.937 1.00 0.00 H new ATOM 456 N PRO A 881 -8.489 7.383 -4.307 1.00 0.00 N ATOM 457 CA PRO A 881 -8.429 6.915 -2.931 1.00 0.00 C ATOM 458 C PRO A 881 -7.391 5.814 -2.753 1.00 0.00 C ATOM 459 O PRO A 881 -7.285 4.874 -3.575 1.00 0.00 O ATOM 460 CB PRO A 881 -9.837 6.377 -2.653 1.00 0.00 C ATOM 461 CG PRO A 881 -10.686 6.899 -3.758 1.00 0.00 C ATOM 462 CD PRO A 881 -9.777 7.054 -4.932 1.00 0.00 C ATOM 0 HA PRO A 881 -8.134 7.710 -2.246 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -9.844 5.287 -2.634 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -10.202 6.716 -1.683 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -11.501 6.211 -3.983 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -11.139 7.852 -3.486 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -9.718 6.139 -5.521 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -10.114 7.844 -5.603 1.00 0.00 H new ATOM 470 N MET A 882 -6.603 5.946 -1.726 1.00 0.00 N ATOM 471 CA MET A 882 -5.585 4.983 -1.438 1.00 0.00 C ATOM 472 C MET A 882 -5.864 4.383 -0.079 1.00 0.00 C ATOM 473 O MET A 882 -6.535 5.002 0.752 1.00 0.00 O ATOM 474 CB MET A 882 -4.178 5.625 -1.491 1.00 0.00 C ATOM 475 CG MET A 882 -3.878 6.340 -2.809 1.00 0.00 C ATOM 476 SD MET A 882 -2.195 6.991 -2.942 1.00 0.00 S ATOM 477 CE MET A 882 -1.239 5.484 -3.118 1.00 0.00 C ATOM 0 H MET A 882 -6.649 6.723 -1.067 1.00 0.00 H new ATOM 0 HA MET A 882 -5.600 4.197 -2.193 1.00 0.00 H new ATOM 0 HB2 MET A 882 -4.082 6.337 -0.671 1.00 0.00 H new ATOM 0 HB3 MET A 882 -3.428 4.850 -1.329 1.00 0.00 H new ATOM 0 HG2 MET A 882 -4.052 5.647 -3.632 1.00 0.00 H new ATOM 0 HG3 MET A 882 -4.583 7.162 -2.930 1.00 0.00 H new ATOM 0 HE1 MET A 882 -0.490 5.434 -2.328 1.00 0.00 H new ATOM 0 HE2 MET A 882 -1.902 4.622 -3.044 1.00 0.00 H new ATOM 0 HE3 MET A 882 -0.744 5.479 -4.089 1.00 0.00 H new ATOM 487 N ILE A 883 -5.400 3.198 0.131 1.00 0.00 N ATOM 488 CA ILE A 883 -5.595 2.496 1.366 1.00 0.00 C ATOM 489 C ILE A 883 -4.231 2.082 1.927 1.00 0.00 C ATOM 490 O ILE A 883 -3.296 1.830 1.153 1.00 0.00 O ATOM 491 CB ILE A 883 -6.527 1.249 1.163 1.00 0.00 C ATOM 492 CG1 ILE A 883 -6.746 0.513 2.502 1.00 0.00 C ATOM 493 CG2 ILE A 883 -5.994 0.311 0.058 1.00 0.00 C ATOM 494 CD1 ILE A 883 -7.766 -0.596 2.455 1.00 0.00 C ATOM 0 H ILE A 883 -4.863 2.675 -0.561 1.00 0.00 H new ATOM 0 HA ILE A 883 -6.090 3.154 2.080 1.00 0.00 H new ATOM 0 HB ILE A 883 -7.499 1.603 0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 883 -5.794 0.098 2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 883 -7.055 1.240 3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 883 -6.666 -0.540 -0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 883 -5.939 0.855 -0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 883 -5.000 -0.045 0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 883 -7.851 -1.054 3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 883 -8.733 -0.189 2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 883 -7.452 -1.348 1.731 1.00 0.00 H new ATOM 506 N GLY A 884 -4.098 2.088 3.236 1.00 0.00 N ATOM 507 CA GLY A 884 -2.861 1.685 3.856 1.00 0.00 C ATOM 508 C GLY A 884 -2.970 0.291 4.426 1.00 0.00 C ATOM 509 O GLY A 884 -4.083 -0.172 4.749 1.00 0.00 O ATOM 0 H GLY A 884 -4.831 2.367 3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 884 -2.055 1.720 3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 884 -2.602 2.387 4.649 1.00 0.00 H new ATOM 513 N CYS A 885 -1.844 -0.379 4.555 1.00 0.00 N ATOM 514 CA CYS A 885 -1.815 -1.725 5.065 1.00 0.00 C ATOM 515 C CYS A 885 -1.905 -1.728 6.593 1.00 0.00 C ATOM 516 O CYS A 885 -1.905 -0.673 7.250 1.00 0.00 O ATOM 517 CB CYS A 885 -0.525 -2.445 4.591 1.00 0.00 C ATOM 518 SG CYS A 885 -0.366 -4.208 5.073 1.00 0.00 S ATOM 0 H CYS A 885 -0.928 -0.003 4.309 1.00 0.00 H new ATOM 0 HA CYS A 885 -2.679 -2.264 4.676 1.00 0.00 H new ATOM 0 HB2 CYS A 885 -0.475 -2.380 3.504 1.00 0.00 H new ATOM 0 HB3 CYS A 885 0.335 -1.903 4.983 1.00 0.00 H new ATOM 0 HG CYS A 885 0.842 -4.619 4.824 1.00 0.00 H new ATOM 523 N ASP A 886 -1.986 -2.900 7.143 1.00 0.00 N ATOM 524 CA ASP A 886 -2.039 -3.077 8.571 1.00 0.00 C ATOM 525 C ASP A 886 -0.642 -3.439 9.058 1.00 0.00 C ATOM 526 O ASP A 886 -0.271 -3.169 10.200 1.00 0.00 O ATOM 527 CB ASP A 886 -3.056 -4.175 8.948 1.00 0.00 C ATOM 528 CG ASP A 886 -3.339 -4.243 10.438 1.00 0.00 C ATOM 529 OD1 ASP A 886 -4.187 -3.464 10.933 1.00 0.00 O ATOM 530 OD2 ASP A 886 -2.738 -5.068 11.147 1.00 0.00 O ATOM 0 H ASP A 886 -2.018 -3.771 6.614 1.00 0.00 H new ATOM 0 HA ASP A 886 -2.369 -2.154 9.049 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -3.990 -3.994 8.415 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -2.679 -5.141 8.612 1.00 0.00 H new ATOM 535 N ASP A 887 0.155 -4.000 8.160 1.00 0.00 N ATOM 536 CA ASP A 887 1.531 -4.409 8.478 1.00 0.00 C ATOM 537 C ASP A 887 2.493 -3.267 8.156 1.00 0.00 C ATOM 538 O ASP A 887 3.438 -2.977 8.914 1.00 0.00 O ATOM 539 CB ASP A 887 1.912 -5.676 7.680 1.00 0.00 C ATOM 540 CG ASP A 887 3.331 -6.201 7.941 1.00 0.00 C ATOM 541 OD1 ASP A 887 4.299 -5.664 7.387 1.00 0.00 O ATOM 542 OD2 ASP A 887 3.490 -7.222 8.656 1.00 0.00 O ATOM 0 H ASP A 887 -0.123 -4.187 7.197 1.00 0.00 H new ATOM 0 HA ASP A 887 1.598 -4.641 9.541 1.00 0.00 H new ATOM 0 HB2 ASP A 887 1.199 -6.465 7.917 1.00 0.00 H new ATOM 0 HB3 ASP A 887 1.809 -5.462 6.616 1.00 0.00 H new ATOM 547 N CYS A 888 2.237 -2.580 7.063 1.00 0.00 N ATOM 548 CA CYS A 888 3.079 -1.491 6.669 1.00 0.00 C ATOM 549 C CYS A 888 2.322 -0.173 6.589 1.00 0.00 C ATOM 550 O CYS A 888 1.103 -0.130 6.729 1.00 0.00 O ATOM 551 CB CYS A 888 3.839 -1.822 5.370 1.00 0.00 C ATOM 552 SG CYS A 888 2.835 -2.528 4.036 1.00 0.00 S ATOM 0 H CYS A 888 1.452 -2.762 6.438 1.00 0.00 H new ATOM 0 HA CYS A 888 3.826 -1.353 7.451 1.00 0.00 H new ATOM 0 HB2 CYS A 888 4.310 -0.910 5.003 1.00 0.00 H new ATOM 0 HB3 CYS A 888 4.641 -2.522 5.607 1.00 0.00 H new ATOM 0 HG CYS A 888 2.798 -3.822 4.159 1.00 0.00 H new ATOM 557 N ASP A 889 3.057 0.882 6.387 1.00 0.00 N ATOM 558 CA ASP A 889 2.504 2.231 6.312 1.00 0.00 C ATOM 559 C ASP A 889 2.463 2.692 4.872 1.00 0.00 C ATOM 560 O ASP A 889 2.209 3.863 4.584 1.00 0.00 O ATOM 561 CB ASP A 889 3.351 3.221 7.149 1.00 0.00 C ATOM 562 CG ASP A 889 4.789 3.386 6.656 1.00 0.00 C ATOM 563 OD1 ASP A 889 5.629 2.495 6.927 1.00 0.00 O ATOM 564 OD2 ASP A 889 5.119 4.431 6.030 1.00 0.00 O ATOM 0 H ASP A 889 4.069 0.845 6.267 1.00 0.00 H new ATOM 0 HA ASP A 889 1.492 2.208 6.717 1.00 0.00 H new ATOM 0 HB2 ASP A 889 2.862 4.195 7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 889 3.370 2.880 8.184 1.00 0.00 H new ATOM 569 N ASP A 890 2.693 1.761 3.972 1.00 0.00 N ATOM 570 CA ASP A 890 2.743 2.057 2.550 1.00 0.00 C ATOM 571 C ASP A 890 1.319 2.149 2.005 1.00 0.00 C ATOM 572 O ASP A 890 0.406 1.492 2.531 1.00 0.00 O ATOM 573 CB ASP A 890 3.576 0.988 1.821 1.00 0.00 C ATOM 574 CG ASP A 890 3.915 1.351 0.385 1.00 0.00 C ATOM 575 OD1 ASP A 890 4.043 2.567 0.079 1.00 0.00 O ATOM 576 OD2 ASP A 890 4.107 0.425 -0.440 1.00 0.00 O ATOM 0 H ASP A 890 2.851 0.779 4.200 1.00 0.00 H new ATOM 0 HA ASP A 890 3.230 3.017 2.381 1.00 0.00 H new ATOM 0 HB2 ASP A 890 4.501 0.823 2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 890 3.028 0.046 1.828 1.00 0.00 H new ATOM 581 N TRP A 891 1.123 2.957 0.990 1.00 0.00 N ATOM 582 CA TRP A 891 -0.212 3.226 0.477 1.00 0.00 C ATOM 583 C TRP A 891 -0.421 2.623 -0.893 1.00 0.00 C ATOM 584 O TRP A 891 0.421 2.762 -1.780 1.00 0.00 O ATOM 585 CB TRP A 891 -0.509 4.735 0.432 1.00 0.00 C ATOM 586 CG TRP A 891 -0.679 5.387 1.775 1.00 0.00 C ATOM 587 CD1 TRP A 891 0.299 5.840 2.603 1.00 0.00 C ATOM 588 CD2 TRP A 891 -1.920 5.678 2.430 1.00 0.00 C ATOM 589 NE1 TRP A 891 -0.256 6.389 3.735 1.00 0.00 N ATOM 590 CE2 TRP A 891 -1.616 6.299 3.651 1.00 0.00 C ATOM 591 CE3 TRP A 891 -3.257 5.470 2.100 1.00 0.00 C ATOM 592 CZ2 TRP A 891 -2.603 6.715 4.540 1.00 0.00 C ATOM 593 CZ3 TRP A 891 -4.237 5.882 2.982 1.00 0.00 C ATOM 594 CH2 TRP A 891 -3.904 6.497 4.188 1.00 0.00 C ATOM 0 H TRP A 891 1.871 3.445 0.497 1.00 0.00 H new ATOM 0 HA TRP A 891 -0.909 2.754 1.170 1.00 0.00 H new ATOM 0 HB2 TRP A 891 0.302 5.234 -0.098 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -1.416 4.895 -0.151 1.00 0.00 H new ATOM 0 HD1 TRP A 891 1.358 5.778 2.401 1.00 0.00 H new ATOM 0 HE1 TRP A 891 0.264 6.797 4.512 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -3.524 4.994 1.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -2.349 7.193 5.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -5.276 5.725 2.734 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -4.692 6.808 4.858 1.00 0.00 H new ATOM 605 N TYR A 892 -1.555 1.981 -1.065 1.00 0.00 N ATOM 606 CA TYR A 892 -1.911 1.330 -2.314 1.00 0.00 C ATOM 607 C TYR A 892 -3.230 1.887 -2.796 1.00 0.00 C ATOM 608 O TYR A 892 -4.058 2.276 -1.992 1.00 0.00 O ATOM 609 CB TYR A 892 -1.998 -0.194 -2.099 1.00 0.00 C ATOM 610 CG TYR A 892 -0.691 -0.764 -1.608 1.00 0.00 C ATOM 611 CD1 TYR A 892 0.296 -1.126 -2.501 1.00 0.00 C ATOM 612 CD2 TYR A 892 -0.418 -0.871 -0.247 1.00 0.00 C ATOM 613 CE1 TYR A 892 1.510 -1.589 -2.062 1.00 0.00 C ATOM 614 CE2 TYR A 892 0.806 -1.312 0.197 1.00 0.00 C ATOM 615 CZ TYR A 892 1.762 -1.676 -0.715 1.00 0.00 C ATOM 616 OH TYR A 892 2.998 -2.057 -0.286 1.00 0.00 O ATOM 0 H TYR A 892 -2.265 1.893 -0.338 1.00 0.00 H new ATOM 0 HA TYR A 892 -1.150 1.521 -3.070 1.00 0.00 H new ATOM 0 HB2 TYR A 892 -2.785 -0.415 -1.378 1.00 0.00 H new ATOM 0 HB3 TYR A 892 -2.277 -0.678 -3.035 1.00 0.00 H new ATOM 0 HD1 TYR A 892 0.110 -1.044 -3.562 1.00 0.00 H new ATOM 0 HD2 TYR A 892 -1.179 -0.604 0.471 1.00 0.00 H new ATOM 0 HE1 TYR A 892 2.266 -1.885 -2.774 1.00 0.00 H new ATOM 0 HE2 TYR A 892 1.012 -1.371 1.255 1.00 0.00 H new ATOM 0 HH TYR A 892 3.592 -1.278 -0.265 1.00 0.00 H new ATOM 626 N HIS A 893 -3.422 1.960 -4.085 1.00 0.00 N ATOM 627 CA HIS A 893 -4.670 2.520 -4.629 1.00 0.00 C ATOM 628 C HIS A 893 -5.817 1.533 -4.513 1.00 0.00 C ATOM 629 O HIS A 893 -5.623 0.324 -4.657 1.00 0.00 O ATOM 630 CB HIS A 893 -4.545 2.917 -6.106 1.00 0.00 C ATOM 631 CG HIS A 893 -3.631 4.049 -6.421 1.00 0.00 C ATOM 632 ND1 HIS A 893 -2.423 3.834 -7.035 1.00 0.00 N ATOM 633 CD2 HIS A 893 -3.828 5.377 -6.274 1.00 0.00 C ATOM 634 CE1 HIS A 893 -1.912 5.054 -7.250 1.00 0.00 C ATOM 635 NE2 HIS A 893 -2.732 6.005 -6.807 1.00 0.00 N ATOM 0 H HIS A 893 -2.751 1.648 -4.787 1.00 0.00 H new ATOM 0 HA HIS A 893 -4.870 3.411 -4.033 1.00 0.00 H new ATOM 0 HB2 HIS A 893 -4.210 2.044 -6.665 1.00 0.00 H new ATOM 0 HB3 HIS A 893 -5.539 3.170 -6.475 1.00 0.00 H new ATOM 0 HD1 HIS A 893 -2.003 2.936 -7.276 1.00 0.00 H new ATOM 0 HD2 HIS A 893 -4.686 5.854 -5.823 1.00 0.00 H new ATOM 0 HE1 HIS A 893 -0.959 5.242 -7.721 1.00 0.00 H new ATOM 643 N TRP A 894 -7.008 2.056 -4.270 1.00 0.00 N ATOM 644 CA TRP A 894 -8.235 1.250 -4.238 1.00 0.00 C ATOM 645 C TRP A 894 -8.441 0.429 -5.534 1.00 0.00 C ATOM 646 O TRP A 894 -8.614 -0.787 -5.456 1.00 0.00 O ATOM 647 CB TRP A 894 -9.480 2.106 -3.938 1.00 0.00 C ATOM 648 CG TRP A 894 -9.636 2.517 -2.510 1.00 0.00 C ATOM 649 CD1 TRP A 894 -8.710 2.435 -1.514 1.00 0.00 C ATOM 650 CD2 TRP A 894 -10.810 3.073 -1.917 1.00 0.00 C ATOM 651 NE1 TRP A 894 -9.244 2.899 -0.338 1.00 0.00 N ATOM 652 CE2 TRP A 894 -10.529 3.302 -0.560 1.00 0.00 C ATOM 653 CE3 TRP A 894 -12.075 3.401 -2.407 1.00 0.00 C ATOM 654 CZ2 TRP A 894 -11.467 3.842 0.310 1.00 0.00 C ATOM 655 CZ3 TRP A 894 -13.004 3.937 -1.546 1.00 0.00 C ATOM 656 CH2 TRP A 894 -12.693 4.154 -0.201 1.00 0.00 C ATOM 0 H TRP A 894 -7.160 3.048 -4.089 1.00 0.00 H new ATOM 0 HA TRP A 894 -8.105 0.542 -3.419 1.00 0.00 H new ATOM 0 HB2 TRP A 894 -9.443 3.003 -4.556 1.00 0.00 H new ATOM 0 HB3 TRP A 894 -10.367 1.548 -4.239 1.00 0.00 H new ATOM 0 HD1 TRP A 894 -7.704 2.060 -1.632 1.00 0.00 H new ATOM 0 HE1 TRP A 894 -8.758 2.937 0.558 1.00 0.00 H new ATOM 0 HE3 TRP A 894 -12.320 3.237 -3.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 -11.235 4.009 1.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 -13.986 4.193 -1.914 1.00 0.00 H new ATOM 0 HH2 TRP A 894 -13.442 4.579 0.450 1.00 0.00 H new ATOM 667 N PRO A 895 -8.385 1.053 -6.757 1.00 0.00 N ATOM 668 CA PRO A 895 -8.552 0.321 -8.032 1.00 0.00 C ATOM 669 C PRO A 895 -7.450 -0.723 -8.279 1.00 0.00 C ATOM 670 O PRO A 895 -7.579 -1.580 -9.152 1.00 0.00 O ATOM 671 CB PRO A 895 -8.473 1.426 -9.098 1.00 0.00 C ATOM 672 CG PRO A 895 -7.751 2.536 -8.430 1.00 0.00 C ATOM 673 CD PRO A 895 -8.216 2.504 -7.014 1.00 0.00 C ATOM 0 HA PRO A 895 -9.484 -0.245 -8.040 1.00 0.00 H new ATOM 0 HB2 PRO A 895 -7.941 1.084 -9.986 1.00 0.00 H new ATOM 0 HB3 PRO A 895 -9.466 1.737 -9.422 1.00 0.00 H new ATOM 0 HG2 PRO A 895 -6.672 2.399 -8.494 1.00 0.00 H new ATOM 0 HG3 PRO A 895 -7.979 3.493 -8.899 1.00 0.00 H new ATOM 0 HD2 PRO A 895 -7.487 2.952 -6.339 1.00 0.00 H new ATOM 0 HD3 PRO A 895 -9.150 3.050 -6.883 1.00 0.00 H new ATOM 681 N CYS A 896 -6.385 -0.669 -7.496 1.00 0.00 N ATOM 682 CA CYS A 896 -5.298 -1.592 -7.666 1.00 0.00 C ATOM 683 C CYS A 896 -5.562 -2.874 -6.920 1.00 0.00 C ATOM 684 O CYS A 896 -5.129 -3.948 -7.328 1.00 0.00 O ATOM 685 CB CYS A 896 -4.006 -0.946 -7.196 1.00 0.00 C ATOM 686 SG CYS A 896 -3.568 0.539 -8.146 1.00 0.00 S ATOM 0 H CYS A 896 -6.259 0.006 -6.741 1.00 0.00 H new ATOM 0 HA CYS A 896 -5.205 -1.841 -8.723 1.00 0.00 H new ATOM 0 HB2 CYS A 896 -4.101 -0.682 -6.143 1.00 0.00 H new ATOM 0 HB3 CYS A 896 -3.195 -1.671 -7.271 1.00 0.00 H new ATOM 0 HG CYS A 896 -4.644 1.219 -8.410 1.00 0.00 H new ATOM 691 N VAL A 897 -6.287 -2.763 -5.851 1.00 0.00 N ATOM 692 CA VAL A 897 -6.567 -3.897 -5.016 1.00 0.00 C ATOM 693 C VAL A 897 -8.015 -4.343 -5.150 1.00 0.00 C ATOM 694 O VAL A 897 -8.418 -5.355 -4.603 1.00 0.00 O ATOM 695 CB VAL A 897 -6.180 -3.623 -3.542 1.00 0.00 C ATOM 696 CG1 VAL A 897 -4.659 -3.540 -3.424 1.00 0.00 C ATOM 697 CG2 VAL A 897 -6.794 -2.315 -3.073 1.00 0.00 C ATOM 0 H VAL A 897 -6.702 -1.888 -5.530 1.00 0.00 H new ATOM 0 HA VAL A 897 -5.945 -4.723 -5.362 1.00 0.00 H new ATOM 0 HB VAL A 897 -6.556 -4.435 -2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 897 -4.385 -3.347 -2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 897 -4.217 -4.483 -3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 897 -4.289 -2.731 -4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 897 -6.515 -2.133 -2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 897 -6.429 -1.498 -3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 897 -7.880 -2.374 -3.152 1.00 0.00 H new ATOM 707 N GLY A 898 -8.780 -3.589 -5.907 1.00 0.00 N ATOM 708 CA GLY A 898 -10.154 -3.947 -6.162 1.00 0.00 C ATOM 709 C GLY A 898 -11.089 -3.443 -5.097 1.00 0.00 C ATOM 710 O GLY A 898 -12.089 -4.084 -4.771 1.00 0.00 O ATOM 0 H GLY A 898 -8.473 -2.726 -6.355 1.00 0.00 H new ATOM 0 HA2 GLY A 898 -10.458 -3.543 -7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 898 -10.237 -5.032 -6.230 1.00 0.00 H new ATOM 714 N ILE A 899 -10.765 -2.314 -4.537 1.00 0.00 N ATOM 715 CA ILE A 899 -11.599 -1.725 -3.539 1.00 0.00 C ATOM 716 C ILE A 899 -12.467 -0.665 -4.157 1.00 0.00 C ATOM 717 O ILE A 899 -11.981 0.261 -4.816 1.00 0.00 O ATOM 718 CB ILE A 899 -10.793 -1.189 -2.333 1.00 0.00 C ATOM 719 CG1 ILE A 899 -10.200 -2.370 -1.565 1.00 0.00 C ATOM 720 CG2 ILE A 899 -11.653 -0.323 -1.411 1.00 0.00 C ATOM 721 CD1 ILE A 899 -9.416 -1.968 -0.356 1.00 0.00 C ATOM 0 H ILE A 899 -9.923 -1.783 -4.759 1.00 0.00 H new ATOM 0 HA ILE A 899 -12.244 -2.506 -3.136 1.00 0.00 H new ATOM 0 HB ILE A 899 -9.992 -0.552 -2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 899 -11.007 -3.035 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 899 -9.554 -2.939 -2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 899 -11.048 0.033 -0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 899 -12.039 0.530 -1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 899 -12.486 -0.914 -1.029 1.00 0.00 H new ATOM 0 HD11 ILE A 899 -9.026 -2.858 0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 899 -8.587 -1.327 -0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 899 -10.063 -1.425 0.333 1.00 0.00 H new ATOM 733 N MET A 900 -13.744 -0.831 -3.974 1.00 0.00 N ATOM 734 CA MET A 900 -14.723 0.054 -4.556 1.00 0.00 C ATOM 735 C MET A 900 -15.338 0.961 -3.499 1.00 0.00 C ATOM 736 O MET A 900 -15.860 2.028 -3.814 1.00 0.00 O ATOM 737 CB MET A 900 -15.809 -0.764 -5.279 1.00 0.00 C ATOM 738 CG MET A 900 -16.629 -1.678 -4.375 1.00 0.00 C ATOM 739 SD MET A 900 -17.765 -2.733 -5.298 1.00 0.00 S ATOM 740 CE MET A 900 -18.583 -3.600 -3.961 1.00 0.00 C ATOM 0 H MET A 900 -14.142 -1.586 -3.415 1.00 0.00 H new ATOM 0 HA MET A 900 -14.223 0.691 -5.285 1.00 0.00 H new ATOM 0 HB2 MET A 900 -16.485 -0.076 -5.786 1.00 0.00 H new ATOM 0 HB3 MET A 900 -15.334 -1.370 -6.050 1.00 0.00 H new ATOM 0 HG2 MET A 900 -15.955 -2.302 -3.789 1.00 0.00 H new ATOM 0 HG3 MET A 900 -17.196 -1.071 -3.669 1.00 0.00 H new ATOM 0 HE1 MET A 900 -19.318 -4.292 -4.372 1.00 0.00 H new ATOM 0 HE2 MET A 900 -17.845 -4.155 -3.382 1.00 0.00 H new ATOM 0 HE3 MET A 900 -19.085 -2.880 -3.314 1.00 0.00 H new ATOM 750 N ALA A 901 -15.226 0.566 -2.252 1.00 0.00 N ATOM 751 CA ALA A 901 -15.816 1.294 -1.161 1.00 0.00 C ATOM 752 C ALA A 901 -14.985 1.033 0.045 1.00 0.00 C ATOM 753 O ALA A 901 -14.364 -0.020 0.111 1.00 0.00 O ATOM 754 CB ALA A 901 -17.251 0.837 -0.925 1.00 0.00 C ATOM 0 H ALA A 901 -14.720 -0.273 -1.968 1.00 0.00 H new ATOM 0 HA ALA A 901 -15.846 2.360 -1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 901 -17.680 1.399 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 901 -17.841 1.011 -1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 901 -17.259 -0.226 -0.685 1.00 0.00 H new ATOM 760 N ALA A 902 -14.941 1.992 0.958 1.00 0.00 N ATOM 761 CA ALA A 902 -14.154 1.902 2.179 1.00 0.00 C ATOM 762 C ALA A 902 -14.483 0.633 2.961 1.00 0.00 C ATOM 763 O ALA A 902 -15.596 0.484 3.467 1.00 0.00 O ATOM 764 CB ALA A 902 -14.385 3.134 3.046 1.00 0.00 C ATOM 0 H ALA A 902 -15.458 2.867 0.870 1.00 0.00 H new ATOM 0 HA ALA A 902 -13.102 1.857 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -13.791 3.055 3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -14.089 4.027 2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -15.441 3.203 3.307 1.00 0.00 H new ATOM 770 N PRO A 903 -13.534 -0.312 3.032 1.00 0.00 N ATOM 771 CA PRO A 903 -13.725 -1.562 3.762 1.00 0.00 C ATOM 772 C PRO A 903 -13.768 -1.310 5.268 1.00 0.00 C ATOM 773 O PRO A 903 -13.149 -0.342 5.757 1.00 0.00 O ATOM 774 CB PRO A 903 -12.490 -2.392 3.394 1.00 0.00 C ATOM 775 CG PRO A 903 -11.461 -1.394 3.002 1.00 0.00 C ATOM 776 CD PRO A 903 -12.211 -0.246 2.387 1.00 0.00 C ATOM 0 HA PRO A 903 -14.662 -2.057 3.508 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -12.154 -2.995 4.237 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -12.705 -3.079 2.576 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -10.886 -1.065 3.868 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -10.752 -1.822 2.293 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -11.717 0.706 2.582 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -12.287 -0.350 1.305 1.00 0.00 H new ATOM 845 N GLN A 908 -9.092 -6.642 9.212 1.00 0.00 N ATOM 846 CA GLN A 908 -7.727 -6.449 8.800 1.00 0.00 C ATOM 847 C GLN A 908 -7.628 -6.542 7.297 1.00 0.00 C ATOM 848 O GLN A 908 -8.401 -7.266 6.643 1.00 0.00 O ATOM 849 CB GLN A 908 -6.793 -7.461 9.451 1.00 0.00 C ATOM 850 CG GLN A 908 -6.660 -7.305 10.954 1.00 0.00 C ATOM 851 CD GLN A 908 -5.830 -8.399 11.590 1.00 0.00 C ATOM 852 OE1 GLN A 908 -5.798 -9.539 11.108 1.00 0.00 O ATOM 853 NE2 GLN A 908 -5.153 -8.074 12.654 1.00 0.00 N ATOM 0 HA GLN A 908 -7.416 -5.457 9.126 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -7.154 -8.466 9.232 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -5.805 -7.371 8.999 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -6.208 -6.338 11.175 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -7.653 -7.302 11.403 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -5.205 -7.124 13.021 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -4.571 -8.770 13.120 1.00 0.00 H new ATOM 862 N TRP A 909 -6.706 -5.823 6.760 1.00 0.00 N ATOM 863 CA TRP A 909 -6.483 -5.777 5.358 1.00 0.00 C ATOM 864 C TRP A 909 -4.998 -5.765 5.139 1.00 0.00 C ATOM 865 O TRP A 909 -4.280 -5.015 5.808 1.00 0.00 O ATOM 866 CB TRP A 909 -7.127 -4.508 4.778 1.00 0.00 C ATOM 867 CG TRP A 909 -6.991 -4.369 3.293 1.00 0.00 C ATOM 868 CD1 TRP A 909 -7.865 -4.815 2.351 1.00 0.00 C ATOM 869 CD2 TRP A 909 -5.918 -3.738 2.583 1.00 0.00 C ATOM 870 NE1 TRP A 909 -7.403 -4.502 1.099 1.00 0.00 N ATOM 871 CE2 TRP A 909 -6.208 -3.840 1.219 1.00 0.00 C ATOM 872 CE3 TRP A 909 -4.742 -3.097 2.976 1.00 0.00 C ATOM 873 CZ2 TRP A 909 -5.368 -3.323 0.246 1.00 0.00 C ATOM 874 CZ3 TRP A 909 -3.905 -2.586 2.008 1.00 0.00 C ATOM 875 CH2 TRP A 909 -4.222 -2.700 0.657 1.00 0.00 C ATOM 0 H TRP A 909 -6.069 -5.235 7.298 1.00 0.00 H new ATOM 0 HA TRP A 909 -6.927 -6.639 4.859 1.00 0.00 H new ATOM 0 HB2 TRP A 909 -8.186 -4.502 5.036 1.00 0.00 H new ATOM 0 HB3 TRP A 909 -6.678 -3.637 5.255 1.00 0.00 H new ATOM 0 HD1 TRP A 909 -8.787 -5.338 2.559 1.00 0.00 H new ATOM 0 HE1 TRP A 909 -7.872 -4.725 0.221 1.00 0.00 H new ATOM 0 HE3 TRP A 909 -4.492 -3.003 4.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 -5.610 -3.409 -0.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 -2.991 -2.091 2.301 1.00 0.00 H new ATOM 0 HH2 TRP A 909 -3.550 -2.288 -0.081 1.00 0.00 H new ATOM 886 N PHE A 910 -4.532 -6.602 4.259 1.00 0.00 N ATOM 887 CA PHE A 910 -3.134 -6.660 3.946 1.00 0.00 C ATOM 888 C PHE A 910 -2.956 -6.485 2.471 1.00 0.00 C ATOM 889 O PHE A 910 -3.762 -6.997 1.675 1.00 0.00 O ATOM 890 CB PHE A 910 -2.505 -7.978 4.411 1.00 0.00 C ATOM 891 CG PHE A 910 -2.630 -8.206 5.888 1.00 0.00 C ATOM 892 CD1 PHE A 910 -1.775 -7.573 6.774 1.00 0.00 C ATOM 893 CD2 PHE A 910 -3.618 -9.031 6.387 1.00 0.00 C ATOM 894 CE1 PHE A 910 -1.904 -7.764 8.134 1.00 0.00 C ATOM 895 CE2 PHE A 910 -3.757 -9.227 7.746 1.00 0.00 C ATOM 896 CZ PHE A 910 -2.897 -8.593 8.623 1.00 0.00 C ATOM 0 H PHE A 910 -5.109 -7.263 3.739 1.00 0.00 H new ATOM 0 HA PHE A 910 -2.624 -5.856 4.477 1.00 0.00 H new ATOM 0 HB2 PHE A 910 -2.978 -8.805 3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 910 -1.450 -7.986 4.137 1.00 0.00 H new ATOM 0 HD1 PHE A 910 -0.999 -6.923 6.397 1.00 0.00 H new ATOM 0 HD2 PHE A 910 -4.291 -9.530 5.705 1.00 0.00 H new ATOM 0 HE1 PHE A 910 -1.230 -7.267 8.816 1.00 0.00 H new ATOM 0 HE2 PHE A 910 -4.535 -9.874 8.123 1.00 0.00 H new ATOM 0 HZ PHE A 910 -3.000 -8.745 9.687 1.00 0.00 H new ATOM 906 N CYS A 911 -1.944 -5.759 2.108 1.00 0.00 N ATOM 907 CA CYS A 911 -1.650 -5.479 0.743 1.00 0.00 C ATOM 908 C CYS A 911 -1.127 -6.734 0.038 1.00 0.00 C ATOM 909 O CYS A 911 -0.727 -7.712 0.700 1.00 0.00 O ATOM 910 CB CYS A 911 -0.586 -4.392 0.716 1.00 0.00 C ATOM 911 SG CYS A 911 0.916 -4.826 1.617 1.00 0.00 S ATOM 0 H CYS A 911 -1.289 -5.338 2.767 1.00 0.00 H new ATOM 0 HA CYS A 911 -2.551 -5.153 0.224 1.00 0.00 H new ATOM 0 HB2 CYS A 911 -0.328 -4.174 -0.320 1.00 0.00 H new ATOM 0 HB3 CYS A 911 -1.002 -3.478 1.140 1.00 0.00 H new ATOM 0 HG CYS A 911 0.713 -4.684 2.893 1.00 0.00 H new ATOM 916 N PRO A 912 -1.103 -6.733 -1.307 1.00 0.00 N ATOM 917 CA PRO A 912 -0.521 -7.825 -2.094 1.00 0.00 C ATOM 918 C PRO A 912 0.985 -8.046 -1.790 1.00 0.00 C ATOM 919 O PRO A 912 1.585 -9.035 -2.231 1.00 0.00 O ATOM 920 CB PRO A 912 -0.721 -7.369 -3.553 1.00 0.00 C ATOM 921 CG PRO A 912 -1.010 -5.908 -3.467 1.00 0.00 C ATOM 922 CD PRO A 912 -1.719 -5.715 -2.175 1.00 0.00 C ATOM 0 HA PRO A 912 -0.993 -8.781 -1.866 1.00 0.00 H new ATOM 0 HB2 PRO A 912 0.170 -7.560 -4.151 1.00 0.00 H new ATOM 0 HB3 PRO A 912 -1.543 -7.907 -4.025 1.00 0.00 H new ATOM 0 HG2 PRO A 912 -0.090 -5.324 -3.500 1.00 0.00 H new ATOM 0 HG3 PRO A 912 -1.626 -5.580 -4.305 1.00 0.00 H new ATOM 0 HD2 PRO A 912 -1.576 -4.709 -1.782 1.00 0.00 H new ATOM 0 HD3 PRO A 912 -2.793 -5.867 -2.277 1.00 0.00 H new ATOM 930 N LYS A 913 1.588 -7.124 -1.045 1.00 0.00 N ATOM 931 CA LYS A 913 2.976 -7.243 -0.656 1.00 0.00 C ATOM 932 C LYS A 913 3.096 -8.043 0.631 1.00 0.00 C ATOM 933 O LYS A 913 3.904 -8.970 0.717 1.00 0.00 O ATOM 934 CB LYS A 913 3.651 -5.863 -0.545 1.00 0.00 C ATOM 935 CG LYS A 913 3.693 -5.106 -1.869 1.00 0.00 C ATOM 936 CD LYS A 913 4.509 -5.868 -2.906 1.00 0.00 C ATOM 937 CE LYS A 913 4.376 -5.272 -4.294 1.00 0.00 C ATOM 938 NZ LYS A 913 5.071 -6.100 -5.306 1.00 0.00 N ATOM 0 H LYS A 913 1.126 -6.282 -0.700 1.00 0.00 H new ATOM 0 HA LYS A 913 3.508 -7.786 -1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 913 3.118 -5.263 0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 913 4.668 -5.992 -0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 913 2.679 -4.955 -2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 913 4.126 -4.118 -1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 913 5.558 -5.867 -2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 913 4.185 -6.908 -2.927 1.00 0.00 H new ATOM 0 HE2 LYS A 913 3.321 -5.185 -4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 913 4.790 -4.264 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 4.961 -5.666 -6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 6.082 -6.162 -5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 4.659 -7.055 -5.316 1.00 0.00 H new ATOM 952 N CYS A 914 2.273 -7.729 1.610 1.00 0.00 N ATOM 953 CA CYS A 914 2.281 -8.484 2.842 1.00 0.00 C ATOM 954 C CYS A 914 1.588 -9.826 2.697 1.00 0.00 C ATOM 955 O CYS A 914 1.935 -10.780 3.383 1.00 0.00 O ATOM 956 CB CYS A 914 1.736 -7.671 4.000 1.00 0.00 C ATOM 957 SG CYS A 914 2.794 -6.275 4.424 1.00 0.00 S ATOM 0 H CYS A 914 1.598 -6.965 1.577 1.00 0.00 H new ATOM 0 HA CYS A 914 3.322 -8.705 3.076 1.00 0.00 H new ATOM 0 HB2 CYS A 914 0.741 -7.305 3.746 1.00 0.00 H new ATOM 0 HB3 CYS A 914 1.625 -8.316 4.872 1.00 0.00 H new ATOM 0 HG CYS A 914 3.076 -5.602 3.348 1.00 0.00 H new ATOM 962 N ALA A 915 0.641 -9.912 1.788 1.00 0.00 N ATOM 963 CA ALA A 915 0.004 -11.181 1.502 1.00 0.00 C ATOM 964 C ALA A 915 1.004 -12.117 0.818 1.00 0.00 C ATOM 965 O ALA A 915 0.912 -13.333 0.919 1.00 0.00 O ATOM 966 CB ALA A 915 -1.234 -10.987 0.656 1.00 0.00 C ATOM 0 H ALA A 915 0.296 -9.125 1.238 1.00 0.00 H new ATOM 0 HA ALA A 915 -0.314 -11.637 2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 915 -1.693 -11.955 0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 915 -1.943 -10.352 1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 915 -0.960 -10.513 -0.287 1.00 0.00 H new ATOM 972 N ASN A 916 1.999 -11.527 0.167 1.00 0.00 N ATOM 973 CA ASN A 916 3.065 -12.289 -0.465 1.00 0.00 C ATOM 974 C ASN A 916 3.920 -12.953 0.620 1.00 0.00 C ATOM 975 O ASN A 916 4.314 -14.108 0.489 1.00 0.00 O ATOM 976 CB ASN A 916 3.924 -11.382 -1.368 1.00 0.00 C ATOM 977 CG ASN A 916 5.047 -12.110 -2.116 1.00 0.00 C ATOM 978 OD1 ASN A 916 4.824 -13.347 -2.504 1.00 0.00 O flip ATOM 979 ND2 ASN A 916 6.106 -11.533 -2.367 1.00 0.00 N flip ATOM 0 H ASN A 916 2.088 -10.516 0.064 1.00 0.00 H new ATOM 0 HA ASN A 916 2.630 -13.062 -1.098 1.00 0.00 H new ATOM 0 HB2 ASN A 916 3.275 -10.896 -2.096 1.00 0.00 H new ATOM 0 HB3 ASN A 916 4.363 -10.594 -0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 916 6.251 -10.573 -2.053 1.00 0.00 H new ATOM 0 HD22 ASN A 916 6.838 -12.015 -2.889 1.00 0.00 H new ATOM 986 N LYS A 917 4.126 -12.234 1.718 1.00 0.00 N ATOM 987 CA LYS A 917 4.893 -12.727 2.870 1.00 0.00 C ATOM 988 C LYS A 917 4.219 -13.972 3.448 1.00 0.00 C ATOM 989 O LYS A 917 4.884 -14.944 3.844 1.00 0.00 O ATOM 990 CB LYS A 917 4.956 -11.650 3.962 1.00 0.00 C ATOM 991 CG LYS A 917 5.583 -10.334 3.535 1.00 0.00 C ATOM 992 CD LYS A 917 5.389 -9.272 4.609 1.00 0.00 C ATOM 993 CE LYS A 917 5.944 -7.924 4.180 1.00 0.00 C ATOM 994 NZ LYS A 917 5.563 -6.856 5.127 1.00 0.00 N ATOM 0 H LYS A 917 3.766 -11.287 1.840 1.00 0.00 H new ATOM 0 HA LYS A 917 5.901 -12.971 2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 917 3.944 -11.454 4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 917 5.519 -12.045 4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 917 6.647 -10.477 3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 917 5.135 -9.999 2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 917 4.327 -9.173 4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 917 5.881 -9.591 5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 917 7.030 -7.981 4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 917 5.575 -7.678 3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 6.300 -6.122 5.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 4.659 -6.435 4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 5.461 -7.258 6.081 1.00 0.00 H new ATOM 1008 N ILE A 918 2.903 -13.935 3.457 1.00 0.00 N ATOM 1009 CA ILE A 918 2.066 -15.003 3.984 1.00 0.00 C ATOM 1010 C ILE A 918 2.247 -16.307 3.183 1.00 0.00 C ATOM 1011 O ILE A 918 2.241 -17.410 3.752 1.00 0.00 O ATOM 1012 CB ILE A 918 0.556 -14.581 3.936 1.00 0.00 C ATOM 1013 CG1 ILE A 918 0.308 -13.283 4.732 1.00 0.00 C ATOM 1014 CG2 ILE A 918 -0.367 -15.696 4.426 1.00 0.00 C ATOM 1015 CD1 ILE A 918 0.625 -13.371 6.211 1.00 0.00 C ATOM 0 H ILE A 918 2.370 -13.146 3.091 1.00 0.00 H new ATOM 0 HA ILE A 918 2.371 -15.180 5.015 1.00 0.00 H new ATOM 0 HB ILE A 918 0.317 -14.391 2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 918 0.908 -12.485 4.294 1.00 0.00 H new ATOM 0 HG13 ILE A 918 -0.737 -12.997 4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -1.403 -15.360 4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -0.240 -16.576 3.796 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -0.117 -15.948 5.457 1.00 0.00 H new ATOM 0 HD11 ILE A 918 0.419 -12.411 6.685 1.00 0.00 H new ATOM 0 HD12 ILE A 918 0.007 -14.142 6.670 1.00 0.00 H new ATOM 0 HD13 ILE A 918 1.677 -13.623 6.343 1.00 0.00 H new