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 885 CYS SG : rot -161:sc= 0.542 USER MOD Set 1.2: A 888 CYS SG : rot -89:sc=-0.00485 USER MOD Set 1.3: A 911 CYS SG : rot -70:sc= 0.926 USER MOD Set 1.4: A 914 CYS SG : rot 84:sc= 1.34 USER MOD Set 1.5: A 917 LYS NZ :NH3+ 172:sc= 0.96 (180deg=0) USER MOD Set 2.1: A 870 CYS SG : rot 37:sc= 1.07! USER MOD Set 2.2: A 873 CYS SG : rot -67:sc= -0.994 USER MOD Set 2.3: A 893 HIS : no HE2:sc= -2.62 K(o=-5.5,f=-7.6!) USER MOD Set 2.4: A 896 CYS SG : rot -145:sc= -2.93! USER MOD Set 3.1: A 892 TYR OH : rot -24:sc= 0.132 USER MOD Set 3.2: A 913 LYS NZ :NH3+ 175:sc= 0.955 (180deg=0.805) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -0.0843 X(o=-0.084,f=-0.58) USER MOD Single : A 866 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 874 ASN : amide:sc= 0.662 K(o=0.66,f=-0.16) USER MOD Single : A 875 LYS NZ :NH3+ -179:sc= 1.22 (180deg=1.09) USER MOD Single : A 880 SER OG : rot 120:sc= 1.25 USER MOD Single : A 882 MET CE :methyl 143:sc= -0.268 (180deg=-1.18) USER MOD Single : A 900 MET CE :methyl -163:sc= -0.102 (180deg=-0.55) USER MOD Single : A 908 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : A 916 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 857 9.908 4.920 -4.295 1.00 0.00 N ATOM 93 CA TYR A 857 8.772 5.516 -4.912 1.00 0.00 C ATOM 94 C TYR A 857 7.926 6.248 -3.900 1.00 0.00 C ATOM 95 O TYR A 857 6.803 5.849 -3.564 1.00 0.00 O ATOM 96 CB TYR A 857 7.995 4.455 -5.684 1.00 0.00 C ATOM 97 CG TYR A 857 8.872 3.673 -6.626 1.00 0.00 C ATOM 98 CD1 TYR A 857 9.529 2.543 -6.186 1.00 0.00 C ATOM 99 CD2 TYR A 857 9.066 4.079 -7.932 1.00 0.00 C ATOM 100 CE1 TYR A 857 10.349 1.829 -7.002 1.00 0.00 C ATOM 101 CE2 TYR A 857 9.889 3.367 -8.776 1.00 0.00 C ATOM 102 CZ TYR A 857 10.534 2.240 -8.304 1.00 0.00 C ATOM 103 OH TYR A 857 11.341 1.518 -9.142 1.00 0.00 O ATOM 0 HA TYR A 857 9.098 6.270 -5.628 1.00 0.00 H new ATOM 0 HB2 TYR A 857 7.522 3.771 -4.980 1.00 0.00 H new ATOM 0 HB3 TYR A 857 7.195 4.934 -6.249 1.00 0.00 H new ATOM 0 HD1 TYR A 857 9.388 2.217 -5.166 1.00 0.00 H new ATOM 0 HD2 TYR A 857 8.567 4.965 -8.295 1.00 0.00 H new ATOM 0 HE1 TYR A 857 10.851 0.947 -6.633 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.029 3.687 -9.798 1.00 0.00 H new ATOM 0 HH TYR A 857 11.362 1.944 -10.024 1.00 0.00 H new ATOM 113 N VAL A 858 8.522 7.258 -3.350 1.00 0.00 N ATOM 114 CA VAL A 858 7.883 8.142 -2.395 1.00 0.00 C ATOM 115 C VAL A 858 8.239 9.565 -2.781 1.00 0.00 C ATOM 116 O VAL A 858 9.420 9.942 -2.769 1.00 0.00 O ATOM 117 CB VAL A 858 8.348 7.881 -0.922 1.00 0.00 C ATOM 118 CG1 VAL A 858 7.630 8.816 0.048 1.00 0.00 C ATOM 119 CG2 VAL A 858 8.120 6.429 -0.506 1.00 0.00 C ATOM 0 H VAL A 858 9.491 7.507 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 858 6.808 7.963 -2.425 1.00 0.00 H new ATOM 0 HB VAL A 858 9.419 8.081 -0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 858 7.969 8.616 1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 858 7.853 9.851 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 858 6.555 8.650 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 858 8.455 6.288 0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 858 7.058 6.193 -0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 858 8.684 5.769 -1.165 1.00 0.00 H new ATOM 129 N ILE A 859 7.249 10.329 -3.155 1.00 0.00 N ATOM 130 CA ILE A 859 7.452 11.701 -3.574 1.00 0.00 C ATOM 131 C ILE A 859 6.908 12.613 -2.477 1.00 0.00 C ATOM 132 O ILE A 859 6.030 12.211 -1.718 1.00 0.00 O ATOM 133 CB ILE A 859 6.698 11.993 -4.927 1.00 0.00 C ATOM 134 CG1 ILE A 859 7.102 10.972 -5.998 1.00 0.00 C ATOM 135 CG2 ILE A 859 6.982 13.413 -5.429 1.00 0.00 C ATOM 136 CD1 ILE A 859 6.357 11.129 -7.309 1.00 0.00 C ATOM 0 H ILE A 859 6.276 10.024 -3.180 1.00 0.00 H new ATOM 0 HA ILE A 859 8.515 11.880 -3.737 1.00 0.00 H new ATOM 0 HB ILE A 859 5.629 11.906 -4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 859 8.172 11.062 -6.186 1.00 0.00 H new ATOM 0 HG13 ILE A 859 6.930 9.967 -5.612 1.00 0.00 H new ATOM 0 HG21 ILE A 859 6.447 13.582 -6.364 1.00 0.00 H new ATOM 0 HG22 ILE A 859 6.649 14.136 -4.684 1.00 0.00 H new ATOM 0 HG23 ILE A 859 8.052 13.532 -5.597 1.00 0.00 H new ATOM 0 HD11 ILE A 859 6.698 10.371 -8.014 1.00 0.00 H new ATOM 0 HD12 ILE A 859 5.287 11.009 -7.136 1.00 0.00 H new ATOM 0 HD13 ILE A 859 6.549 12.120 -7.720 1.00 0.00 H new ATOM 148 N ARG A 860 7.441 13.791 -2.352 1.00 0.00 N ATOM 149 CA ARG A 860 6.927 14.739 -1.414 1.00 0.00 C ATOM 150 C ARG A 860 6.218 15.837 -2.161 1.00 0.00 C ATOM 151 O ARG A 860 6.689 16.311 -3.207 1.00 0.00 O ATOM 152 CB ARG A 860 8.027 15.312 -0.516 1.00 0.00 C ATOM 153 CG ARG A 860 8.772 14.248 0.281 1.00 0.00 C ATOM 154 CD ARG A 860 9.858 14.857 1.139 1.00 0.00 C ATOM 155 NE ARG A 860 10.905 15.517 0.344 1.00 0.00 N ATOM 156 CZ ARG A 860 11.649 16.546 0.774 1.00 0.00 C ATOM 157 NH1 ARG A 860 11.480 17.027 2.000 1.00 0.00 N ATOM 158 NH2 ARG A 860 12.572 17.077 -0.015 1.00 0.00 N ATOM 0 H ARG A 860 8.240 14.120 -2.895 1.00 0.00 H new ATOM 0 HA ARG A 860 6.223 14.228 -0.757 1.00 0.00 H new ATOM 0 HB2 ARG A 860 8.740 15.860 -1.132 1.00 0.00 H new ATOM 0 HB3 ARG A 860 7.585 16.030 0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 860 8.068 13.706 0.913 1.00 0.00 H new ATOM 0 HG3 ARG A 860 9.211 13.521 -0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 860 9.413 15.582 1.821 1.00 0.00 H new ATOM 0 HD3 ARG A 860 10.310 14.078 1.753 1.00 0.00 H new ATOM 0 HE ARG A 860 11.077 15.168 -0.599 1.00 0.00 H new ATOM 0 HH11 ARG A 860 10.782 16.613 2.618 1.00 0.00 H new ATOM 0 HH12 ARG A 860 12.048 17.810 2.323 1.00 0.00 H new ATOM 0 HH21 ARG A 860 12.718 16.703 -0.953 1.00 0.00 H new ATOM 0 HH22 ARG A 860 13.136 17.860 0.315 1.00 0.00 H new ATOM 172 N ASP A 861 5.077 16.182 -1.673 1.00 0.00 N ATOM 173 CA ASP A 861 4.266 17.248 -2.232 1.00 0.00 C ATOM 174 C ASP A 861 4.820 18.600 -1.770 1.00 0.00 C ATOM 175 O ASP A 861 5.706 18.649 -0.913 1.00 0.00 O ATOM 176 CB ASP A 861 2.809 17.051 -1.778 1.00 0.00 C ATOM 177 CG ASP A 861 1.865 18.122 -2.236 1.00 0.00 C ATOM 178 OD1 ASP A 861 1.501 18.149 -3.417 1.00 0.00 O ATOM 179 OD2 ASP A 861 1.501 18.966 -1.422 1.00 0.00 O ATOM 0 H ASP A 861 4.659 15.732 -0.858 1.00 0.00 H new ATOM 0 HA ASP A 861 4.295 17.226 -3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 861 2.454 16.089 -2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 861 2.784 17.004 -0.689 1.00 0.00 H new ATOM 184 N GLU A 862 4.273 19.677 -2.283 1.00 0.00 N ATOM 185 CA GLU A 862 4.738 21.023 -1.970 1.00 0.00 C ATOM 186 C GLU A 862 4.404 21.396 -0.531 1.00 0.00 C ATOM 187 O GLU A 862 5.052 22.243 0.073 1.00 0.00 O ATOM 188 CB GLU A 862 4.170 22.053 -2.954 1.00 0.00 C ATOM 189 CG GLU A 862 2.649 22.103 -3.032 1.00 0.00 C ATOM 190 CD GLU A 862 2.169 23.155 -3.996 1.00 0.00 C ATOM 191 OE1 GLU A 862 2.021 22.851 -5.208 1.00 0.00 O ATOM 192 OE2 GLU A 862 1.970 24.304 -3.589 1.00 0.00 O ATOM 0 H GLU A 862 3.488 19.652 -2.934 1.00 0.00 H new ATOM 0 HA GLU A 862 5.823 21.031 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 862 4.536 23.041 -2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 862 4.562 21.838 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 862 2.269 21.129 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 862 2.241 22.306 -2.042 1.00 0.00 H new ATOM 199 N TRP A 863 3.387 20.758 0.020 1.00 0.00 N ATOM 200 CA TRP A 863 3.036 20.958 1.404 1.00 0.00 C ATOM 201 C TRP A 863 3.816 19.988 2.299 1.00 0.00 C ATOM 202 O TRP A 863 3.608 19.927 3.510 1.00 0.00 O ATOM 203 CB TRP A 863 1.532 20.794 1.592 1.00 0.00 C ATOM 204 CG TRP A 863 0.750 21.756 0.755 1.00 0.00 C ATOM 205 CD1 TRP A 863 0.073 21.483 -0.385 1.00 0.00 C ATOM 206 CD2 TRP A 863 0.603 23.154 0.977 1.00 0.00 C ATOM 207 NE1 TRP A 863 -0.506 22.619 -0.876 1.00 0.00 N ATOM 208 CE2 TRP A 863 -0.194 23.663 -0.062 1.00 0.00 C ATOM 209 CE3 TRP A 863 1.062 24.018 1.954 1.00 0.00 C ATOM 210 CZ2 TRP A 863 -0.541 25.000 -0.148 1.00 0.00 C ATOM 211 CZ3 TRP A 863 0.720 25.352 1.873 1.00 0.00 C ATOM 212 CH2 TRP A 863 -0.076 25.829 0.827 1.00 0.00 C ATOM 0 H TRP A 863 2.791 20.096 -0.477 1.00 0.00 H new ATOM 0 HA TRP A 863 3.306 21.973 1.696 1.00 0.00 H new ATOM 0 HB2 TRP A 863 1.244 19.774 1.335 1.00 0.00 H new ATOM 0 HB3 TRP A 863 1.281 20.941 2.642 1.00 0.00 H new ATOM 0 HD1 TRP A 863 0.001 20.507 -0.841 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -1.080 22.675 -1.717 1.00 0.00 H new ATOM 0 HE3 TRP A 863 1.676 23.656 2.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -1.155 25.371 -0.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 1.072 26.038 2.629 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -0.328 26.879 0.792 1.00 0.00 H new ATOM 223 N GLY A 864 4.721 19.235 1.673 1.00 0.00 N ATOM 224 CA GLY A 864 5.566 18.269 2.363 1.00 0.00 C ATOM 225 C GLY A 864 4.819 17.027 2.758 1.00 0.00 C ATOM 226 O GLY A 864 5.231 16.294 3.670 1.00 0.00 O ATOM 0 H GLY A 864 4.887 19.281 0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 864 6.401 17.997 1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 864 5.989 18.733 3.254 1.00 0.00 H new ATOM 230 N ASN A 865 3.733 16.784 2.079 1.00 0.00 N ATOM 231 CA ASN A 865 2.919 15.611 2.317 1.00 0.00 C ATOM 232 C ASN A 865 3.479 14.485 1.502 1.00 0.00 C ATOM 233 O ASN A 865 4.150 14.734 0.493 1.00 0.00 O ATOM 234 CB ASN A 865 1.456 15.872 1.929 1.00 0.00 C ATOM 235 CG ASN A 865 0.807 16.963 2.763 1.00 0.00 C ATOM 236 OD1 ASN A 865 1.141 17.153 3.933 1.00 0.00 O ATOM 237 ND2 ASN A 865 -0.104 17.685 2.177 1.00 0.00 N ATOM 0 H ASN A 865 3.381 17.393 1.340 1.00 0.00 H new ATOM 0 HA ASN A 865 2.937 15.358 3.377 1.00 0.00 H new ATOM 0 HB2 ASN A 865 1.409 16.151 0.876 1.00 0.00 H new ATOM 0 HB3 ASN A 865 0.886 14.950 2.040 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -0.566 18.437 2.689 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -0.355 17.499 1.206 1.00 0.00 H new ATOM 244 N GLN A 866 3.259 13.267 1.911 1.00 0.00 N ATOM 245 CA GLN A 866 3.800 12.172 1.171 1.00 0.00 C ATOM 246 C GLN A 866 2.913 11.732 0.062 1.00 0.00 C ATOM 247 O GLN A 866 1.701 11.544 0.227 1.00 0.00 O ATOM 248 CB GLN A 866 4.193 10.988 2.029 1.00 0.00 C ATOM 249 CG GLN A 866 5.390 11.249 2.909 1.00 0.00 C ATOM 250 CD GLN A 866 5.912 9.994 3.586 1.00 0.00 C ATOM 251 OE1 GLN A 866 5.053 9.042 3.838 1.00 0.00 O flip ATOM 252 NE2 GLN A 866 7.102 9.884 3.865 1.00 0.00 N flip ATOM 0 H GLN A 866 2.718 13.014 2.738 1.00 0.00 H new ATOM 0 HA GLN A 866 4.717 12.571 0.737 1.00 0.00 H new ATOM 0 HB2 GLN A 866 3.346 10.708 2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 866 4.407 10.137 1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 866 6.186 11.690 2.309 1.00 0.00 H new ATOM 0 HG3 GLN A 866 5.122 11.981 3.670 1.00 0.00 H new ATOM 0 HE21 GLN A 866 7.747 10.645 3.655 1.00 0.00 H new ATOM 0 HE22 GLN A 866 7.446 9.031 4.306 1.00 0.00 H new ATOM 261 N ILE A 867 3.514 11.611 -1.054 1.00 0.00 N ATOM 262 CA ILE A 867 2.898 11.094 -2.205 1.00 0.00 C ATOM 263 C ILE A 867 3.392 9.712 -2.356 1.00 0.00 C ATOM 264 O ILE A 867 4.562 9.465 -2.706 1.00 0.00 O ATOM 265 CB ILE A 867 3.233 11.896 -3.457 1.00 0.00 C ATOM 266 CG1 ILE A 867 2.696 13.309 -3.355 1.00 0.00 C ATOM 267 CG2 ILE A 867 2.698 11.204 -4.714 1.00 0.00 C ATOM 268 CD1 ILE A 867 1.197 13.375 -3.262 1.00 0.00 C ATOM 0 H ILE A 867 4.488 11.880 -1.196 1.00 0.00 H new ATOM 0 HA ILE A 867 1.815 11.140 -2.092 1.00 0.00 H new ATOM 0 HB ILE A 867 4.319 11.949 -3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 867 3.128 13.791 -2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 867 3.024 13.878 -4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 867 2.951 11.798 -5.592 1.00 0.00 H new ATOM 0 HG22 ILE A 867 3.147 10.215 -4.803 1.00 0.00 H new ATOM 0 HG23 ILE A 867 1.615 11.106 -4.642 1.00 0.00 H new ATOM 0 HD11 ILE A 867 0.882 14.416 -3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 867 0.757 12.922 -4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 867 0.863 12.835 -2.376 1.00 0.00 H new ATOM 280 N TRP A 868 2.549 8.839 -2.047 1.00 0.00 N ATOM 281 CA TRP A 868 2.849 7.462 -2.097 1.00 0.00 C ATOM 282 C TRP A 868 2.655 6.957 -3.489 1.00 0.00 C ATOM 283 O TRP A 868 1.704 7.347 -4.187 1.00 0.00 O ATOM 284 CB TRP A 868 1.964 6.681 -1.144 1.00 0.00 C ATOM 285 CG TRP A 868 2.178 6.989 0.309 1.00 0.00 C ATOM 286 CD1 TRP A 868 3.199 6.544 1.097 1.00 0.00 C ATOM 287 CD2 TRP A 868 1.336 7.783 1.151 1.00 0.00 C ATOM 288 NE1 TRP A 868 3.049 7.019 2.377 1.00 0.00 N ATOM 289 CE2 TRP A 868 1.912 7.783 2.437 1.00 0.00 C ATOM 290 CE3 TRP A 868 0.151 8.497 0.941 1.00 0.00 C ATOM 291 CZ2 TRP A 868 1.342 8.467 3.507 1.00 0.00 C ATOM 292 CZ3 TRP A 868 -0.412 9.176 2.004 1.00 0.00 C ATOM 293 CH2 TRP A 868 0.183 9.156 3.269 1.00 0.00 C ATOM 0 H TRP A 868 1.599 9.050 -1.741 1.00 0.00 H new ATOM 0 HA TRP A 868 3.887 7.324 -1.796 1.00 0.00 H new ATOM 0 HB2 TRP A 868 0.922 6.879 -1.393 1.00 0.00 H new ATOM 0 HB3 TRP A 868 2.133 5.616 -1.304 1.00 0.00 H new ATOM 0 HD1 TRP A 868 4.007 5.911 0.763 1.00 0.00 H new ATOM 0 HE1 TRP A 868 3.681 6.834 3.156 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -0.314 8.517 -0.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 1.796 8.455 4.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -1.326 9.731 1.856 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -0.283 9.698 4.079 1.00 0.00 H new ATOM 304 N ILE A 869 3.572 6.167 -3.916 1.00 0.00 N ATOM 305 CA ILE A 869 3.463 5.506 -5.159 1.00 0.00 C ATOM 306 C ILE A 869 3.073 4.079 -4.884 1.00 0.00 C ATOM 307 O ILE A 869 3.671 3.428 -4.030 1.00 0.00 O ATOM 308 CB ILE A 869 4.775 5.596 -5.984 1.00 0.00 C ATOM 309 CG1 ILE A 869 5.038 7.060 -6.399 1.00 0.00 C ATOM 310 CG2 ILE A 869 4.749 4.668 -7.198 1.00 0.00 C ATOM 311 CD1 ILE A 869 6.269 7.280 -7.253 1.00 0.00 C ATOM 0 H ILE A 869 4.429 5.961 -3.403 1.00 0.00 H new ATOM 0 HA ILE A 869 2.701 5.991 -5.770 1.00 0.00 H new ATOM 0 HB ILE A 869 5.597 5.260 -5.352 1.00 0.00 H new ATOM 0 HG12 ILE A 869 4.168 7.428 -6.943 1.00 0.00 H new ATOM 0 HG13 ILE A 869 5.129 7.665 -5.497 1.00 0.00 H new ATOM 0 HG21 ILE A 869 5.686 4.762 -7.748 1.00 0.00 H new ATOM 0 HG22 ILE A 869 4.625 3.637 -6.866 1.00 0.00 H new ATOM 0 HG23 ILE A 869 3.918 4.942 -7.848 1.00 0.00 H new ATOM 0 HD11 ILE A 869 6.363 8.340 -7.489 1.00 0.00 H new ATOM 0 HD12 ILE A 869 7.153 6.950 -6.708 1.00 0.00 H new ATOM 0 HD13 ILE A 869 6.178 6.709 -8.177 1.00 0.00 H new ATOM 323 N CYS A 870 2.049 3.649 -5.556 1.00 0.00 N ATOM 324 CA CYS A 870 1.483 2.355 -5.458 1.00 0.00 C ATOM 325 C CYS A 870 2.337 1.420 -6.302 1.00 0.00 C ATOM 326 O CYS A 870 2.352 1.537 -7.525 1.00 0.00 O ATOM 327 CB CYS A 870 0.046 2.474 -6.030 1.00 0.00 C ATOM 328 SG CYS A 870 -0.995 0.990 -6.111 1.00 0.00 S ATOM 0 H CYS A 870 1.561 4.239 -6.230 1.00 0.00 H new ATOM 0 HA CYS A 870 1.447 1.969 -4.439 1.00 0.00 H new ATOM 0 HB2 CYS A 870 -0.485 3.216 -5.434 1.00 0.00 H new ATOM 0 HB3 CYS A 870 0.126 2.875 -7.040 1.00 0.00 H new ATOM 0 HG CYS A 870 -0.767 0.243 -5.072 1.00 0.00 H new ATOM 333 N PRO A 871 3.109 0.516 -5.673 1.00 0.00 N ATOM 334 CA PRO A 871 3.947 -0.468 -6.383 1.00 0.00 C ATOM 335 C PRO A 871 3.140 -1.451 -7.258 1.00 0.00 C ATOM 336 O PRO A 871 3.714 -2.331 -7.915 1.00 0.00 O ATOM 337 CB PRO A 871 4.665 -1.219 -5.253 1.00 0.00 C ATOM 338 CG PRO A 871 4.604 -0.295 -4.091 1.00 0.00 C ATOM 339 CD PRO A 871 3.294 0.422 -4.217 1.00 0.00 C ATOM 0 HA PRO A 871 4.619 0.026 -7.085 1.00 0.00 H new ATOM 0 HB2 PRO A 871 4.174 -2.167 -5.032 1.00 0.00 H new ATOM 0 HB3 PRO A 871 5.696 -1.449 -5.523 1.00 0.00 H new ATOM 0 HG2 PRO A 871 4.662 -0.843 -3.151 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.438 0.407 -4.103 1.00 0.00 H new ATOM 0 HD2 PRO A 871 2.484 -0.131 -3.742 1.00 0.00 H new ATOM 0 HD3 PRO A 871 3.326 1.406 -3.749 1.00 0.00 H new ATOM 347 N GLY A 872 1.828 -1.310 -7.255 1.00 0.00 N ATOM 348 CA GLY A 872 0.992 -2.125 -8.085 1.00 0.00 C ATOM 349 C GLY A 872 1.056 -1.668 -9.526 1.00 0.00 C ATOM 350 O GLY A 872 1.292 -2.471 -10.436 1.00 0.00 O ATOM 0 H GLY A 872 1.326 -0.633 -6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 872 1.307 -3.166 -8.015 1.00 0.00 H new ATOM 0 HA3 GLY A 872 -0.037 -2.078 -7.729 1.00 0.00 H new ATOM 354 N CYS A 873 0.893 -0.387 -9.727 1.00 0.00 N ATOM 355 CA CYS A 873 0.906 0.201 -11.045 1.00 0.00 C ATOM 356 C CYS A 873 2.190 1.006 -11.278 1.00 0.00 C ATOM 357 O CYS A 873 2.567 1.287 -12.432 1.00 0.00 O ATOM 358 CB CYS A 873 -0.296 1.106 -11.114 1.00 0.00 C ATOM 359 SG CYS A 873 -0.450 2.112 -9.623 1.00 0.00 S ATOM 0 H CYS A 873 0.746 0.286 -8.975 1.00 0.00 H new ATOM 0 HA CYS A 873 0.873 -0.571 -11.814 1.00 0.00 H new ATOM 0 HB2 CYS A 873 -0.215 1.755 -11.986 1.00 0.00 H new ATOM 0 HB3 CYS A 873 -1.197 0.507 -11.245 1.00 0.00 H new ATOM 0 HG CYS A 873 -0.718 1.345 -8.608 1.00 0.00 H new ATOM 364 N ASN A 874 2.829 1.377 -10.164 1.00 0.00 N ATOM 365 CA ASN A 874 4.054 2.190 -10.106 1.00 0.00 C ATOM 366 C ASN A 874 3.678 3.669 -10.314 1.00 0.00 C ATOM 367 O ASN A 874 4.498 4.528 -10.660 1.00 0.00 O ATOM 368 CB ASN A 874 5.148 1.663 -11.088 1.00 0.00 C ATOM 369 CG ASN A 874 6.522 2.313 -10.934 1.00 0.00 C ATOM 370 OD1 ASN A 874 6.868 3.270 -11.633 1.00 0.00 O ATOM 371 ND2 ASN A 874 7.315 1.800 -10.029 1.00 0.00 N ATOM 0 H ASN A 874 2.495 1.109 -9.238 1.00 0.00 H new ATOM 0 HA ASN A 874 4.515 2.104 -9.122 1.00 0.00 H new ATOM 0 HB2 ASN A 874 5.254 0.587 -10.947 1.00 0.00 H new ATOM 0 HB3 ASN A 874 4.802 1.818 -12.110 1.00 0.00 H new ATOM 0 HD21 ASN A 874 8.246 2.191 -9.886 1.00 0.00 H new ATOM 0 HD22 ASN A 874 7.002 1.009 -9.466 1.00 0.00 H new ATOM 378 N LYS A 875 2.425 3.968 -10.022 1.00 0.00 N ATOM 379 CA LYS A 875 1.899 5.310 -10.128 1.00 0.00 C ATOM 380 C LYS A 875 1.817 5.984 -8.775 1.00 0.00 C ATOM 381 O LYS A 875 1.492 5.345 -7.764 1.00 0.00 O ATOM 382 CB LYS A 875 0.493 5.301 -10.693 1.00 0.00 C ATOM 383 CG LYS A 875 0.344 4.869 -12.134 1.00 0.00 C ATOM 384 CD LYS A 875 -1.138 4.736 -12.496 1.00 0.00 C ATOM 385 CE LYS A 875 -1.929 6.009 -12.177 1.00 0.00 C ATOM 386 NZ LYS A 875 -3.376 5.870 -12.466 1.00 0.00 N ATOM 0 H LYS A 875 1.743 3.280 -9.703 1.00 0.00 H new ATOM 0 HA LYS A 875 2.581 5.850 -10.784 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -0.118 4.643 -10.075 1.00 0.00 H new ATOM 0 HB3 LYS A 875 0.080 6.305 -10.594 1.00 0.00 H new ATOM 0 HG2 LYS A 875 0.822 5.596 -12.790 1.00 0.00 H new ATOM 0 HG3 LYS A 875 0.851 3.917 -12.290 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -1.232 4.509 -13.558 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -1.569 3.896 -11.951 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -1.795 6.261 -11.125 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -1.525 6.838 -12.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -3.861 6.764 -12.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -3.509 5.640 -13.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -3.775 5.109 -11.881 1.00 0.00 H new ATOM 400 N PRO A 876 2.118 7.280 -8.736 1.00 0.00 N ATOM 401 CA PRO A 876 1.886 8.102 -7.565 1.00 0.00 C ATOM 402 C PRO A 876 0.407 8.376 -7.435 1.00 0.00 C ATOM 403 O PRO A 876 -0.381 7.949 -8.293 1.00 0.00 O ATOM 404 CB PRO A 876 2.629 9.407 -7.870 1.00 0.00 C ATOM 405 CG PRO A 876 2.749 9.463 -9.353 1.00 0.00 C ATOM 406 CD PRO A 876 2.724 8.044 -9.846 1.00 0.00 C ATOM 0 HA PRO A 876 2.222 7.634 -6.640 1.00 0.00 H new ATOM 0 HB2 PRO A 876 2.081 10.268 -7.488 1.00 0.00 H new ATOM 0 HB3 PRO A 876 3.611 9.419 -7.397 1.00 0.00 H new ATOM 0 HG2 PRO A 876 1.929 10.037 -9.785 1.00 0.00 H new ATOM 0 HG3 PRO A 876 3.674 9.958 -9.647 1.00 0.00 H new ATOM 0 HD2 PRO A 876 2.137 7.951 -10.760 1.00 0.00 H new ATOM 0 HD3 PRO A 876 3.728 7.685 -10.074 1.00 0.00 H new ATOM 414 N ASP A 877 0.006 9.010 -6.360 1.00 0.00 N ATOM 415 CA ASP A 877 -1.374 9.402 -6.218 1.00 0.00 C ATOM 416 C ASP A 877 -1.771 10.348 -7.324 1.00 0.00 C ATOM 417 O ASP A 877 -1.318 11.491 -7.395 1.00 0.00 O ATOM 418 CB ASP A 877 -1.680 10.007 -4.867 1.00 0.00 C ATOM 419 CG ASP A 877 -3.121 10.474 -4.784 1.00 0.00 C ATOM 420 OD1 ASP A 877 -4.010 9.816 -5.357 1.00 0.00 O ATOM 421 OD2 ASP A 877 -3.385 11.491 -4.119 1.00 0.00 O ATOM 0 H ASP A 877 0.609 9.263 -5.578 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.967 8.491 -6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -1.489 9.272 -4.085 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -1.012 10.849 -4.684 1.00 0.00 H new ATOM 426 N ASP A 878 -2.585 9.839 -8.182 1.00 0.00 N ATOM 427 CA ASP A 878 -3.066 10.530 -9.344 1.00 0.00 C ATOM 428 C ASP A 878 -4.469 11.025 -9.085 1.00 0.00 C ATOM 429 O ASP A 878 -5.182 11.432 -10.011 1.00 0.00 O ATOM 430 CB ASP A 878 -3.061 9.568 -10.546 1.00 0.00 C ATOM 431 CG ASP A 878 -4.020 8.392 -10.392 1.00 0.00 C ATOM 432 OD1 ASP A 878 -4.080 7.769 -9.306 1.00 0.00 O ATOM 433 OD2 ASP A 878 -4.695 8.021 -11.377 1.00 0.00 O ATOM 0 H ASP A 878 -2.953 8.892 -8.096 1.00 0.00 H new ATOM 0 HA ASP A 878 -2.421 11.381 -9.563 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -3.323 10.124 -11.446 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -2.051 9.185 -10.690 1.00 0.00 H new ATOM 438 N GLY A 879 -4.857 10.997 -7.836 1.00 0.00 N ATOM 439 CA GLY A 879 -6.160 11.433 -7.452 1.00 0.00 C ATOM 440 C GLY A 879 -7.035 10.255 -7.195 1.00 0.00 C ATOM 441 O GLY A 879 -8.151 10.162 -7.724 1.00 0.00 O ATOM 0 H GLY A 879 -4.275 10.671 -7.064 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -6.097 12.052 -6.557 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -6.592 12.053 -8.238 1.00 0.00 H new ATOM 445 N SER A 880 -6.533 9.335 -6.417 1.00 0.00 N ATOM 446 CA SER A 880 -7.233 8.149 -6.107 1.00 0.00 C ATOM 447 C SER A 880 -7.220 7.944 -4.589 1.00 0.00 C ATOM 448 O SER A 880 -6.356 8.491 -3.895 1.00 0.00 O ATOM 449 CB SER A 880 -6.543 6.978 -6.795 1.00 0.00 C ATOM 450 OG SER A 880 -6.408 7.190 -8.198 1.00 0.00 O ATOM 0 H SER A 880 -5.613 9.403 -5.982 1.00 0.00 H new ATOM 0 HA SER A 880 -8.265 8.216 -6.452 1.00 0.00 H new ATOM 0 HB2 SER A 880 -5.558 6.828 -6.354 1.00 0.00 H new ATOM 0 HB3 SER A 880 -7.114 6.066 -6.619 1.00 0.00 H new ATOM 0 HG SER A 880 -5.459 7.171 -8.442 1.00 0.00 H new ATOM 456 N PRO A 881 -8.172 7.189 -4.040 1.00 0.00 N ATOM 457 CA PRO A 881 -8.185 6.881 -2.630 1.00 0.00 C ATOM 458 C PRO A 881 -7.132 5.816 -2.360 1.00 0.00 C ATOM 459 O PRO A 881 -6.990 4.845 -3.138 1.00 0.00 O ATOM 460 CB PRO A 881 -9.606 6.342 -2.378 1.00 0.00 C ATOM 461 CG PRO A 881 -10.339 6.519 -3.673 1.00 0.00 C ATOM 462 CD PRO A 881 -9.288 6.559 -4.734 1.00 0.00 C ATOM 0 HA PRO A 881 -7.960 7.730 -1.984 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -9.581 5.293 -2.082 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -10.096 6.889 -1.572 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -11.035 5.698 -3.843 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -10.925 7.438 -3.668 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -9.033 5.562 -5.092 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -9.607 7.138 -5.601 1.00 0.00 H new ATOM 470 N MET A 882 -6.369 5.994 -1.324 1.00 0.00 N ATOM 471 CA MET A 882 -5.290 5.095 -1.069 1.00 0.00 C ATOM 472 C MET A 882 -5.511 4.353 0.213 1.00 0.00 C ATOM 473 O MET A 882 -6.019 4.908 1.185 1.00 0.00 O ATOM 474 CB MET A 882 -3.932 5.821 -1.066 1.00 0.00 C ATOM 475 CG MET A 882 -3.671 6.621 -2.338 1.00 0.00 C ATOM 476 SD MET A 882 -1.978 7.229 -2.490 1.00 0.00 S ATOM 477 CE MET A 882 -1.101 5.688 -2.781 1.00 0.00 C ATOM 0 H MET A 882 -6.474 6.749 -0.647 1.00 0.00 H new ATOM 0 HA MET A 882 -5.264 4.370 -1.882 1.00 0.00 H new ATOM 0 HB2 MET A 882 -3.889 6.492 -0.208 1.00 0.00 H new ATOM 0 HB3 MET A 882 -3.136 5.087 -0.937 1.00 0.00 H new ATOM 0 HG2 MET A 882 -3.900 5.996 -3.201 1.00 0.00 H new ATOM 0 HG3 MET A 882 -4.355 7.469 -2.368 1.00 0.00 H new ATOM 0 HE1 MET A 882 -0.295 5.857 -3.495 1.00 0.00 H new ATOM 0 HE2 MET A 882 -0.684 5.324 -1.842 1.00 0.00 H new ATOM 0 HE3 MET A 882 -1.792 4.947 -3.183 1.00 0.00 H new ATOM 487 N ILE A 883 -5.138 3.118 0.205 1.00 0.00 N ATOM 488 CA ILE A 883 -5.280 2.260 1.332 1.00 0.00 C ATOM 489 C ILE A 883 -3.889 1.720 1.673 1.00 0.00 C ATOM 490 O ILE A 883 -3.105 1.398 0.774 1.00 0.00 O ATOM 491 CB ILE A 883 -6.307 1.105 1.045 1.00 0.00 C ATOM 492 CG1 ILE A 883 -6.541 0.258 2.302 1.00 0.00 C ATOM 493 CG2 ILE A 883 -5.876 0.250 -0.140 1.00 0.00 C ATOM 494 CD1 ILE A 883 -7.687 -0.718 2.175 1.00 0.00 C ATOM 0 H ILE A 883 -4.715 2.666 -0.606 1.00 0.00 H new ATOM 0 HA ILE A 883 -5.682 2.809 2.183 1.00 0.00 H new ATOM 0 HB ILE A 883 -7.257 1.564 0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 883 -5.630 -0.294 2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 883 -6.733 0.921 3.145 1.00 0.00 H new ATOM 0 HG21 ILE A 883 -6.611 -0.537 -0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 883 -5.803 0.873 -1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 883 -4.905 -0.199 0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 883 -7.790 -1.280 3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 883 -8.609 -0.172 1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 883 -7.489 -1.407 1.354 1.00 0.00 H new ATOM 506 N GLY A 884 -3.557 1.695 2.932 1.00 0.00 N ATOM 507 CA GLY A 884 -2.248 1.260 3.325 1.00 0.00 C ATOM 508 C GLY A 884 -2.307 0.072 4.211 1.00 0.00 C ATOM 509 O GLY A 884 -3.307 -0.128 4.914 1.00 0.00 O ATOM 0 H GLY A 884 -4.170 1.969 3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 884 -1.662 1.023 2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 884 -1.734 2.072 3.839 1.00 0.00 H new ATOM 513 N CYS A 885 -1.254 -0.726 4.169 1.00 0.00 N ATOM 514 CA CYS A 885 -1.129 -1.930 4.960 1.00 0.00 C ATOM 515 C CYS A 885 -1.229 -1.612 6.460 1.00 0.00 C ATOM 516 O CYS A 885 -1.059 -0.458 6.888 1.00 0.00 O ATOM 517 CB CYS A 885 0.235 -2.601 4.639 1.00 0.00 C ATOM 518 SG CYS A 885 0.561 -4.203 5.443 1.00 0.00 S ATOM 0 H CYS A 885 -0.447 -0.548 3.571 1.00 0.00 H new ATOM 0 HA CYS A 885 -1.943 -2.611 4.711 1.00 0.00 H new ATOM 0 HB2 CYS A 885 0.301 -2.741 3.560 1.00 0.00 H new ATOM 0 HB3 CYS A 885 1.030 -1.910 4.920 1.00 0.00 H new ATOM 0 HG CYS A 885 1.837 -4.452 5.414 1.00 0.00 H new ATOM 523 N ASP A 886 -1.533 -2.619 7.235 1.00 0.00 N ATOM 524 CA ASP A 886 -1.577 -2.469 8.679 1.00 0.00 C ATOM 525 C ASP A 886 -0.204 -2.728 9.241 1.00 0.00 C ATOM 526 O ASP A 886 0.184 -2.170 10.271 1.00 0.00 O ATOM 527 CB ASP A 886 -2.576 -3.439 9.322 1.00 0.00 C ATOM 528 CG ASP A 886 -2.680 -3.252 10.828 1.00 0.00 C ATOM 529 OD1 ASP A 886 -3.419 -2.358 11.274 1.00 0.00 O ATOM 530 OD2 ASP A 886 -2.024 -3.993 11.601 1.00 0.00 O ATOM 0 H ASP A 886 -1.755 -3.556 6.898 1.00 0.00 H new ATOM 0 HA ASP A 886 -1.902 -1.453 8.905 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -3.558 -3.295 8.872 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -2.273 -4.464 9.106 1.00 0.00 H new ATOM 535 N ASP A 887 0.557 -3.529 8.532 1.00 0.00 N ATOM 536 CA ASP A 887 1.859 -3.934 9.003 1.00 0.00 C ATOM 537 C ASP A 887 2.884 -2.880 8.638 1.00 0.00 C ATOM 538 O ASP A 887 3.749 -2.543 9.436 1.00 0.00 O ATOM 539 CB ASP A 887 2.250 -5.296 8.416 1.00 0.00 C ATOM 540 CG ASP A 887 3.462 -5.909 9.086 1.00 0.00 C ATOM 541 OD1 ASP A 887 3.289 -6.617 10.096 1.00 0.00 O ATOM 542 OD2 ASP A 887 4.599 -5.746 8.590 1.00 0.00 O ATOM 0 H ASP A 887 0.295 -3.914 7.624 1.00 0.00 H new ATOM 0 HA ASP A 887 1.826 -4.035 10.088 1.00 0.00 H new ATOM 0 HB2 ASP A 887 1.407 -5.980 8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 887 2.451 -5.181 7.351 1.00 0.00 H new ATOM 547 N CYS A 888 2.757 -2.329 7.458 1.00 0.00 N ATOM 548 CA CYS A 888 3.669 -1.317 7.012 1.00 0.00 C ATOM 549 C CYS A 888 2.931 -0.195 6.299 1.00 0.00 C ATOM 550 O CYS A 888 1.768 -0.330 5.946 1.00 0.00 O ATOM 551 CB CYS A 888 4.736 -1.948 6.101 1.00 0.00 C ATOM 552 SG CYS A 888 4.088 -2.990 4.736 1.00 0.00 S ATOM 0 H CYS A 888 2.026 -2.568 6.788 1.00 0.00 H new ATOM 0 HA CYS A 888 4.164 -0.880 7.879 1.00 0.00 H new ATOM 0 HB2 CYS A 888 5.340 -1.150 5.671 1.00 0.00 H new ATOM 0 HB3 CYS A 888 5.401 -2.555 6.715 1.00 0.00 H new ATOM 0 HG CYS A 888 3.966 -4.217 5.147 1.00 0.00 H new ATOM 557 N ASP A 889 3.603 0.894 6.078 1.00 0.00 N ATOM 558 CA ASP A 889 3.024 1.999 5.342 1.00 0.00 C ATOM 559 C ASP A 889 3.309 1.841 3.892 1.00 0.00 C ATOM 560 O ASP A 889 4.152 2.537 3.314 1.00 0.00 O ATOM 561 CB ASP A 889 3.467 3.380 5.829 1.00 0.00 C ATOM 562 CG ASP A 889 2.804 3.799 7.104 1.00 0.00 C ATOM 563 OD1 ASP A 889 1.640 4.260 7.054 1.00 0.00 O ATOM 564 OD2 ASP A 889 3.442 3.713 8.178 1.00 0.00 O ATOM 0 H ASP A 889 4.560 1.051 6.395 1.00 0.00 H new ATOM 0 HA ASP A 889 1.950 1.958 5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 889 4.547 3.377 5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 889 3.250 4.117 5.056 1.00 0.00 H new ATOM 569 N ASP A 890 2.699 0.852 3.338 1.00 0.00 N ATOM 570 CA ASP A 890 2.807 0.558 1.943 1.00 0.00 C ATOM 571 C ASP A 890 1.438 0.848 1.384 1.00 0.00 C ATOM 572 O ASP A 890 0.493 0.072 1.565 1.00 0.00 O ATOM 573 CB ASP A 890 3.214 -0.912 1.763 1.00 0.00 C ATOM 574 CG ASP A 890 3.840 -1.235 0.416 1.00 0.00 C ATOM 575 OD1 ASP A 890 4.705 -0.464 -0.052 1.00 0.00 O ATOM 576 OD2 ASP A 890 3.585 -2.335 -0.145 1.00 0.00 O ATOM 0 H ASP A 890 2.096 0.208 3.850 1.00 0.00 H new ATOM 0 HA ASP A 890 3.566 1.148 1.429 1.00 0.00 H new ATOM 0 HB2 ASP A 890 3.919 -1.179 2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 890 2.333 -1.539 1.899 1.00 0.00 H new ATOM 581 N TRP A 891 1.309 2.021 0.832 1.00 0.00 N ATOM 582 CA TRP A 891 0.025 2.547 0.402 1.00 0.00 C ATOM 583 C TRP A 891 -0.229 2.317 -1.071 1.00 0.00 C ATOM 584 O TRP A 891 0.603 2.647 -1.918 1.00 0.00 O ATOM 585 CB TRP A 891 -0.104 4.039 0.764 1.00 0.00 C ATOM 586 CG TRP A 891 -0.221 4.303 2.248 1.00 0.00 C ATOM 587 CD1 TRP A 891 0.768 4.218 3.195 1.00 0.00 C ATOM 588 CD2 TRP A 891 -1.400 4.712 2.946 1.00 0.00 C ATOM 589 NE1 TRP A 891 0.259 4.520 4.443 1.00 0.00 N ATOM 590 CE2 TRP A 891 -1.067 4.835 4.309 1.00 0.00 C ATOM 591 CE3 TRP A 891 -2.709 4.981 2.547 1.00 0.00 C ATOM 592 CZ2 TRP A 891 -2.003 5.211 5.268 1.00 0.00 C ATOM 593 CZ3 TRP A 891 -3.634 5.356 3.497 1.00 0.00 C ATOM 594 CH2 TRP A 891 -3.279 5.469 4.845 1.00 0.00 C ATOM 0 H TRP A 891 2.093 2.652 0.662 1.00 0.00 H new ATOM 0 HA TRP A 891 -0.744 1.994 0.941 1.00 0.00 H new ATOM 0 HB2 TRP A 891 0.764 4.573 0.378 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -0.980 4.450 0.262 1.00 0.00 H new ATOM 0 HD1 TRP A 891 1.796 3.953 2.994 1.00 0.00 H new ATOM 0 HE1 TRP A 891 0.783 4.510 5.318 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -2.994 4.897 1.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -1.732 5.296 6.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -4.650 5.566 3.196 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -4.026 5.766 5.566 1.00 0.00 H new ATOM 605 N TYR A 892 -1.378 1.759 -1.359 1.00 0.00 N ATOM 606 CA TYR A 892 -1.793 1.435 -2.711 1.00 0.00 C ATOM 607 C TYR A 892 -3.083 2.119 -3.020 1.00 0.00 C ATOM 608 O TYR A 892 -3.735 2.660 -2.127 1.00 0.00 O ATOM 609 CB TYR A 892 -1.978 -0.076 -2.873 1.00 0.00 C ATOM 610 CG TYR A 892 -0.699 -0.847 -2.827 1.00 0.00 C ATOM 611 CD1 TYR A 892 -0.028 -1.018 -1.647 1.00 0.00 C ATOM 612 CD2 TYR A 892 -0.150 -1.385 -3.975 1.00 0.00 C ATOM 613 CE1 TYR A 892 1.136 -1.692 -1.598 1.00 0.00 C ATOM 614 CE2 TYR A 892 1.035 -2.073 -3.934 1.00 0.00 C ATOM 615 CZ TYR A 892 1.671 -2.221 -2.728 1.00 0.00 C ATOM 616 OH TYR A 892 2.864 -2.871 -2.649 1.00 0.00 O ATOM 0 H TYR A 892 -2.068 1.510 -0.650 1.00 0.00 H new ATOM 0 HA TYR A 892 -1.017 1.774 -3.398 1.00 0.00 H new ATOM 0 HB2 TYR A 892 -2.639 -0.439 -2.086 1.00 0.00 H new ATOM 0 HB3 TYR A 892 -2.476 -0.272 -3.822 1.00 0.00 H new ATOM 0 HD1 TYR A 892 -0.440 -0.605 -0.738 1.00 0.00 H new ATOM 0 HD2 TYR A 892 -0.662 -1.262 -4.918 1.00 0.00 H new ATOM 0 HE1 TYR A 892 1.647 -1.813 -0.654 1.00 0.00 H new ATOM 0 HE2 TYR A 892 1.460 -2.491 -4.835 1.00 0.00 H new ATOM 0 HH TYR A 892 3.360 -2.550 -1.867 1.00 0.00 H new ATOM 626 N HIS A 893 -3.462 2.095 -4.252 1.00 0.00 N ATOM 627 CA HIS A 893 -4.708 2.702 -4.666 1.00 0.00 C ATOM 628 C HIS A 893 -5.835 1.695 -4.568 1.00 0.00 C ATOM 629 O HIS A 893 -5.612 0.493 -4.726 1.00 0.00 O ATOM 630 CB HIS A 893 -4.622 3.231 -6.100 1.00 0.00 C ATOM 631 CG HIS A 893 -3.572 4.273 -6.320 1.00 0.00 C ATOM 632 ND1 HIS A 893 -2.512 4.045 -7.159 1.00 0.00 N ATOM 633 CD2 HIS A 893 -3.474 5.521 -5.811 1.00 0.00 C ATOM 634 CE1 HIS A 893 -1.790 5.173 -7.137 1.00 0.00 C ATOM 635 NE2 HIS A 893 -2.338 6.078 -6.338 1.00 0.00 N ATOM 0 H HIS A 893 -2.930 1.660 -5.006 1.00 0.00 H new ATOM 0 HA HIS A 893 -4.905 3.542 -4.000 1.00 0.00 H new ATOM 0 HB2 HIS A 893 -4.430 2.394 -6.771 1.00 0.00 H new ATOM 0 HB3 HIS A 893 -5.591 3.646 -6.378 1.00 0.00 H new ATOM 0 HD1 HIS A 893 -2.315 3.196 -7.688 1.00 0.00 H new ATOM 0 HD2 HIS A 893 -4.160 5.990 -5.121 1.00 0.00 H new ATOM 0 HE1 HIS A 893 -0.879 5.326 -7.697 1.00 0.00 H new ATOM 643 N TRP A 894 -7.035 2.188 -4.304 1.00 0.00 N ATOM 644 CA TRP A 894 -8.249 1.353 -4.233 1.00 0.00 C ATOM 645 C TRP A 894 -8.426 0.407 -5.454 1.00 0.00 C ATOM 646 O TRP A 894 -8.505 -0.822 -5.270 1.00 0.00 O ATOM 647 CB TRP A 894 -9.517 2.208 -4.016 1.00 0.00 C ATOM 648 CG TRP A 894 -9.782 2.623 -2.598 1.00 0.00 C ATOM 649 CD1 TRP A 894 -8.918 2.602 -1.536 1.00 0.00 C ATOM 650 CD2 TRP A 894 -11.030 3.113 -2.090 1.00 0.00 C ATOM 651 NE1 TRP A 894 -9.563 3.046 -0.402 1.00 0.00 N ATOM 652 CE2 TRP A 894 -10.859 3.366 -0.719 1.00 0.00 C ATOM 653 CE3 TRP A 894 -12.278 3.359 -2.670 1.00 0.00 C ATOM 654 CZ2 TRP A 894 -11.896 3.856 0.079 1.00 0.00 C ATOM 655 CZ3 TRP A 894 -13.298 3.844 -1.880 1.00 0.00 C ATOM 656 CH2 TRP A 894 -13.100 4.088 -0.519 1.00 0.00 C ATOM 0 H TRP A 894 -7.207 3.178 -4.131 1.00 0.00 H new ATOM 0 HA TRP A 894 -8.109 0.711 -3.363 1.00 0.00 H new ATOM 0 HB2 TRP A 894 -9.439 3.105 -4.630 1.00 0.00 H new ATOM 0 HB3 TRP A 894 -10.378 1.648 -4.379 1.00 0.00 H new ATOM 0 HD1 TRP A 894 -7.886 2.285 -1.580 1.00 0.00 H new ATOM 0 HE1 TRP A 894 -9.144 3.124 0.525 1.00 0.00 H new ATOM 0 HE3 TRP A 894 -12.440 3.172 -3.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 -11.750 4.044 1.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 -14.265 4.038 -2.320 1.00 0.00 H new ATOM 0 HH2 TRP A 894 -13.919 4.469 0.073 1.00 0.00 H new ATOM 667 N PRO A 895 -8.456 0.930 -6.723 1.00 0.00 N ATOM 668 CA PRO A 895 -8.653 0.086 -7.922 1.00 0.00 C ATOM 669 C PRO A 895 -7.505 -0.904 -8.184 1.00 0.00 C ATOM 670 O PRO A 895 -7.632 -1.809 -9.009 1.00 0.00 O ATOM 671 CB PRO A 895 -8.738 1.106 -9.070 1.00 0.00 C ATOM 672 CG PRO A 895 -8.024 2.304 -8.556 1.00 0.00 C ATOM 673 CD PRO A 895 -8.351 2.365 -7.104 1.00 0.00 C ATOM 0 HA PRO A 895 -9.534 -0.545 -7.808 1.00 0.00 H new ATOM 0 HB2 PRO A 895 -8.270 0.723 -9.977 1.00 0.00 H new ATOM 0 HB3 PRO A 895 -9.773 1.338 -9.320 1.00 0.00 H new ATOM 0 HG2 PRO A 895 -6.949 2.219 -8.714 1.00 0.00 H new ATOM 0 HG3 PRO A 895 -8.351 3.207 -9.071 1.00 0.00 H new ATOM 0 HD2 PRO A 895 -7.574 2.877 -6.537 1.00 0.00 H new ATOM 0 HD3 PRO A 895 -9.283 2.900 -6.923 1.00 0.00 H new ATOM 681 N CYS A 896 -6.410 -0.743 -7.482 1.00 0.00 N ATOM 682 CA CYS A 896 -5.260 -1.591 -7.672 1.00 0.00 C ATOM 683 C CYS A 896 -5.303 -2.831 -6.787 1.00 0.00 C ATOM 684 O CYS A 896 -4.789 -3.885 -7.152 1.00 0.00 O ATOM 685 CB CYS A 896 -4.026 -0.767 -7.377 1.00 0.00 C ATOM 686 SG CYS A 896 -3.931 0.723 -8.408 1.00 0.00 S ATOM 0 H CYS A 896 -6.291 -0.025 -6.767 1.00 0.00 H new ATOM 0 HA CYS A 896 -5.248 -1.953 -8.700 1.00 0.00 H new ATOM 0 HB2 CYS A 896 -4.027 -0.479 -6.326 1.00 0.00 H new ATOM 0 HB3 CYS A 896 -3.137 -1.376 -7.540 1.00 0.00 H new ATOM 0 HG CYS A 896 -2.688 0.973 -8.696 1.00 0.00 H new ATOM 691 N VAL A 897 -5.923 -2.714 -5.644 1.00 0.00 N ATOM 692 CA VAL A 897 -5.940 -3.806 -4.694 1.00 0.00 C ATOM 693 C VAL A 897 -7.329 -4.387 -4.500 1.00 0.00 C ATOM 694 O VAL A 897 -7.533 -5.286 -3.664 1.00 0.00 O ATOM 695 CB VAL A 897 -5.312 -3.400 -3.350 1.00 0.00 C ATOM 696 CG1 VAL A 897 -3.821 -3.184 -3.513 1.00 0.00 C ATOM 697 CG2 VAL A 897 -5.955 -2.136 -2.839 1.00 0.00 C ATOM 0 H VAL A 897 -6.424 -1.878 -5.343 1.00 0.00 H new ATOM 0 HA VAL A 897 -5.325 -4.596 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 897 -5.479 -4.202 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 897 -3.388 -2.897 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 897 -3.355 -4.107 -3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 897 -3.646 -2.393 -4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 897 -5.503 -1.857 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 897 -5.804 -1.334 -3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 897 -7.023 -2.302 -2.699 1.00 0.00 H new ATOM 707 N GLY A 898 -8.272 -3.878 -5.256 1.00 0.00 N ATOM 708 CA GLY A 898 -9.596 -4.435 -5.234 1.00 0.00 C ATOM 709 C GLY A 898 -10.492 -3.818 -4.192 1.00 0.00 C ATOM 710 O GLY A 898 -11.225 -4.521 -3.489 1.00 0.00 O ATOM 0 H GLY A 898 -8.146 -3.087 -5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 898 -10.052 -4.306 -6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 898 -9.527 -5.508 -5.053 1.00 0.00 H new ATOM 714 N ILE A 899 -10.431 -2.524 -4.056 1.00 0.00 N ATOM 715 CA ILE A 899 -11.306 -1.844 -3.142 1.00 0.00 C ATOM 716 C ILE A 899 -12.370 -1.148 -3.968 1.00 0.00 C ATOM 717 O ILE A 899 -12.061 -0.260 -4.761 1.00 0.00 O ATOM 718 CB ILE A 899 -10.564 -0.794 -2.285 1.00 0.00 C ATOM 719 CG1 ILE A 899 -9.309 -1.382 -1.629 1.00 0.00 C ATOM 720 CG2 ILE A 899 -11.494 -0.248 -1.220 1.00 0.00 C ATOM 721 CD1 ILE A 899 -9.553 -2.456 -0.591 1.00 0.00 C ATOM 0 H ILE A 899 -9.786 -1.919 -4.565 1.00 0.00 H new ATOM 0 HA ILE A 899 -11.732 -2.575 -2.454 1.00 0.00 H new ATOM 0 HB ILE A 899 -10.248 0.013 -2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 899 -8.673 -1.796 -2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 899 -8.752 -0.570 -1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 899 -10.965 0.492 -0.619 1.00 0.00 H new ATOM 0 HG22 ILE A 899 -12.356 0.220 -1.695 1.00 0.00 H new ATOM 0 HG23 ILE A 899 -11.831 -1.062 -0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 899 -8.599 -2.801 -0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 899 -10.158 -2.049 0.219 1.00 0.00 H new ATOM 0 HD13 ILE A 899 -10.078 -3.293 -1.050 1.00 0.00 H new ATOM 733 N MET A 900 -13.597 -1.577 -3.819 1.00 0.00 N ATOM 734 CA MET A 900 -14.704 -1.031 -4.594 1.00 0.00 C ATOM 735 C MET A 900 -15.411 0.058 -3.804 1.00 0.00 C ATOM 736 O MET A 900 -16.090 0.923 -4.368 1.00 0.00 O ATOM 737 CB MET A 900 -15.709 -2.139 -4.935 1.00 0.00 C ATOM 738 CG MET A 900 -15.136 -3.317 -5.726 1.00 0.00 C ATOM 739 SD MET A 900 -14.530 -2.875 -7.373 1.00 0.00 S ATOM 740 CE MET A 900 -16.034 -2.252 -8.134 1.00 0.00 C ATOM 0 H MET A 900 -13.866 -2.310 -3.163 1.00 0.00 H new ATOM 0 HA MET A 900 -14.303 -0.608 -5.515 1.00 0.00 H new ATOM 0 HB2 MET A 900 -16.136 -2.519 -4.007 1.00 0.00 H new ATOM 0 HB3 MET A 900 -16.527 -1.702 -5.507 1.00 0.00 H new ATOM 0 HG2 MET A 900 -14.319 -3.760 -5.157 1.00 0.00 H new ATOM 0 HG3 MET A 900 -15.906 -4.082 -5.827 1.00 0.00 H new ATOM 0 HE1 MET A 900 -15.909 -2.224 -9.216 1.00 0.00 H new ATOM 0 HE2 MET A 900 -16.868 -2.907 -7.882 1.00 0.00 H new ATOM 0 HE3 MET A 900 -16.238 -1.247 -7.766 1.00 0.00 H new ATOM 750 N ALA A 901 -15.243 0.012 -2.506 1.00 0.00 N ATOM 751 CA ALA A 901 -15.876 0.917 -1.585 1.00 0.00 C ATOM 752 C ALA A 901 -15.159 0.760 -0.288 1.00 0.00 C ATOM 753 O ALA A 901 -14.441 -0.230 -0.138 1.00 0.00 O ATOM 754 CB ALA A 901 -17.347 0.552 -1.411 1.00 0.00 C ATOM 0 H ALA A 901 -14.645 -0.677 -2.050 1.00 0.00 H new ATOM 0 HA ALA A 901 -15.831 1.944 -1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 901 -17.814 1.245 -0.711 1.00 0.00 H new ATOM 0 HB2 ALA A 901 -17.853 0.613 -2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 901 -17.426 -0.463 -1.023 1.00 0.00 H new ATOM 760 N ALA A 902 -15.321 1.717 0.617 1.00 0.00 N ATOM 761 CA ALA A 902 -14.696 1.697 1.934 1.00 0.00 C ATOM 762 C ALA A 902 -14.839 0.321 2.602 1.00 0.00 C ATOM 763 O ALA A 902 -15.958 -0.122 2.903 1.00 0.00 O ATOM 764 CB ALA A 902 -15.294 2.782 2.820 1.00 0.00 C ATOM 0 H ALA A 902 -15.899 2.542 0.454 1.00 0.00 H new ATOM 0 HA ALA A 902 -13.632 1.894 1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -14.818 2.755 3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -15.128 3.757 2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -16.365 2.611 2.932 1.00 0.00 H new ATOM 770 N PRO A 903 -13.715 -0.400 2.758 1.00 0.00 N ATOM 771 CA PRO A 903 -13.701 -1.719 3.377 1.00 0.00 C ATOM 772 C PRO A 903 -14.105 -1.648 4.853 1.00 0.00 C ATOM 773 O PRO A 903 -14.072 -0.563 5.458 1.00 0.00 O ATOM 774 CB PRO A 903 -12.237 -2.177 3.226 1.00 0.00 C ATOM 775 CG PRO A 903 -11.462 -0.931 3.030 1.00 0.00 C ATOM 776 CD PRO A 903 -12.374 0.018 2.320 1.00 0.00 C ATOM 0 HA PRO A 903 -14.410 -2.405 2.915 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -11.899 -2.716 4.111 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -12.120 -2.852 2.378 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -11.139 -0.519 3.986 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -10.563 -1.120 2.444 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -12.167 1.053 2.593 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -12.265 -0.054 1.238 1.00 0.00 H new ATOM 845 N GLN A 908 -8.868 -6.323 8.781 1.00 0.00 N ATOM 846 CA GLN A 908 -7.469 -6.044 8.749 1.00 0.00 C ATOM 847 C GLN A 908 -7.042 -6.170 7.320 1.00 0.00 C ATOM 848 O GLN A 908 -7.429 -7.120 6.630 1.00 0.00 O ATOM 849 CB GLN A 908 -6.675 -7.003 9.622 1.00 0.00 C ATOM 850 CG GLN A 908 -7.112 -7.037 11.081 1.00 0.00 C ATOM 851 CD GLN A 908 -7.107 -5.667 11.733 1.00 0.00 C ATOM 852 OE1 GLN A 908 -8.116 -4.955 11.729 1.00 0.00 O ATOM 853 NE2 GLN A 908 -5.992 -5.282 12.277 1.00 0.00 N ATOM 0 HA GLN A 908 -7.279 -5.045 9.142 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -6.760 -8.007 9.207 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -5.621 -6.727 9.578 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -8.115 -7.460 11.145 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -6.450 -7.701 11.637 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -5.178 -5.897 12.262 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -5.930 -4.365 12.720 1.00 0.00 H new ATOM 862 N TRP A 909 -6.284 -5.251 6.870 1.00 0.00 N ATOM 863 CA TRP A 909 -5.907 -5.213 5.487 1.00 0.00 C ATOM 864 C TRP A 909 -4.417 -5.079 5.384 1.00 0.00 C ATOM 865 O TRP A 909 -3.794 -4.329 6.161 1.00 0.00 O ATOM 866 CB TRP A 909 -6.613 -4.043 4.776 1.00 0.00 C ATOM 867 CG TRP A 909 -6.410 -4.015 3.287 1.00 0.00 C ATOM 868 CD1 TRP A 909 -7.209 -4.586 2.345 1.00 0.00 C ATOM 869 CD2 TRP A 909 -5.340 -3.382 2.570 1.00 0.00 C ATOM 870 NE1 TRP A 909 -6.705 -4.351 1.094 1.00 0.00 N ATOM 871 CE2 TRP A 909 -5.555 -3.615 1.209 1.00 0.00 C ATOM 872 CE3 TRP A 909 -4.221 -2.645 2.950 1.00 0.00 C ATOM 873 CZ2 TRP A 909 -4.698 -3.135 0.234 1.00 0.00 C ATOM 874 CZ3 TRP A 909 -3.372 -2.174 1.976 1.00 0.00 C ATOM 875 CH2 TRP A 909 -3.612 -2.419 0.636 1.00 0.00 C ATOM 0 H TRP A 909 -5.899 -4.496 7.437 1.00 0.00 H new ATOM 0 HA TRP A 909 -6.213 -6.138 4.999 1.00 0.00 H new ATOM 0 HB2 TRP A 909 -7.681 -4.097 4.985 1.00 0.00 H new ATOM 0 HB3 TRP A 909 -6.253 -3.105 5.198 1.00 0.00 H new ATOM 0 HD1 TRP A 909 -8.110 -5.144 2.554 1.00 0.00 H new ATOM 0 HE1 TRP A 909 -7.118 -4.672 0.218 1.00 0.00 H new ATOM 0 HE3 TRP A 909 -4.023 -2.447 3.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 -4.885 -3.323 -0.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 -2.502 -1.602 2.263 1.00 0.00 H new ATOM 0 HH2 TRP A 909 -2.926 -2.036 -0.105 1.00 0.00 H new ATOM 886 N PHE A 910 -3.851 -5.796 4.457 1.00 0.00 N ATOM 887 CA PHE A 910 -2.440 -5.802 4.235 1.00 0.00 C ATOM 888 C PHE A 910 -2.213 -5.581 2.768 1.00 0.00 C ATOM 889 O PHE A 910 -3.051 -5.986 1.950 1.00 0.00 O ATOM 890 CB PHE A 910 -1.831 -7.145 4.685 1.00 0.00 C ATOM 891 CG PHE A 910 -2.109 -7.463 6.128 1.00 0.00 C ATOM 892 CD1 PHE A 910 -1.378 -6.857 7.134 1.00 0.00 C ATOM 893 CD2 PHE A 910 -3.122 -8.346 6.476 1.00 0.00 C ATOM 894 CE1 PHE A 910 -1.651 -7.123 8.460 1.00 0.00 C ATOM 895 CE2 PHE A 910 -3.395 -8.620 7.798 1.00 0.00 C ATOM 896 CZ PHE A 910 -2.661 -8.006 8.791 1.00 0.00 C ATOM 0 H PHE A 910 -4.370 -6.404 3.823 1.00 0.00 H new ATOM 0 HA PHE A 910 -1.957 -5.015 4.815 1.00 0.00 H new ATOM 0 HB2 PHE A 910 -2.228 -7.945 4.060 1.00 0.00 H new ATOM 0 HB3 PHE A 910 -0.753 -7.120 4.525 1.00 0.00 H new ATOM 0 HD1 PHE A 910 -0.586 -6.169 6.879 1.00 0.00 H new ATOM 0 HD2 PHE A 910 -3.703 -8.824 5.701 1.00 0.00 H new ATOM 0 HE1 PHE A 910 -1.076 -6.642 9.238 1.00 0.00 H new ATOM 0 HE2 PHE A 910 -4.182 -9.314 8.056 1.00 0.00 H new ATOM 0 HZ PHE A 910 -2.876 -8.216 9.828 1.00 0.00 H new ATOM 906 N CYS A 911 -1.128 -4.911 2.437 1.00 0.00 N ATOM 907 CA CYS A 911 -0.779 -4.615 1.068 1.00 0.00 C ATOM 908 C CYS A 911 -0.579 -5.908 0.278 1.00 0.00 C ATOM 909 O CYS A 911 -0.331 -6.956 0.877 1.00 0.00 O ATOM 910 CB CYS A 911 0.514 -3.784 1.062 1.00 0.00 C ATOM 911 SG CYS A 911 1.905 -4.544 1.949 1.00 0.00 S ATOM 0 H CYS A 911 -0.459 -4.554 3.120 1.00 0.00 H new ATOM 0 HA CYS A 911 -1.584 -4.052 0.596 1.00 0.00 H new ATOM 0 HB2 CYS A 911 0.812 -3.607 0.029 1.00 0.00 H new ATOM 0 HB3 CYS A 911 0.306 -2.810 1.505 1.00 0.00 H new ATOM 0 HG CYS A 911 1.661 -4.538 3.226 1.00 0.00 H new ATOM 916 N PRO A 912 -0.653 -5.863 -1.072 1.00 0.00 N ATOM 917 CA PRO A 912 -0.424 -7.035 -1.920 1.00 0.00 C ATOM 918 C PRO A 912 0.947 -7.684 -1.673 1.00 0.00 C ATOM 919 O PRO A 912 1.185 -8.818 -2.076 1.00 0.00 O ATOM 920 CB PRO A 912 -0.505 -6.484 -3.355 1.00 0.00 C ATOM 921 CG PRO A 912 -0.430 -5.010 -3.210 1.00 0.00 C ATOM 922 CD PRO A 912 -1.021 -4.694 -1.875 1.00 0.00 C ATOM 0 HA PRO A 912 -1.152 -7.820 -1.715 1.00 0.00 H new ATOM 0 HB2 PRO A 912 0.313 -6.861 -3.969 1.00 0.00 H new ATOM 0 HB3 PRO A 912 -1.433 -6.785 -3.841 1.00 0.00 H new ATOM 0 HG2 PRO A 912 0.602 -4.665 -3.271 1.00 0.00 H new ATOM 0 HG3 PRO A 912 -0.981 -4.511 -4.008 1.00 0.00 H new ATOM 0 HD2 PRO A 912 -0.612 -3.773 -1.459 1.00 0.00 H new ATOM 0 HD3 PRO A 912 -2.102 -4.566 -1.931 1.00 0.00 H new ATOM 930 N LYS A 913 1.838 -6.966 -1.000 1.00 0.00 N ATOM 931 CA LYS A 913 3.125 -7.498 -0.670 1.00 0.00 C ATOM 932 C LYS A 913 3.027 -8.364 0.596 1.00 0.00 C ATOM 933 O LYS A 913 3.449 -9.524 0.592 1.00 0.00 O ATOM 934 CB LYS A 913 4.183 -6.398 -0.524 1.00 0.00 C ATOM 935 CG LYS A 913 4.368 -5.532 -1.779 1.00 0.00 C ATOM 936 CD LYS A 913 5.848 -5.234 -2.051 1.00 0.00 C ATOM 937 CE LYS A 913 6.523 -4.451 -0.927 1.00 0.00 C ATOM 938 NZ LYS A 913 6.017 -3.073 -0.810 1.00 0.00 N ATOM 0 H LYS A 913 1.678 -6.012 -0.678 1.00 0.00 H new ATOM 0 HA LYS A 913 3.453 -8.129 -1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 913 3.908 -5.754 0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 913 5.138 -6.859 -0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 913 3.936 -6.042 -2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 913 3.825 -4.595 -1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 913 6.379 -6.174 -2.200 1.00 0.00 H new ATOM 0 HD3 LYS A 913 5.933 -4.670 -2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 913 6.367 -4.972 0.018 1.00 0.00 H new ATOM 0 HE3 LYS A 913 7.598 -4.425 -1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 6.446 -2.615 0.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 6.264 -2.539 -1.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 4.983 -3.091 -0.699 1.00 0.00 H new ATOM 952 N CYS A 914 2.432 -7.833 1.657 1.00 0.00 N ATOM 953 CA CYS A 914 2.246 -8.612 2.869 1.00 0.00 C ATOM 954 C CYS A 914 1.173 -9.691 2.691 1.00 0.00 C ATOM 955 O CYS A 914 1.276 -10.781 3.258 1.00 0.00 O ATOM 956 CB CYS A 914 1.969 -7.718 4.082 1.00 0.00 C ATOM 957 SG CYS A 914 3.380 -6.689 4.581 1.00 0.00 S ATOM 0 H CYS A 914 2.075 -6.879 1.701 1.00 0.00 H new ATOM 0 HA CYS A 914 3.185 -9.130 3.067 1.00 0.00 H new ATOM 0 HB2 CYS A 914 1.122 -7.070 3.857 1.00 0.00 H new ATOM 0 HB3 CYS A 914 1.675 -8.346 4.923 1.00 0.00 H new ATOM 0 HG CYS A 914 3.405 -5.608 3.859 1.00 0.00 H new ATOM 962 N ALA A 915 0.188 -9.406 1.861 1.00 0.00 N ATOM 963 CA ALA A 915 -0.862 -10.362 1.545 1.00 0.00 C ATOM 964 C ALA A 915 -0.278 -11.552 0.788 1.00 0.00 C ATOM 965 O ALA A 915 -0.820 -12.662 0.836 1.00 0.00 O ATOM 966 CB ALA A 915 -1.959 -9.697 0.725 1.00 0.00 C ATOM 0 H ALA A 915 0.091 -8.508 1.387 1.00 0.00 H new ATOM 0 HA ALA A 915 -1.300 -10.720 2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 915 -2.736 -10.427 0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 915 -2.390 -8.873 1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 915 -1.537 -9.314 -0.204 1.00 0.00 H new ATOM 972 N ASN A 916 0.834 -11.304 0.114 1.00 0.00 N ATOM 973 CA ASN A 916 1.564 -12.323 -0.630 1.00 0.00 C ATOM 974 C ASN A 916 2.346 -13.212 0.316 1.00 0.00 C ATOM 975 O ASN A 916 2.456 -14.410 0.110 1.00 0.00 O ATOM 976 CB ASN A 916 2.498 -11.663 -1.647 1.00 0.00 C ATOM 977 CG ASN A 916 3.377 -12.645 -2.382 1.00 0.00 C ATOM 978 OD1 ASN A 916 4.520 -12.911 -1.989 1.00 0.00 O ATOM 979 ND2 ASN A 916 2.844 -13.221 -3.408 1.00 0.00 N ATOM 0 H ASN A 916 1.261 -10.379 0.067 1.00 0.00 H new ATOM 0 HA ASN A 916 0.848 -12.945 -1.168 1.00 0.00 H new ATOM 0 HB2 ASN A 916 1.901 -11.109 -2.371 1.00 0.00 H new ATOM 0 HB3 ASN A 916 3.128 -10.938 -1.133 1.00 0.00 H new ATOM 0 HD21 ASN A 916 3.369 -13.925 -3.928 1.00 0.00 H new ATOM 0 HD22 ASN A 916 1.898 -12.972 -3.699 1.00 0.00 H new ATOM 986 N LYS A 917 2.884 -12.608 1.353 1.00 0.00 N ATOM 987 CA LYS A 917 3.611 -13.335 2.401 1.00 0.00 C ATOM 988 C LYS A 917 2.671 -14.342 3.047 1.00 0.00 C ATOM 989 O LYS A 917 3.032 -15.499 3.286 1.00 0.00 O ATOM 990 CB LYS A 917 4.093 -12.368 3.484 1.00 0.00 C ATOM 991 CG LYS A 917 5.003 -11.260 3.000 1.00 0.00 C ATOM 992 CD LYS A 917 5.225 -10.245 4.106 1.00 0.00 C ATOM 993 CE LYS A 917 6.045 -9.060 3.636 1.00 0.00 C ATOM 994 NZ LYS A 917 6.040 -7.973 4.633 1.00 0.00 N ATOM 0 H LYS A 917 2.836 -11.600 1.504 1.00 0.00 H new ATOM 0 HA LYS A 917 4.469 -13.835 1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 917 3.222 -11.919 3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 917 4.618 -12.938 4.251 1.00 0.00 H new ATOM 0 HG2 LYS A 917 5.958 -11.677 2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 917 4.563 -10.771 2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 917 4.261 -9.895 4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 917 5.731 -10.726 4.943 1.00 0.00 H new ATOM 0 HE2 LYS A 917 7.070 -9.377 3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 917 5.646 -8.691 2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 6.715 -7.236 4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 5.086 -7.564 4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 6.315 -8.352 5.561 1.00 0.00 H new ATOM 1008 N ILE A 918 1.458 -13.874 3.317 1.00 0.00 N ATOM 1009 CA ILE A 918 0.413 -14.673 3.920 1.00 0.00 C ATOM 1010 C ILE A 918 -0.075 -15.752 2.946 1.00 0.00 C ATOM 1011 O ILE A 918 -0.092 -16.946 3.278 1.00 0.00 O ATOM 1012 CB ILE A 918 -0.787 -13.775 4.344 1.00 0.00 C ATOM 1013 CG1 ILE A 918 -0.320 -12.684 5.320 1.00 0.00 C ATOM 1014 CG2 ILE A 918 -1.895 -14.616 4.973 1.00 0.00 C ATOM 1015 CD1 ILE A 918 -1.392 -11.673 5.681 1.00 0.00 C ATOM 0 H ILE A 918 1.175 -12.915 3.118 1.00 0.00 H new ATOM 0 HA ILE A 918 0.829 -15.155 4.805 1.00 0.00 H new ATOM 0 HB ILE A 918 -1.188 -13.294 3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 918 0.039 -13.159 6.233 1.00 0.00 H new ATOM 0 HG13 ILE A 918 0.527 -12.157 4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -2.723 -13.969 5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -2.246 -15.354 4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -1.508 -15.126 5.855 1.00 0.00 H new ATOM 0 HD11 ILE A 918 -0.981 -10.938 6.373 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -1.735 -11.168 4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 918 -2.231 -12.185 6.152 1.00 0.00 H new