USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=14 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 -165:sc= 1.77 USER MOD Set 1.2: A 888 CYS SG : rot 124:sc= 0.305 USER MOD Set 1.3: A 911 CYS SG : rot -82:sc= -1.31! USER MOD Set 1.4: A 914 CYS SG : rot 87:sc= -1.45! USER MOD Set 1.5: A 917 LYS NZ :NH3+ 179:sc= 1.2 (180deg=0.0354) USER MOD Set 2.1: A 870 CYS SG : rot 30:sc= 2.33 USER MOD Set 2.2: A 873 CYS SG : rot -70:sc= -0.185 USER MOD Set 2.3: A 880 SER OG : rot 8:sc= 0.859 USER MOD Set 2.4: A 893 HIS : no HE2:sc= -1.32 K(o=-2,f=-2.9) USER MOD Set 2.5: A 896 CYS SG : rot 176:sc= -3.65! USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -0.869! X(o=-0.87!,f=-1) USER MOD Single : A 866 GLN : amide:sc= -0.511 K(o=-0.51,f=-4.7!) USER MOD Single : A 874 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.051) USER MOD Single : A 875 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.13) USER MOD Single : A 882 MET CE :methyl -112:sc= -1.02 (180deg=-1.36) USER MOD Single : A 892 TYR OH : rot 180:sc= -0.806 USER MOD Single : A 900 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 908 GLN : amide:sc= -0.669 K(o=-0.67,f=0) USER MOD Single : A 913 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 916 ASN : amide:sc= -0.752 K(o=-0.75,f=0) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 857 10.051 5.315 -4.956 1.00 0.00 N ATOM 93 CA TYR A 857 8.622 5.554 -4.777 1.00 0.00 C ATOM 94 C TYR A 857 8.376 6.908 -4.120 1.00 0.00 C ATOM 95 O TYR A 857 7.329 7.156 -3.526 1.00 0.00 O ATOM 96 CB TYR A 857 7.943 4.426 -3.994 1.00 0.00 C ATOM 97 CG TYR A 857 8.008 3.083 -4.673 1.00 0.00 C ATOM 98 CD1 TYR A 857 7.035 2.699 -5.569 1.00 0.00 C ATOM 99 CD2 TYR A 857 9.036 2.204 -4.407 1.00 0.00 C ATOM 100 CE1 TYR A 857 7.075 1.478 -6.185 1.00 0.00 C ATOM 101 CE2 TYR A 857 9.094 0.975 -5.019 1.00 0.00 C ATOM 102 CZ TYR A 857 8.104 0.616 -5.910 1.00 0.00 C ATOM 103 OH TYR A 857 8.142 -0.608 -6.522 1.00 0.00 O ATOM 0 HA TYR A 857 8.169 5.569 -5.768 1.00 0.00 H new ATOM 0 HB2 TYR A 857 8.409 4.348 -3.012 1.00 0.00 H new ATOM 0 HB3 TYR A 857 6.898 4.689 -3.831 1.00 0.00 H new ATOM 0 HD1 TYR A 857 6.223 3.376 -5.790 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.808 2.486 -3.706 1.00 0.00 H new ATOM 0 HE1 TYR A 857 6.301 1.196 -6.883 1.00 0.00 H new ATOM 0 HE2 TYR A 857 9.907 0.297 -4.805 1.00 0.00 H new ATOM 0 HH TYR A 857 8.935 -1.100 -6.222 1.00 0.00 H new ATOM 113 N VAL A 858 9.324 7.800 -4.301 1.00 0.00 N ATOM 114 CA VAL A 858 9.277 9.109 -3.677 1.00 0.00 C ATOM 115 C VAL A 858 9.268 10.213 -4.713 1.00 0.00 C ATOM 116 O VAL A 858 10.181 10.323 -5.555 1.00 0.00 O ATOM 117 CB VAL A 858 10.471 9.356 -2.696 1.00 0.00 C ATOM 118 CG1 VAL A 858 10.348 10.711 -2.001 1.00 0.00 C ATOM 119 CG2 VAL A 858 10.590 8.250 -1.663 1.00 0.00 C ATOM 0 H VAL A 858 10.147 7.642 -4.882 1.00 0.00 H new ATOM 0 HA VAL A 858 8.350 9.127 -3.104 1.00 0.00 H new ATOM 0 HB VAL A 858 11.379 9.355 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 858 11.193 10.852 -1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 858 10.344 11.504 -2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 858 9.419 10.745 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 858 11.431 8.459 -1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 858 9.672 8.198 -1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 858 10.753 7.297 -2.167 1.00 0.00 H new ATOM 129 N ILE A 859 8.245 11.015 -4.663 1.00 0.00 N ATOM 130 CA ILE A 859 8.145 12.196 -5.483 1.00 0.00 C ATOM 131 C ILE A 859 7.871 13.334 -4.544 1.00 0.00 C ATOM 132 O ILE A 859 7.135 13.158 -3.577 1.00 0.00 O ATOM 133 CB ILE A 859 6.982 12.107 -6.519 1.00 0.00 C ATOM 134 CG1 ILE A 859 7.115 10.836 -7.360 1.00 0.00 C ATOM 135 CG2 ILE A 859 6.957 13.348 -7.423 1.00 0.00 C ATOM 136 CD1 ILE A 859 6.009 10.651 -8.381 1.00 0.00 C ATOM 0 H ILE A 859 7.446 10.870 -4.046 1.00 0.00 H new ATOM 0 HA ILE A 859 9.066 12.323 -6.052 1.00 0.00 H new ATOM 0 HB ILE A 859 6.040 12.067 -5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 859 8.074 10.855 -7.878 1.00 0.00 H new ATOM 0 HG13 ILE A 859 7.129 9.973 -6.695 1.00 0.00 H new ATOM 0 HG21 ILE A 859 6.137 13.262 -8.137 1.00 0.00 H new ATOM 0 HG22 ILE A 859 6.815 14.240 -6.813 1.00 0.00 H new ATOM 0 HG23 ILE A 859 7.901 13.424 -7.962 1.00 0.00 H new ATOM 0 HD11 ILE A 859 6.176 9.728 -8.935 1.00 0.00 H new ATOM 0 HD12 ILE A 859 5.047 10.598 -7.870 1.00 0.00 H new ATOM 0 HD13 ILE A 859 6.007 11.494 -9.072 1.00 0.00 H new ATOM 148 N ARG A 860 8.482 14.454 -4.757 1.00 0.00 N ATOM 149 CA ARG A 860 8.197 15.581 -3.933 1.00 0.00 C ATOM 150 C ARG A 860 7.225 16.524 -4.571 1.00 0.00 C ATOM 151 O ARG A 860 7.418 17.011 -5.695 1.00 0.00 O ATOM 152 CB ARG A 860 9.435 16.303 -3.413 1.00 0.00 C ATOM 153 CG ARG A 860 10.077 15.623 -2.221 1.00 0.00 C ATOM 154 CD ARG A 860 11.258 16.418 -1.708 1.00 0.00 C ATOM 155 NE ARG A 860 11.806 15.852 -0.469 1.00 0.00 N ATOM 156 CZ ARG A 860 13.086 15.946 -0.083 1.00 0.00 C ATOM 157 NH1 ARG A 860 13.983 16.555 -0.861 1.00 0.00 N ATOM 158 NH2 ARG A 860 13.469 15.428 1.079 1.00 0.00 N ATOM 0 H ARG A 860 9.176 14.612 -5.488 1.00 0.00 H new ATOM 0 HA ARG A 860 7.714 15.165 -3.049 1.00 0.00 H new ATOM 0 HB2 ARG A 860 10.167 16.376 -4.217 1.00 0.00 H new ATOM 0 HB3 ARG A 860 9.162 17.321 -3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 860 9.341 15.506 -1.426 1.00 0.00 H new ATOM 0 HG3 ARG A 860 10.404 14.622 -2.502 1.00 0.00 H new ATOM 0 HD2 ARG A 860 12.037 16.443 -2.470 1.00 0.00 H new ATOM 0 HD3 ARG A 860 10.952 17.449 -1.531 1.00 0.00 H new ATOM 0 HE ARG A 860 11.164 15.349 0.144 1.00 0.00 H new ATOM 0 HH11 ARG A 860 13.696 16.952 -1.755 1.00 0.00 H new ATOM 0 HH12 ARG A 860 14.956 16.623 -0.561 1.00 0.00 H new ATOM 0 HH21 ARG A 860 12.789 14.959 1.677 1.00 0.00 H new ATOM 0 HH22 ARG A 860 14.443 15.499 1.373 1.00 0.00 H new ATOM 172 N ASP A 861 6.162 16.720 -3.858 1.00 0.00 N ATOM 173 CA ASP A 861 5.110 17.657 -4.171 1.00 0.00 C ATOM 174 C ASP A 861 5.662 19.080 -4.138 1.00 0.00 C ATOM 175 O ASP A 861 6.795 19.316 -3.700 1.00 0.00 O ATOM 176 CB ASP A 861 4.012 17.465 -3.116 1.00 0.00 C ATOM 177 CG ASP A 861 2.905 18.481 -3.099 1.00 0.00 C ATOM 178 OD1 ASP A 861 1.954 18.383 -3.904 1.00 0.00 O ATOM 179 OD2 ASP A 861 2.967 19.386 -2.255 1.00 0.00 O ATOM 0 H ASP A 861 5.987 16.207 -2.994 1.00 0.00 H new ATOM 0 HA ASP A 861 4.706 17.487 -5.169 1.00 0.00 H new ATOM 0 HB2 ASP A 861 3.568 16.481 -3.263 1.00 0.00 H new ATOM 0 HB3 ASP A 861 4.483 17.459 -2.133 1.00 0.00 H new ATOM 184 N GLU A 862 4.851 20.009 -4.536 1.00 0.00 N ATOM 185 CA GLU A 862 5.214 21.409 -4.632 1.00 0.00 C ATOM 186 C GLU A 862 5.575 21.972 -3.262 1.00 0.00 C ATOM 187 O GLU A 862 6.379 22.900 -3.140 1.00 0.00 O ATOM 188 CB GLU A 862 4.055 22.201 -5.225 1.00 0.00 C ATOM 189 CG GLU A 862 3.557 21.663 -6.557 1.00 0.00 C ATOM 190 CD GLU A 862 4.627 21.639 -7.615 1.00 0.00 C ATOM 191 OE1 GLU A 862 4.815 22.660 -8.311 1.00 0.00 O ATOM 192 OE2 GLU A 862 5.299 20.596 -7.776 1.00 0.00 O ATOM 0 H GLU A 862 3.888 19.821 -4.814 1.00 0.00 H new ATOM 0 HA GLU A 862 6.086 21.496 -5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 862 3.229 22.204 -4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 862 4.366 23.237 -5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 862 3.171 20.654 -6.414 1.00 0.00 H new ATOM 0 HG3 GLU A 862 2.725 22.276 -6.903 1.00 0.00 H new ATOM 199 N TRP A 863 4.988 21.414 -2.231 1.00 0.00 N ATOM 200 CA TRP A 863 5.260 21.858 -0.891 1.00 0.00 C ATOM 201 C TRP A 863 6.287 20.959 -0.206 1.00 0.00 C ATOM 202 O TRP A 863 6.514 21.058 0.997 1.00 0.00 O ATOM 203 CB TRP A 863 3.970 21.935 -0.096 1.00 0.00 C ATOM 204 CG TRP A 863 2.952 22.786 -0.777 1.00 0.00 C ATOM 205 CD1 TRP A 863 1.834 22.359 -1.398 1.00 0.00 C ATOM 206 CD2 TRP A 863 2.990 24.205 -0.955 1.00 0.00 C ATOM 207 NE1 TRP A 863 1.158 23.423 -1.932 1.00 0.00 N ATOM 208 CE2 TRP A 863 1.845 24.565 -1.678 1.00 0.00 C ATOM 209 CE3 TRP A 863 3.875 25.197 -0.565 1.00 0.00 C ATOM 210 CZ2 TRP A 863 1.560 25.880 -2.022 1.00 0.00 C ATOM 211 CZ3 TRP A 863 3.598 26.505 -0.905 1.00 0.00 C ATOM 212 CH2 TRP A 863 2.448 26.836 -1.626 1.00 0.00 C ATOM 0 H TRP A 863 4.317 20.649 -2.298 1.00 0.00 H new ATOM 0 HA TRP A 863 5.693 22.857 -0.939 1.00 0.00 H new ATOM 0 HB2 TRP A 863 3.569 20.931 0.045 1.00 0.00 H new ATOM 0 HB3 TRP A 863 4.177 22.338 0.895 1.00 0.00 H new ATOM 0 HD1 TRP A 863 1.518 21.328 -1.464 1.00 0.00 H new ATOM 0 HE1 TRP A 863 0.276 23.366 -2.441 1.00 0.00 H new ATOM 0 HE3 TRP A 863 4.765 24.951 -0.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 0.671 26.135 -2.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 4.282 27.287 -0.609 1.00 0.00 H new ATOM 0 HH2 TRP A 863 2.259 27.870 -1.875 1.00 0.00 H new ATOM 223 N GLY A 864 6.910 20.089 -0.985 1.00 0.00 N ATOM 224 CA GLY A 864 7.945 19.214 -0.466 1.00 0.00 C ATOM 225 C GLY A 864 7.403 17.927 0.102 1.00 0.00 C ATOM 226 O GLY A 864 8.165 17.096 0.595 1.00 0.00 O ATOM 0 H GLY A 864 6.716 19.971 -1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 864 8.651 18.983 -1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 864 8.502 19.740 0.309 1.00 0.00 H new ATOM 230 N ASN A 865 6.090 17.752 0.023 1.00 0.00 N ATOM 231 CA ASN A 865 5.437 16.546 0.546 1.00 0.00 C ATOM 232 C ASN A 865 5.888 15.348 -0.252 1.00 0.00 C ATOM 233 O ASN A 865 5.997 15.429 -1.476 1.00 0.00 O ATOM 234 CB ASN A 865 3.885 16.622 0.459 1.00 0.00 C ATOM 235 CG ASN A 865 3.263 17.797 1.185 1.00 0.00 C ATOM 236 OD1 ASN A 865 3.033 17.738 2.388 1.00 0.00 O ATOM 237 ND2 ASN A 865 2.901 18.842 0.467 1.00 0.00 N ATOM 0 H ASN A 865 5.451 18.427 -0.397 1.00 0.00 H new ATOM 0 HA ASN A 865 5.719 16.461 1.595 1.00 0.00 H new ATOM 0 HB2 ASN A 865 3.596 16.668 -0.591 1.00 0.00 H new ATOM 0 HB3 ASN A 865 3.467 15.700 0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 865 2.419 19.624 0.911 1.00 0.00 H new ATOM 0 HD22 ASN A 865 3.103 18.869 -0.532 1.00 0.00 H new ATOM 244 N GLN A 866 6.169 14.261 0.402 1.00 0.00 N ATOM 245 CA GLN A 866 6.531 13.071 -0.305 1.00 0.00 C ATOM 246 C GLN A 866 5.303 12.346 -0.727 1.00 0.00 C ATOM 247 O GLN A 866 4.407 12.075 0.078 1.00 0.00 O ATOM 248 CB GLN A 866 7.459 12.142 0.467 1.00 0.00 C ATOM 249 CG GLN A 866 8.883 12.642 0.603 1.00 0.00 C ATOM 250 CD GLN A 866 9.057 13.796 1.575 1.00 0.00 C ATOM 251 OE1 GLN A 866 9.937 14.645 1.392 1.00 0.00 O ATOM 252 NE2 GLN A 866 8.271 13.814 2.628 1.00 0.00 N ATOM 0 H GLN A 866 6.155 14.174 1.418 1.00 0.00 H new ATOM 0 HA GLN A 866 7.101 13.394 -1.176 1.00 0.00 H new ATOM 0 HB2 GLN A 866 7.047 11.984 1.464 1.00 0.00 H new ATOM 0 HB3 GLN A 866 7.475 11.171 -0.029 1.00 0.00 H new ATOM 0 HG2 GLN A 866 9.516 11.815 0.925 1.00 0.00 H new ATOM 0 HG3 GLN A 866 9.240 12.954 -0.379 1.00 0.00 H new ATOM 0 HE21 GLN A 866 7.556 13.095 2.743 1.00 0.00 H new ATOM 0 HE22 GLN A 866 8.376 14.547 3.330 1.00 0.00 H new ATOM 261 N ILE A 867 5.254 12.068 -1.968 1.00 0.00 N ATOM 262 CA ILE A 867 4.136 11.412 -2.556 1.00 0.00 C ATOM 263 C ILE A 867 4.357 9.927 -2.540 1.00 0.00 C ATOM 264 O ILE A 867 5.413 9.438 -2.962 1.00 0.00 O ATOM 265 CB ILE A 867 3.897 11.860 -4.016 1.00 0.00 C ATOM 266 CG1 ILE A 867 3.678 13.382 -4.116 1.00 0.00 C ATOM 267 CG2 ILE A 867 2.698 11.118 -4.597 1.00 0.00 C ATOM 268 CD1 ILE A 867 2.448 13.876 -3.383 1.00 0.00 C ATOM 0 H ILE A 867 6.000 12.290 -2.627 1.00 0.00 H new ATOM 0 HA ILE A 867 3.258 11.681 -1.968 1.00 0.00 H new ATOM 0 HB ILE A 867 4.790 11.616 -4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 867 4.555 13.892 -3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 867 3.598 13.659 -5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 867 2.535 11.439 -5.626 1.00 0.00 H new ATOM 0 HG22 ILE A 867 2.890 10.045 -4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 867 1.811 11.339 -4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 867 2.364 14.956 -3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 867 1.561 13.396 -3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 867 2.533 13.632 -2.324 1.00 0.00 H new ATOM 280 N TRP A 868 3.382 9.238 -2.046 1.00 0.00 N ATOM 281 CA TRP A 868 3.370 7.811 -2.005 1.00 0.00 C ATOM 282 C TRP A 868 3.027 7.232 -3.372 1.00 0.00 C ATOM 283 O TRP A 868 2.245 7.826 -4.139 1.00 0.00 O ATOM 284 CB TRP A 868 2.389 7.318 -0.936 1.00 0.00 C ATOM 285 CG TRP A 868 1.065 8.041 -0.897 1.00 0.00 C ATOM 286 CD1 TRP A 868 -0.083 7.657 -1.489 1.00 0.00 C ATOM 287 CD2 TRP A 868 0.767 9.277 -0.219 1.00 0.00 C ATOM 288 NE1 TRP A 868 -1.082 8.562 -1.231 1.00 0.00 N ATOM 289 CE2 TRP A 868 -0.587 9.567 -0.457 1.00 0.00 C ATOM 290 CE3 TRP A 868 1.514 10.159 0.558 1.00 0.00 C ATOM 291 CZ2 TRP A 868 -1.207 10.703 0.054 1.00 0.00 C ATOM 292 CZ3 TRP A 868 0.902 11.285 1.068 1.00 0.00 C ATOM 293 CH2 TRP A 868 -0.446 11.547 0.814 1.00 0.00 C ATOM 0 H TRP A 868 2.546 9.665 -1.647 1.00 0.00 H new ATOM 0 HA TRP A 868 4.368 7.464 -1.739 1.00 0.00 H new ATOM 0 HB2 TRP A 868 2.201 6.257 -1.100 1.00 0.00 H new ATOM 0 HB3 TRP A 868 2.864 7.410 0.041 1.00 0.00 H new ATOM 0 HD1 TRP A 868 -0.200 6.763 -2.083 1.00 0.00 H new ATOM 0 HE1 TRP A 868 -2.043 8.493 -1.566 1.00 0.00 H new ATOM 0 HE3 TRP A 868 2.557 9.964 0.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 -2.249 10.910 -0.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 1.473 11.974 1.672 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -0.898 12.437 1.227 1.00 0.00 H new ATOM 304 N ILE A 869 3.618 6.100 -3.673 1.00 0.00 N ATOM 305 CA ILE A 869 3.433 5.431 -4.942 1.00 0.00 C ATOM 306 C ILE A 869 3.085 3.964 -4.735 1.00 0.00 C ATOM 307 O ILE A 869 3.788 3.247 -4.026 1.00 0.00 O ATOM 308 CB ILE A 869 4.697 5.556 -5.858 1.00 0.00 C ATOM 309 CG1 ILE A 869 4.949 7.021 -6.228 1.00 0.00 C ATOM 310 CG2 ILE A 869 4.566 4.702 -7.115 1.00 0.00 C ATOM 311 CD1 ILE A 869 6.114 7.244 -7.162 1.00 0.00 C ATOM 0 H ILE A 869 4.248 5.611 -3.037 1.00 0.00 H new ATOM 0 HA ILE A 869 2.603 5.926 -5.445 1.00 0.00 H new ATOM 0 HB ILE A 869 5.552 5.184 -5.294 1.00 0.00 H new ATOM 0 HG12 ILE A 869 4.048 7.425 -6.690 1.00 0.00 H new ATOM 0 HG13 ILE A 869 5.120 7.588 -5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 869 5.462 4.814 -7.726 1.00 0.00 H new ATOM 0 HG22 ILE A 869 4.448 3.656 -6.833 1.00 0.00 H new ATOM 0 HG23 ILE A 869 3.695 5.025 -7.685 1.00 0.00 H new ATOM 0 HD11 ILE A 869 6.216 8.309 -7.368 1.00 0.00 H new ATOM 0 HD12 ILE A 869 7.028 6.875 -6.698 1.00 0.00 H new ATOM 0 HD13 ILE A 869 5.939 6.709 -8.096 1.00 0.00 H new ATOM 323 N CYS A 870 2.012 3.553 -5.371 1.00 0.00 N ATOM 324 CA CYS A 870 1.508 2.227 -5.351 1.00 0.00 C ATOM 325 C CYS A 870 2.429 1.342 -6.179 1.00 0.00 C ATOM 326 O CYS A 870 2.606 1.571 -7.383 1.00 0.00 O ATOM 327 CB CYS A 870 0.097 2.272 -5.978 1.00 0.00 C ATOM 328 SG CYS A 870 -0.784 0.700 -6.209 1.00 0.00 S ATOM 0 H CYS A 870 1.447 4.181 -5.943 1.00 0.00 H new ATOM 0 HA CYS A 870 1.459 1.825 -4.339 1.00 0.00 H new ATOM 0 HB2 CYS A 870 -0.525 2.915 -5.355 1.00 0.00 H new ATOM 0 HB3 CYS A 870 0.179 2.755 -6.952 1.00 0.00 H new ATOM 0 HG CYS A 870 -0.417 -0.143 -5.290 1.00 0.00 H new ATOM 333 N PRO A 871 3.064 0.347 -5.559 1.00 0.00 N ATOM 334 CA PRO A 871 3.911 -0.605 -6.267 1.00 0.00 C ATOM 335 C PRO A 871 3.115 -1.527 -7.209 1.00 0.00 C ATOM 336 O PRO A 871 3.692 -2.390 -7.878 1.00 0.00 O ATOM 337 CB PRO A 871 4.571 -1.434 -5.154 1.00 0.00 C ATOM 338 CG PRO A 871 4.311 -0.690 -3.888 1.00 0.00 C ATOM 339 CD PRO A 871 3.062 0.115 -4.108 1.00 0.00 C ATOM 0 HA PRO A 871 4.625 -0.086 -6.906 1.00 0.00 H new ATOM 0 HB2 PRO A 871 4.149 -2.438 -5.112 1.00 0.00 H new ATOM 0 HB3 PRO A 871 5.641 -1.545 -5.330 1.00 0.00 H new ATOM 0 HG2 PRO A 871 4.185 -1.379 -3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.151 -0.041 -3.641 1.00 0.00 H new ATOM 0 HD2 PRO A 871 2.172 -0.427 -3.788 1.00 0.00 H new ATOM 0 HD3 PRO A 871 3.083 1.051 -3.550 1.00 0.00 H new ATOM 347 N GLY A 872 1.804 -1.368 -7.245 1.00 0.00 N ATOM 348 CA GLY A 872 0.993 -2.174 -8.115 1.00 0.00 C ATOM 349 C GLY A 872 1.099 -1.719 -9.553 1.00 0.00 C ATOM 350 O GLY A 872 1.336 -2.523 -10.453 1.00 0.00 O ATOM 0 H GLY A 872 1.289 -0.691 -6.683 1.00 0.00 H new ATOM 0 HA2 GLY A 872 1.302 -3.217 -8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 872 -0.047 -2.125 -7.793 1.00 0.00 H new ATOM 354 N CYS A 873 0.963 -0.435 -9.761 1.00 0.00 N ATOM 355 CA CYS A 873 0.969 0.147 -11.086 1.00 0.00 C ATOM 356 C CYS A 873 2.194 1.030 -11.303 1.00 0.00 C ATOM 357 O CYS A 873 2.542 1.351 -12.450 1.00 0.00 O ATOM 358 CB CYS A 873 -0.255 0.997 -11.154 1.00 0.00 C ATOM 359 SG CYS A 873 -0.386 2.035 -9.691 1.00 0.00 S ATOM 0 H CYS A 873 0.844 0.246 -9.011 1.00 0.00 H new ATOM 0 HA CYS A 873 0.992 -0.633 -11.847 1.00 0.00 H new ATOM 0 HB2 CYS A 873 -0.222 1.621 -12.047 1.00 0.00 H new ATOM 0 HB3 CYS A 873 -1.139 0.365 -11.239 1.00 0.00 H new ATOM 0 HG CYS A 873 -0.664 1.296 -8.658 1.00 0.00 H new ATOM 364 N ASN A 874 2.802 1.440 -10.183 1.00 0.00 N ATOM 365 CA ASN A 874 3.955 2.354 -10.122 1.00 0.00 C ATOM 366 C ASN A 874 3.457 3.811 -10.254 1.00 0.00 C ATOM 367 O ASN A 874 4.212 4.749 -10.542 1.00 0.00 O ATOM 368 CB ASN A 874 5.074 1.977 -11.146 1.00 0.00 C ATOM 369 CG ASN A 874 6.406 2.693 -10.915 1.00 0.00 C ATOM 370 OD1 ASN A 874 7.232 2.233 -10.112 1.00 0.00 O ATOM 371 ND2 ASN A 874 6.661 3.753 -11.643 1.00 0.00 N ATOM 0 H ASN A 874 2.495 1.135 -9.259 1.00 0.00 H new ATOM 0 HA ASN A 874 4.439 2.253 -9.150 1.00 0.00 H new ATOM 0 HB2 ASN A 874 5.241 0.901 -11.104 1.00 0.00 H new ATOM 0 HB3 ASN A 874 4.722 2.206 -12.152 1.00 0.00 H new ATOM 0 HD21 ASN A 874 7.561 4.225 -11.558 1.00 0.00 H new ATOM 0 HD22 ASN A 874 5.959 4.105 -12.294 1.00 0.00 H new ATOM 378 N LYS A 875 2.171 4.005 -9.983 1.00 0.00 N ATOM 379 CA LYS A 875 1.588 5.331 -9.990 1.00 0.00 C ATOM 380 C LYS A 875 1.498 5.920 -8.588 1.00 0.00 C ATOM 381 O LYS A 875 1.167 5.221 -7.621 1.00 0.00 O ATOM 382 CB LYS A 875 0.190 5.361 -10.598 1.00 0.00 C ATOM 383 CG LYS A 875 0.112 5.184 -12.101 1.00 0.00 C ATOM 384 CD LYS A 875 -1.346 5.110 -12.568 1.00 0.00 C ATOM 385 CE LYS A 875 -2.177 6.349 -12.173 1.00 0.00 C ATOM 386 NZ LYS A 875 -1.706 7.601 -12.814 1.00 0.00 N ATOM 0 H LYS A 875 1.516 3.257 -9.756 1.00 0.00 H new ATOM 0 HA LYS A 875 2.260 5.928 -10.607 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -0.405 4.577 -10.129 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -0.276 6.312 -10.340 1.00 0.00 H new ATOM 0 HG2 LYS A 875 0.615 6.015 -12.596 1.00 0.00 H new ATOM 0 HG3 LYS A 875 0.638 4.275 -12.392 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -1.368 4.997 -13.652 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -1.811 4.219 -12.145 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -3.219 6.180 -12.444 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -2.145 6.469 -11.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -2.335 8.385 -12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -0.738 7.811 -12.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -1.714 7.486 -13.848 1.00 0.00 H new ATOM 400 N PRO A 876 1.810 7.208 -8.468 1.00 0.00 N ATOM 401 CA PRO A 876 1.638 7.962 -7.233 1.00 0.00 C ATOM 402 C PRO A 876 0.173 8.256 -6.990 1.00 0.00 C ATOM 403 O PRO A 876 -0.692 7.913 -7.827 1.00 0.00 O ATOM 404 CB PRO A 876 2.370 9.282 -7.510 1.00 0.00 C ATOM 405 CG PRO A 876 2.386 9.422 -8.986 1.00 0.00 C ATOM 406 CD PRO A 876 2.388 8.033 -9.543 1.00 0.00 C ATOM 0 HA PRO A 876 2.012 7.423 -6.362 1.00 0.00 H new ATOM 0 HB2 PRO A 876 1.857 10.122 -7.041 1.00 0.00 H new ATOM 0 HB3 PRO A 876 3.382 9.262 -7.106 1.00 0.00 H new ATOM 0 HG2 PRO A 876 1.515 9.978 -9.333 1.00 0.00 H new ATOM 0 HG3 PRO A 876 3.267 9.973 -9.314 1.00 0.00 H new ATOM 0 HD2 PRO A 876 1.795 7.970 -10.455 1.00 0.00 H new ATOM 0 HD3 PRO A 876 3.397 7.707 -9.795 1.00 0.00 H new ATOM 414 N ASP A 877 -0.127 8.831 -5.844 1.00 0.00 N ATOM 415 CA ASP A 877 -1.474 9.303 -5.593 1.00 0.00 C ATOM 416 C ASP A 877 -1.847 10.333 -6.635 1.00 0.00 C ATOM 417 O ASP A 877 -1.208 11.388 -6.757 1.00 0.00 O ATOM 418 CB ASP A 877 -1.646 9.897 -4.208 1.00 0.00 C ATOM 419 CG ASP A 877 -3.014 10.529 -4.065 1.00 0.00 C ATOM 420 OD1 ASP A 877 -4.037 9.811 -4.054 1.00 0.00 O ATOM 421 OD2 ASP A 877 -3.097 11.756 -4.021 1.00 0.00 O ATOM 0 H ASP A 877 0.533 8.982 -5.081 1.00 0.00 H new ATOM 0 HA ASP A 877 -2.134 8.437 -5.652 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -1.518 9.120 -3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -0.874 10.645 -4.029 1.00 0.00 H new ATOM 426 N ASP A 878 -2.871 10.042 -7.359 1.00 0.00 N ATOM 427 CA ASP A 878 -3.287 10.849 -8.486 1.00 0.00 C ATOM 428 C ASP A 878 -4.517 11.647 -8.041 1.00 0.00 C ATOM 429 O ASP A 878 -5.323 12.109 -8.856 1.00 0.00 O ATOM 430 CB ASP A 878 -3.668 9.876 -9.633 1.00 0.00 C ATOM 431 CG ASP A 878 -3.563 10.463 -11.033 1.00 0.00 C ATOM 432 OD1 ASP A 878 -3.999 11.583 -11.274 1.00 0.00 O ATOM 433 OD2 ASP A 878 -2.986 9.796 -11.930 1.00 0.00 O ATOM 0 H ASP A 878 -3.462 9.227 -7.194 1.00 0.00 H new ATOM 0 HA ASP A 878 -2.506 11.530 -8.825 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -3.025 8.998 -9.574 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -4.690 9.533 -9.474 1.00 0.00 H new ATOM 438 N GLY A 879 -4.626 11.840 -6.731 1.00 0.00 N ATOM 439 CA GLY A 879 -5.825 12.390 -6.159 1.00 0.00 C ATOM 440 C GLY A 879 -6.814 11.277 -6.152 1.00 0.00 C ATOM 441 O GLY A 879 -7.939 11.395 -6.647 1.00 0.00 O ATOM 0 H GLY A 879 -3.894 11.621 -6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -5.644 12.759 -5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -6.188 13.233 -6.747 1.00 0.00 H new ATOM 445 N SER A 880 -6.375 10.184 -5.604 1.00 0.00 N ATOM 446 CA SER A 880 -7.048 8.942 -5.750 1.00 0.00 C ATOM 447 C SER A 880 -7.369 8.277 -4.408 1.00 0.00 C ATOM 448 O SER A 880 -6.779 8.617 -3.379 1.00 0.00 O ATOM 449 CB SER A 880 -6.137 8.057 -6.607 1.00 0.00 C ATOM 450 OG SER A 880 -4.764 8.139 -6.161 1.00 0.00 O ATOM 0 H SER A 880 -5.528 10.136 -5.037 1.00 0.00 H new ATOM 0 HA SER A 880 -8.017 9.097 -6.224 1.00 0.00 H new ATOM 0 HB2 SER A 880 -6.478 7.023 -6.557 1.00 0.00 H new ATOM 0 HB3 SER A 880 -6.203 8.365 -7.651 1.00 0.00 H new ATOM 0 HG SER A 880 -4.722 8.645 -5.323 1.00 0.00 H new ATOM 456 N PRO A 881 -8.343 7.352 -4.389 1.00 0.00 N ATOM 457 CA PRO A 881 -8.647 6.588 -3.206 1.00 0.00 C ATOM 458 C PRO A 881 -7.602 5.490 -3.024 1.00 0.00 C ATOM 459 O PRO A 881 -7.505 4.529 -3.826 1.00 0.00 O ATOM 460 CB PRO A 881 -10.035 6.004 -3.484 1.00 0.00 C ATOM 461 CG PRO A 881 -10.135 5.924 -4.970 1.00 0.00 C ATOM 462 CD PRO A 881 -9.225 6.991 -5.526 1.00 0.00 C ATOM 0 HA PRO A 881 -8.636 7.179 -2.290 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -10.147 5.020 -3.028 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -10.819 6.638 -3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -9.836 4.938 -5.325 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -11.162 6.083 -5.297 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -8.649 6.620 -6.374 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -9.792 7.853 -5.879 1.00 0.00 H new ATOM 470 N MET A 882 -6.768 5.665 -2.052 1.00 0.00 N ATOM 471 CA MET A 882 -5.730 4.723 -1.803 1.00 0.00 C ATOM 472 C MET A 882 -5.929 4.091 -0.462 1.00 0.00 C ATOM 473 O MET A 882 -6.722 4.572 0.348 1.00 0.00 O ATOM 474 CB MET A 882 -4.339 5.366 -1.931 1.00 0.00 C ATOM 475 CG MET A 882 -4.089 5.966 -3.306 1.00 0.00 C ATOM 476 SD MET A 882 -2.410 6.565 -3.559 1.00 0.00 S ATOM 477 CE MET A 882 -1.461 5.041 -3.532 1.00 0.00 C ATOM 0 H MET A 882 -6.787 6.460 -1.413 1.00 0.00 H new ATOM 0 HA MET A 882 -5.780 3.942 -2.562 1.00 0.00 H new ATOM 0 HB2 MET A 882 -4.233 6.145 -1.176 1.00 0.00 H new ATOM 0 HB3 MET A 882 -3.577 4.615 -1.724 1.00 0.00 H new ATOM 0 HG2 MET A 882 -4.312 5.215 -4.063 1.00 0.00 H new ATOM 0 HG3 MET A 882 -4.784 6.791 -3.461 1.00 0.00 H new ATOM 0 HE1 MET A 882 -0.834 5.019 -2.641 1.00 0.00 H new ATOM 0 HE2 MET A 882 -2.141 4.189 -3.519 1.00 0.00 H new ATOM 0 HE3 MET A 882 -0.831 4.989 -4.420 1.00 0.00 H new ATOM 487 N ILE A 883 -5.260 3.025 -0.233 1.00 0.00 N ATOM 488 CA ILE A 883 -5.379 2.316 0.985 1.00 0.00 C ATOM 489 C ILE A 883 -3.994 1.967 1.510 1.00 0.00 C ATOM 490 O ILE A 883 -3.110 1.575 0.739 1.00 0.00 O ATOM 491 CB ILE A 883 -6.279 1.056 0.808 1.00 0.00 C ATOM 492 CG1 ILE A 883 -6.447 0.324 2.136 1.00 0.00 C ATOM 493 CG2 ILE A 883 -5.757 0.133 -0.299 1.00 0.00 C ATOM 494 CD1 ILE A 883 -7.533 -0.711 2.127 1.00 0.00 C ATOM 0 H ILE A 883 -4.604 2.613 -0.896 1.00 0.00 H new ATOM 0 HA ILE A 883 -5.869 2.947 1.726 1.00 0.00 H new ATOM 0 HB ILE A 883 -7.266 1.390 0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 883 -5.504 -0.156 2.397 1.00 0.00 H new ATOM 0 HG13 ILE A 883 -6.660 1.054 2.917 1.00 0.00 H new ATOM 0 HG21 ILE A 883 -6.413 -0.733 -0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 883 -5.737 0.674 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 883 -4.749 -0.200 -0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 883 -7.590 -1.187 3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 883 -8.487 -0.236 1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 883 -7.312 -1.464 1.370 1.00 0.00 H new ATOM 506 N GLY A 884 -3.791 2.185 2.782 1.00 0.00 N ATOM 507 CA GLY A 884 -2.530 1.903 3.390 1.00 0.00 C ATOM 508 C GLY A 884 -2.549 0.558 4.049 1.00 0.00 C ATOM 509 O GLY A 884 -3.623 0.062 4.427 1.00 0.00 O ATOM 0 H GLY A 884 -4.494 2.561 3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 884 -1.743 1.933 2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 884 -2.296 2.671 4.127 1.00 0.00 H new ATOM 513 N CYS A 885 -1.402 -0.033 4.184 1.00 0.00 N ATOM 514 CA CYS A 885 -1.287 -1.327 4.790 1.00 0.00 C ATOM 515 C CYS A 885 -1.307 -1.202 6.312 1.00 0.00 C ATOM 516 O CYS A 885 -1.207 -0.100 6.872 1.00 0.00 O ATOM 517 CB CYS A 885 0.022 -1.992 4.318 1.00 0.00 C ATOM 518 SG CYS A 885 0.375 -3.667 4.959 1.00 0.00 S ATOM 0 H CYS A 885 -0.516 0.368 3.877 1.00 0.00 H new ATOM 0 HA CYS A 885 -2.132 -1.946 4.490 1.00 0.00 H new ATOM 0 HB2 CYS A 885 0.004 -2.042 3.229 1.00 0.00 H new ATOM 0 HB3 CYS A 885 0.852 -1.341 4.593 1.00 0.00 H new ATOM 0 HG CYS A 885 1.622 -3.961 4.741 1.00 0.00 H new ATOM 523 N ASP A 886 -1.457 -2.318 6.962 1.00 0.00 N ATOM 524 CA ASP A 886 -1.393 -2.371 8.400 1.00 0.00 C ATOM 525 C ASP A 886 0.034 -2.692 8.815 1.00 0.00 C ATOM 526 O ASP A 886 0.530 -2.209 9.839 1.00 0.00 O ATOM 527 CB ASP A 886 -2.362 -3.419 8.964 1.00 0.00 C ATOM 528 CG ASP A 886 -2.305 -3.507 10.473 1.00 0.00 C ATOM 529 OD1 ASP A 886 -2.820 -2.600 11.154 1.00 0.00 O ATOM 530 OD2 ASP A 886 -1.748 -4.490 11.017 1.00 0.00 O ATOM 0 H ASP A 886 -1.627 -3.219 6.515 1.00 0.00 H new ATOM 0 HA ASP A 886 -1.690 -1.403 8.804 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -3.378 -3.173 8.656 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -2.127 -4.394 8.537 1.00 0.00 H new ATOM 535 N ASP A 887 0.714 -3.454 7.983 1.00 0.00 N ATOM 536 CA ASP A 887 2.087 -3.873 8.263 1.00 0.00 C ATOM 537 C ASP A 887 3.059 -2.879 7.668 1.00 0.00 C ATOM 538 O ASP A 887 4.099 -2.567 8.258 1.00 0.00 O ATOM 539 CB ASP A 887 2.363 -5.274 7.710 1.00 0.00 C ATOM 540 CG ASP A 887 3.789 -5.743 7.966 1.00 0.00 C ATOM 541 OD1 ASP A 887 4.091 -6.185 9.099 1.00 0.00 O ATOM 542 OD2 ASP A 887 4.646 -5.688 7.049 1.00 0.00 O ATOM 0 H ASP A 887 0.342 -3.802 7.099 1.00 0.00 H new ATOM 0 HA ASP A 887 2.219 -3.906 9.344 1.00 0.00 H new ATOM 0 HB2 ASP A 887 1.667 -5.981 8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 887 2.171 -5.280 6.637 1.00 0.00 H new ATOM 547 N CYS A 888 2.714 -2.365 6.517 1.00 0.00 N ATOM 548 CA CYS A 888 3.517 -1.372 5.875 1.00 0.00 C ATOM 549 C CYS A 888 2.943 -0.003 6.188 1.00 0.00 C ATOM 550 O CYS A 888 1.851 0.111 6.730 1.00 0.00 O ATOM 551 CB CYS A 888 3.543 -1.596 4.350 1.00 0.00 C ATOM 552 SG CYS A 888 4.041 -3.261 3.839 1.00 0.00 S ATOM 0 H CYS A 888 1.871 -2.625 6.004 1.00 0.00 H new ATOM 0 HA CYS A 888 4.540 -1.441 6.245 1.00 0.00 H new ATOM 0 HB2 CYS A 888 2.551 -1.389 3.949 1.00 0.00 H new ATOM 0 HB3 CYS A 888 4.225 -0.874 3.902 1.00 0.00 H new ATOM 0 HG CYS A 888 3.118 -3.777 3.082 1.00 0.00 H new ATOM 557 N ASP A 889 3.677 1.008 5.881 1.00 0.00 N ATOM 558 CA ASP A 889 3.210 2.378 6.052 1.00 0.00 C ATOM 559 C ASP A 889 2.958 2.944 4.677 1.00 0.00 C ATOM 560 O ASP A 889 2.706 4.139 4.503 1.00 0.00 O ATOM 561 CB ASP A 889 4.262 3.238 6.792 1.00 0.00 C ATOM 562 CG ASP A 889 5.553 3.434 6.010 1.00 0.00 C ATOM 563 OD1 ASP A 889 6.376 2.484 5.952 1.00 0.00 O ATOM 564 OD2 ASP A 889 5.784 4.539 5.465 1.00 0.00 O ATOM 0 H ASP A 889 4.621 0.930 5.503 1.00 0.00 H new ATOM 0 HA ASP A 889 2.301 2.388 6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 889 3.830 4.214 7.013 1.00 0.00 H new ATOM 0 HB3 ASP A 889 4.494 2.769 7.748 1.00 0.00 H new ATOM 569 N ASP A 890 2.984 2.056 3.706 1.00 0.00 N ATOM 570 CA ASP A 890 2.895 2.424 2.315 1.00 0.00 C ATOM 571 C ASP A 890 1.451 2.348 1.839 1.00 0.00 C ATOM 572 O ASP A 890 0.577 1.869 2.579 1.00 0.00 O ATOM 573 CB ASP A 890 3.770 1.504 1.486 1.00 0.00 C ATOM 574 CG ASP A 890 4.427 2.235 0.359 1.00 0.00 C ATOM 575 OD1 ASP A 890 3.753 2.659 -0.576 1.00 0.00 O ATOM 576 OD2 ASP A 890 5.650 2.411 0.402 1.00 0.00 O ATOM 0 H ASP A 890 3.068 1.052 3.864 1.00 0.00 H new ATOM 0 HA ASP A 890 3.243 3.450 2.196 1.00 0.00 H new ATOM 0 HB2 ASP A 890 4.533 1.055 2.123 1.00 0.00 H new ATOM 0 HB3 ASP A 890 3.166 0.688 1.088 1.00 0.00 H new ATOM 581 N TRP A 891 1.210 2.757 0.606 1.00 0.00 N ATOM 582 CA TRP A 891 -0.141 2.886 0.086 1.00 0.00 C ATOM 583 C TRP A 891 -0.292 2.236 -1.286 1.00 0.00 C ATOM 584 O TRP A 891 0.587 2.334 -2.133 1.00 0.00 O ATOM 585 CB TRP A 891 -0.542 4.377 -0.028 1.00 0.00 C ATOM 586 CG TRP A 891 -0.648 5.133 1.271 1.00 0.00 C ATOM 587 CD1 TRP A 891 0.376 5.582 2.056 1.00 0.00 C ATOM 588 CD2 TRP A 891 -1.855 5.572 1.908 1.00 0.00 C ATOM 589 NE1 TRP A 891 -0.123 6.235 3.154 1.00 0.00 N ATOM 590 CE2 TRP A 891 -1.486 6.247 3.086 1.00 0.00 C ATOM 591 CE3 TRP A 891 -3.211 5.448 1.602 1.00 0.00 C ATOM 592 CZ2 TRP A 891 -2.424 6.797 3.953 1.00 0.00 C ATOM 593 CZ3 TRP A 891 -4.142 5.996 2.462 1.00 0.00 C ATOM 594 CH2 TRP A 891 -3.744 6.662 3.626 1.00 0.00 C ATOM 0 H TRP A 891 1.940 3.008 -0.060 1.00 0.00 H new ATOM 0 HA TRP A 891 -0.796 2.373 0.790 1.00 0.00 H new ATOM 0 HB2 TRP A 891 0.188 4.882 -0.661 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -1.503 4.436 -0.540 1.00 0.00 H new ATOM 0 HD1 TRP A 891 1.426 5.443 1.843 1.00 0.00 H new ATOM 0 HE1 TRP A 891 0.435 6.646 3.902 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -3.527 4.932 0.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -2.120 7.312 4.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -5.194 5.909 2.232 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -4.496 7.078 4.280 1.00 0.00 H new ATOM 605 N TYR A 892 -1.415 1.585 -1.477 1.00 0.00 N ATOM 606 CA TYR A 892 -1.821 1.004 -2.755 1.00 0.00 C ATOM 607 C TYR A 892 -3.115 1.657 -3.183 1.00 0.00 C ATOM 608 O TYR A 892 -3.825 2.205 -2.349 1.00 0.00 O ATOM 609 CB TYR A 892 -2.056 -0.504 -2.627 1.00 0.00 C ATOM 610 CG TYR A 892 -0.859 -1.378 -2.911 1.00 0.00 C ATOM 611 CD1 TYR A 892 0.075 -1.686 -1.935 1.00 0.00 C ATOM 612 CD2 TYR A 892 -0.685 -1.914 -4.172 1.00 0.00 C ATOM 613 CE1 TYR A 892 1.153 -2.505 -2.222 1.00 0.00 C ATOM 614 CE2 TYR A 892 0.374 -2.728 -4.463 1.00 0.00 C ATOM 615 CZ TYR A 892 1.290 -3.022 -3.493 1.00 0.00 C ATOM 616 OH TYR A 892 2.341 -3.840 -3.788 1.00 0.00 O ATOM 0 H TYR A 892 -2.097 1.435 -0.733 1.00 0.00 H new ATOM 0 HA TYR A 892 -1.029 1.172 -3.485 1.00 0.00 H new ATOM 0 HB2 TYR A 892 -2.405 -0.714 -1.616 1.00 0.00 H new ATOM 0 HB3 TYR A 892 -2.859 -0.787 -3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 892 -0.039 -1.283 -0.940 1.00 0.00 H new ATOM 0 HD2 TYR A 892 -1.402 -1.685 -4.946 1.00 0.00 H new ATOM 0 HE1 TYR A 892 1.880 -2.737 -1.458 1.00 0.00 H new ATOM 0 HE2 TYR A 892 0.486 -3.137 -5.456 1.00 0.00 H new ATOM 0 HH TYR A 892 2.287 -4.117 -4.727 1.00 0.00 H new ATOM 626 N HIS A 893 -3.434 1.623 -4.448 1.00 0.00 N ATOM 627 CA HIS A 893 -4.715 2.187 -4.899 1.00 0.00 C ATOM 628 C HIS A 893 -5.818 1.176 -4.738 1.00 0.00 C ATOM 629 O HIS A 893 -5.578 -0.023 -4.847 1.00 0.00 O ATOM 630 CB HIS A 893 -4.689 2.631 -6.366 1.00 0.00 C ATOM 631 CG HIS A 893 -3.809 3.784 -6.674 1.00 0.00 C ATOM 632 ND1 HIS A 893 -2.550 3.597 -7.145 1.00 0.00 N ATOM 633 CD2 HIS A 893 -4.062 5.100 -6.597 1.00 0.00 C ATOM 634 CE1 HIS A 893 -2.049 4.821 -7.345 1.00 0.00 C ATOM 635 NE2 HIS A 893 -2.934 5.749 -7.027 1.00 0.00 N ATOM 0 H HIS A 893 -2.852 1.224 -5.185 1.00 0.00 H new ATOM 0 HA HIS A 893 -4.893 3.064 -4.277 1.00 0.00 H new ATOM 0 HB2 HIS A 893 -4.375 1.785 -6.977 1.00 0.00 H new ATOM 0 HB3 HIS A 893 -5.706 2.883 -6.668 1.00 0.00 H new ATOM 0 HD1 HIS A 893 -2.082 2.706 -7.312 1.00 0.00 H new ATOM 0 HD2 HIS A 893 -4.979 5.560 -6.260 1.00 0.00 H new ATOM 0 HE1 HIS A 893 -1.055 5.023 -7.716 1.00 0.00 H new ATOM 643 N TRP A 894 -7.021 1.658 -4.487 1.00 0.00 N ATOM 644 CA TRP A 894 -8.204 0.803 -4.382 1.00 0.00 C ATOM 645 C TRP A 894 -8.396 -0.123 -5.608 1.00 0.00 C ATOM 646 O TRP A 894 -8.467 -1.343 -5.438 1.00 0.00 O ATOM 647 CB TRP A 894 -9.472 1.618 -4.111 1.00 0.00 C ATOM 648 CG TRP A 894 -9.645 2.062 -2.696 1.00 0.00 C ATOM 649 CD1 TRP A 894 -8.738 2.003 -1.678 1.00 0.00 C ATOM 650 CD2 TRP A 894 -10.826 2.623 -2.143 1.00 0.00 C ATOM 651 NE1 TRP A 894 -9.300 2.487 -0.523 1.00 0.00 N ATOM 652 CE2 TRP A 894 -10.576 2.878 -0.785 1.00 0.00 C ATOM 653 CE3 TRP A 894 -12.075 2.933 -2.671 1.00 0.00 C ATOM 654 CZ2 TRP A 894 -11.529 3.428 0.049 1.00 0.00 C ATOM 655 CZ3 TRP A 894 -13.022 3.479 -1.841 1.00 0.00 C ATOM 656 CH2 TRP A 894 -12.741 3.721 -0.497 1.00 0.00 C ATOM 0 H TRP A 894 -7.213 2.650 -4.349 1.00 0.00 H new ATOM 0 HA TRP A 894 -8.025 0.155 -3.524 1.00 0.00 H new ATOM 0 HB2 TRP A 894 -9.465 2.498 -4.754 1.00 0.00 H new ATOM 0 HB3 TRP A 894 -10.338 1.021 -4.397 1.00 0.00 H new ATOM 0 HD1 TRP A 894 -7.728 1.631 -1.768 1.00 0.00 H new ATOM 0 HE1 TRP A 894 -8.836 2.544 0.384 1.00 0.00 H new ATOM 0 HE3 TRP A 894 -12.295 2.748 -3.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 -11.321 3.618 1.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 -13.998 3.724 -2.234 1.00 0.00 H new ATOM 0 HH2 TRP A 894 -13.507 4.154 0.129 1.00 0.00 H new ATOM 667 N PRO A 895 -8.443 0.414 -6.870 1.00 0.00 N ATOM 668 CA PRO A 895 -8.622 -0.418 -8.073 1.00 0.00 C ATOM 669 C PRO A 895 -7.479 -1.420 -8.299 1.00 0.00 C ATOM 670 O PRO A 895 -7.629 -2.380 -9.046 1.00 0.00 O ATOM 671 CB PRO A 895 -8.669 0.599 -9.222 1.00 0.00 C ATOM 672 CG PRO A 895 -8.001 1.808 -8.676 1.00 0.00 C ATOM 673 CD PRO A 895 -8.386 1.849 -7.236 1.00 0.00 C ATOM 0 HA PRO A 895 -9.517 -1.035 -7.988 1.00 0.00 H new ATOM 0 HB2 PRO A 895 -8.152 0.224 -10.105 1.00 0.00 H new ATOM 0 HB3 PRO A 895 -9.695 0.813 -9.521 1.00 0.00 H new ATOM 0 HG2 PRO A 895 -6.919 1.747 -8.793 1.00 0.00 H new ATOM 0 HG3 PRO A 895 -8.328 2.708 -9.197 1.00 0.00 H new ATOM 0 HD2 PRO A 895 -7.654 2.390 -6.637 1.00 0.00 H new ATOM 0 HD3 PRO A 895 -9.347 2.343 -7.088 1.00 0.00 H new ATOM 681 N CYS A 896 -6.361 -1.211 -7.640 1.00 0.00 N ATOM 682 CA CYS A 896 -5.229 -2.081 -7.793 1.00 0.00 C ATOM 683 C CYS A 896 -5.386 -3.334 -6.933 1.00 0.00 C ATOM 684 O CYS A 896 -4.885 -4.417 -7.278 1.00 0.00 O ATOM 685 CB CYS A 896 -3.971 -1.310 -7.417 1.00 0.00 C ATOM 686 SG CYS A 896 -3.686 0.160 -8.450 1.00 0.00 S ATOM 0 H CYS A 896 -6.217 -0.439 -6.990 1.00 0.00 H new ATOM 0 HA CYS A 896 -5.156 -2.411 -8.829 1.00 0.00 H new ATOM 0 HB2 CYS A 896 -4.041 -1.003 -6.373 1.00 0.00 H new ATOM 0 HB3 CYS A 896 -3.110 -1.973 -7.497 1.00 0.00 H new ATOM 0 HG CYS A 896 -2.647 0.805 -8.009 1.00 0.00 H new ATOM 691 N VAL A 897 -6.125 -3.194 -5.857 1.00 0.00 N ATOM 692 CA VAL A 897 -6.312 -4.261 -4.899 1.00 0.00 C ATOM 693 C VAL A 897 -7.770 -4.709 -4.853 1.00 0.00 C ATOM 694 O VAL A 897 -8.200 -5.417 -3.927 1.00 0.00 O ATOM 695 CB VAL A 897 -5.804 -3.847 -3.494 1.00 0.00 C ATOM 696 CG1 VAL A 897 -4.291 -3.688 -3.524 1.00 0.00 C ATOM 697 CG2 VAL A 897 -6.437 -2.538 -3.065 1.00 0.00 C ATOM 0 H VAL A 897 -6.616 -2.332 -5.620 1.00 0.00 H new ATOM 0 HA VAL A 897 -5.715 -5.112 -5.227 1.00 0.00 H new ATOM 0 HB VAL A 897 -6.080 -4.624 -2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 897 -3.936 -3.397 -2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 897 -3.831 -4.634 -3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 897 -4.020 -2.919 -4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 897 -6.069 -2.263 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 897 -6.177 -1.757 -3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 897 -7.520 -2.652 -3.030 1.00 0.00 H new ATOM 707 N GLY A 898 -8.514 -4.284 -5.861 1.00 0.00 N ATOM 708 CA GLY A 898 -9.883 -4.703 -6.045 1.00 0.00 C ATOM 709 C GLY A 898 -10.848 -4.128 -5.036 1.00 0.00 C ATOM 710 O GLY A 898 -11.806 -4.796 -4.638 1.00 0.00 O ATOM 0 H GLY A 898 -8.179 -3.636 -6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 898 -10.207 -4.416 -7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 898 -9.928 -5.791 -5.995 1.00 0.00 H new ATOM 714 N ILE A 899 -10.620 -2.911 -4.628 1.00 0.00 N ATOM 715 CA ILE A 899 -11.478 -2.278 -3.659 1.00 0.00 C ATOM 716 C ILE A 899 -12.367 -1.242 -4.315 1.00 0.00 C ATOM 717 O ILE A 899 -11.900 -0.361 -5.048 1.00 0.00 O ATOM 718 CB ILE A 899 -10.675 -1.676 -2.481 1.00 0.00 C ATOM 719 CG1 ILE A 899 -10.011 -2.811 -1.695 1.00 0.00 C ATOM 720 CG2 ILE A 899 -11.562 -0.828 -1.561 1.00 0.00 C ATOM 721 CD1 ILE A 899 -9.224 -2.348 -0.508 1.00 0.00 C ATOM 0 H ILE A 899 -9.844 -2.333 -4.952 1.00 0.00 H new ATOM 0 HA ILE A 899 -12.121 -3.051 -3.239 1.00 0.00 H new ATOM 0 HB ILE A 899 -9.911 -1.012 -2.886 1.00 0.00 H new ATOM 0 HG12 ILE A 899 -10.781 -3.506 -1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 899 -9.351 -3.364 -2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 899 -10.960 -0.424 -0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 899 -11.999 -0.008 -2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 899 -12.358 -1.449 -1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 899 -8.785 -3.209 -0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 899 -8.431 -1.677 -0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 899 -9.883 -1.821 0.182 1.00 0.00 H new ATOM 733 N MET A 900 -13.641 -1.372 -4.063 1.00 0.00 N ATOM 734 CA MET A 900 -14.642 -0.495 -4.624 1.00 0.00 C ATOM 735 C MET A 900 -15.144 0.473 -3.567 1.00 0.00 C ATOM 736 O MET A 900 -15.595 1.567 -3.885 1.00 0.00 O ATOM 737 CB MET A 900 -15.836 -1.302 -5.155 1.00 0.00 C ATOM 738 CG MET A 900 -15.512 -2.329 -6.236 1.00 0.00 C ATOM 739 SD MET A 900 -14.810 -1.605 -7.736 1.00 0.00 S ATOM 740 CE MET A 900 -14.740 -3.055 -8.785 1.00 0.00 C ATOM 0 H MET A 900 -14.022 -2.098 -3.455 1.00 0.00 H new ATOM 0 HA MET A 900 -14.181 0.055 -5.444 1.00 0.00 H new ATOM 0 HB2 MET A 900 -16.303 -1.819 -4.317 1.00 0.00 H new ATOM 0 HB3 MET A 900 -16.575 -0.605 -5.551 1.00 0.00 H new ATOM 0 HG2 MET A 900 -14.811 -3.059 -5.833 1.00 0.00 H new ATOM 0 HG3 MET A 900 -16.422 -2.870 -6.495 1.00 0.00 H new ATOM 0 HE1 MET A 900 -14.328 -2.782 -9.756 1.00 0.00 H new ATOM 0 HE2 MET A 900 -14.105 -3.810 -8.321 1.00 0.00 H new ATOM 0 HE3 MET A 900 -15.744 -3.457 -8.917 1.00 0.00 H new ATOM 750 N ALA A 901 -15.037 0.080 -2.307 1.00 0.00 N ATOM 751 CA ALA A 901 -15.557 0.863 -1.218 1.00 0.00 C ATOM 752 C ALA A 901 -14.753 0.561 0.002 1.00 0.00 C ATOM 753 O ALA A 901 -14.175 -0.531 0.088 1.00 0.00 O ATOM 754 CB ALA A 901 -17.016 0.529 -0.973 1.00 0.00 C ATOM 0 H ALA A 901 -14.587 -0.789 -2.020 1.00 0.00 H new ATOM 0 HA ALA A 901 -15.489 1.923 -1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 901 -17.393 1.130 -0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 901 -17.594 0.744 -1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 901 -17.111 -0.528 -0.725 1.00 0.00 H new ATOM 760 N ALA A 902 -14.720 1.510 0.929 1.00 0.00 N ATOM 761 CA ALA A 902 -13.943 1.422 2.154 1.00 0.00 C ATOM 762 C ALA A 902 -14.167 0.110 2.888 1.00 0.00 C ATOM 763 O ALA A 902 -15.283 -0.173 3.351 1.00 0.00 O ATOM 764 CB ALA A 902 -14.263 2.580 3.071 1.00 0.00 C ATOM 0 H ALA A 902 -15.245 2.381 0.846 1.00 0.00 H new ATOM 0 HA ALA A 902 -12.893 1.465 1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -13.671 2.496 3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -14.026 3.518 2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -15.323 2.562 3.324 1.00 0.00 H new ATOM 770 N PRO A 903 -13.124 -0.729 2.949 1.00 0.00 N ATOM 771 CA PRO A 903 -13.171 -1.997 3.649 1.00 0.00 C ATOM 772 C PRO A 903 -13.442 -1.822 5.145 1.00 0.00 C ATOM 773 O PRO A 903 -13.100 -0.772 5.739 1.00 0.00 O ATOM 774 CB PRO A 903 -11.783 -2.615 3.417 1.00 0.00 C ATOM 775 CG PRO A 903 -10.922 -1.485 2.987 1.00 0.00 C ATOM 776 CD PRO A 903 -11.825 -0.516 2.290 1.00 0.00 C ATOM 0 HA PRO A 903 -13.982 -2.625 3.281 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -11.401 -3.078 4.327 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -11.821 -3.394 2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -10.436 -1.018 3.843 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -10.131 -1.829 2.320 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -11.479 0.511 2.406 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -11.879 -0.715 1.220 1.00 0.00 H new ATOM 845 N GLN A 908 -8.404 -6.167 9.427 1.00 0.00 N ATOM 846 CA GLN A 908 -7.115 -5.606 9.119 1.00 0.00 C ATOM 847 C GLN A 908 -6.856 -5.821 7.643 1.00 0.00 C ATOM 848 O GLN A 908 -7.286 -6.826 7.076 1.00 0.00 O ATOM 849 CB GLN A 908 -6.016 -6.270 9.954 1.00 0.00 C ATOM 850 CG GLN A 908 -6.231 -6.158 11.457 1.00 0.00 C ATOM 851 CD GLN A 908 -5.144 -6.830 12.280 1.00 0.00 C ATOM 852 OE1 GLN A 908 -5.406 -7.334 13.370 1.00 0.00 O ATOM 853 NE2 GLN A 908 -3.923 -6.820 11.800 1.00 0.00 N ATOM 0 HA GLN A 908 -7.107 -4.542 9.357 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -5.954 -7.324 9.683 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -5.057 -5.819 9.699 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -6.283 -5.104 11.730 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -7.194 -6.601 11.712 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -3.735 -6.394 10.892 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -3.161 -7.238 12.335 1.00 0.00 H new ATOM 862 N TRP A 909 -6.184 -4.914 7.026 1.00 0.00 N ATOM 863 CA TRP A 909 -5.947 -5.014 5.611 1.00 0.00 C ATOM 864 C TRP A 909 -4.468 -5.114 5.347 1.00 0.00 C ATOM 865 O TRP A 909 -3.658 -4.466 6.026 1.00 0.00 O ATOM 866 CB TRP A 909 -6.565 -3.826 4.862 1.00 0.00 C ATOM 867 CG TRP A 909 -6.442 -3.929 3.366 1.00 0.00 C ATOM 868 CD1 TRP A 909 -7.305 -4.557 2.515 1.00 0.00 C ATOM 869 CD2 TRP A 909 -5.392 -3.392 2.549 1.00 0.00 C ATOM 870 NE1 TRP A 909 -6.855 -4.441 1.221 1.00 0.00 N ATOM 871 CE2 TRP A 909 -5.684 -3.727 1.221 1.00 0.00 C ATOM 872 CE3 TRP A 909 -4.237 -2.660 2.819 1.00 0.00 C ATOM 873 CZ2 TRP A 909 -4.863 -3.351 0.169 1.00 0.00 C ATOM 874 CZ3 TRP A 909 -3.422 -2.288 1.772 1.00 0.00 C ATOM 875 CH2 TRP A 909 -3.740 -2.635 0.462 1.00 0.00 C ATOM 0 H TRP A 909 -5.784 -4.088 7.471 1.00 0.00 H new ATOM 0 HA TRP A 909 -6.429 -5.918 5.239 1.00 0.00 H new ATOM 0 HB2 TRP A 909 -7.619 -3.748 5.127 1.00 0.00 H new ATOM 0 HB3 TRP A 909 -6.084 -2.907 5.196 1.00 0.00 H new ATOM 0 HD1 TRP A 909 -8.208 -5.069 2.814 1.00 0.00 H new ATOM 0 HE1 TRP A 909 -7.317 -4.823 0.396 1.00 0.00 H new ATOM 0 HE3 TRP A 909 -3.985 -2.388 3.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 -5.105 -3.617 -0.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 -2.525 -1.720 1.970 1.00 0.00 H new ATOM 0 HH2 TRP A 909 -3.083 -2.331 -0.340 1.00 0.00 H new ATOM 886 N PHE A 910 -4.119 -5.927 4.385 1.00 0.00 N ATOM 887 CA PHE A 910 -2.752 -6.151 4.025 1.00 0.00 C ATOM 888 C PHE A 910 -2.632 -6.045 2.523 1.00 0.00 C ATOM 889 O PHE A 910 -3.515 -6.526 1.789 1.00 0.00 O ATOM 890 CB PHE A 910 -2.292 -7.538 4.515 1.00 0.00 C ATOM 891 CG PHE A 910 -2.506 -7.740 5.994 1.00 0.00 C ATOM 892 CD1 PHE A 910 -1.726 -7.066 6.918 1.00 0.00 C ATOM 893 CD2 PHE A 910 -3.520 -8.567 6.454 1.00 0.00 C ATOM 894 CE1 PHE A 910 -1.948 -7.216 8.267 1.00 0.00 C ATOM 895 CE2 PHE A 910 -3.749 -8.716 7.804 1.00 0.00 C ATOM 896 CZ PHE A 910 -2.961 -8.040 8.712 1.00 0.00 C ATOM 0 H PHE A 910 -4.787 -6.457 3.825 1.00 0.00 H new ATOM 0 HA PHE A 910 -2.112 -5.405 4.496 1.00 0.00 H new ATOM 0 HB2 PHE A 910 -2.833 -8.309 3.966 1.00 0.00 H new ATOM 0 HB3 PHE A 910 -1.234 -7.666 4.285 1.00 0.00 H new ATOM 0 HD1 PHE A 910 -0.935 -6.415 6.576 1.00 0.00 H new ATOM 0 HD2 PHE A 910 -4.137 -9.100 5.746 1.00 0.00 H new ATOM 0 HE1 PHE A 910 -1.329 -6.689 8.978 1.00 0.00 H new ATOM 0 HE2 PHE A 910 -4.543 -9.360 8.151 1.00 0.00 H new ATOM 0 HZ PHE A 910 -3.137 -8.156 9.771 1.00 0.00 H new ATOM 906 N CYS A 911 -1.587 -5.389 2.079 1.00 0.00 N ATOM 907 CA CYS A 911 -1.297 -5.184 0.678 1.00 0.00 C ATOM 908 C CYS A 911 -0.959 -6.517 0.011 1.00 0.00 C ATOM 909 O CYS A 911 -0.684 -7.478 0.702 1.00 0.00 O ATOM 910 CB CYS A 911 -0.081 -4.257 0.615 1.00 0.00 C ATOM 911 SG CYS A 911 1.341 -4.857 1.576 1.00 0.00 S ATOM 0 H CYS A 911 -0.894 -4.970 2.700 1.00 0.00 H new ATOM 0 HA CYS A 911 -2.155 -4.754 0.160 1.00 0.00 H new ATOM 0 HB2 CYS A 911 0.219 -4.136 -0.426 1.00 0.00 H new ATOM 0 HB3 CYS A 911 -0.367 -3.271 0.981 1.00 0.00 H new ATOM 0 HG CYS A 911 1.190 -4.530 2.825 1.00 0.00 H new ATOM 916 N PRO A 912 -0.956 -6.596 -1.341 1.00 0.00 N ATOM 917 CA PRO A 912 -0.520 -7.804 -2.065 1.00 0.00 C ATOM 918 C PRO A 912 0.918 -8.230 -1.673 1.00 0.00 C ATOM 919 O PRO A 912 1.316 -9.381 -1.868 1.00 0.00 O ATOM 920 CB PRO A 912 -0.579 -7.401 -3.548 1.00 0.00 C ATOM 921 CG PRO A 912 -0.803 -5.924 -3.560 1.00 0.00 C ATOM 922 CD PRO A 912 -1.448 -5.568 -2.258 1.00 0.00 C ATOM 0 HA PRO A 912 -1.151 -8.661 -1.831 1.00 0.00 H new ATOM 0 HB2 PRO A 912 0.347 -7.660 -4.061 1.00 0.00 H new ATOM 0 HB3 PRO A 912 -1.385 -7.923 -4.063 1.00 0.00 H new ATOM 0 HG2 PRO A 912 0.141 -5.392 -3.681 1.00 0.00 H new ATOM 0 HG3 PRO A 912 -1.440 -5.637 -4.397 1.00 0.00 H new ATOM 0 HD2 PRO A 912 -1.164 -4.568 -1.930 1.00 0.00 H new ATOM 0 HD3 PRO A 912 -2.535 -5.583 -2.331 1.00 0.00 H new ATOM 930 N LYS A 913 1.669 -7.295 -1.092 1.00 0.00 N ATOM 931 CA LYS A 913 3.011 -7.553 -0.603 1.00 0.00 C ATOM 932 C LYS A 913 2.931 -8.360 0.687 1.00 0.00 C ATOM 933 O LYS A 913 3.596 -9.395 0.837 1.00 0.00 O ATOM 934 CB LYS A 913 3.768 -6.229 -0.389 1.00 0.00 C ATOM 935 CG LYS A 913 4.005 -5.456 -1.678 1.00 0.00 C ATOM 936 CD LYS A 913 4.982 -6.194 -2.571 1.00 0.00 C ATOM 937 CE LYS A 913 5.183 -5.482 -3.881 1.00 0.00 C ATOM 938 NZ LYS A 913 6.094 -6.223 -4.764 1.00 0.00 N ATOM 0 H LYS A 913 1.356 -6.335 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 913 3.564 -8.132 -1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 913 3.204 -5.604 0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 913 4.728 -6.440 0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 913 3.060 -5.315 -2.203 1.00 0.00 H new ATOM 0 HG3 LYS A 913 4.393 -4.464 -1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 913 5.939 -6.293 -2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 913 4.614 -7.203 -2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 913 4.221 -5.352 -4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 913 5.584 -4.485 -3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 6.210 -5.704 -5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 7.019 -6.326 -4.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 5.698 -7.165 -4.960 1.00 0.00 H new ATOM 952 N CYS A 914 2.096 -7.922 1.603 1.00 0.00 N ATOM 953 CA CYS A 914 1.882 -8.657 2.821 1.00 0.00 C ATOM 954 C CYS A 914 0.999 -9.857 2.612 1.00 0.00 C ATOM 955 O CYS A 914 1.168 -10.860 3.269 1.00 0.00 O ATOM 956 CB CYS A 914 1.390 -7.767 3.941 1.00 0.00 C ATOM 957 SG CYS A 914 2.663 -6.666 4.576 1.00 0.00 S ATOM 0 H CYS A 914 1.556 -7.060 1.524 1.00 0.00 H new ATOM 0 HA CYS A 914 2.853 -9.041 3.133 1.00 0.00 H new ATOM 0 HB2 CYS A 914 0.549 -7.173 3.583 1.00 0.00 H new ATOM 0 HB3 CYS A 914 1.017 -8.389 4.755 1.00 0.00 H new ATOM 0 HG CYS A 914 2.689 -5.577 3.866 1.00 0.00 H new ATOM 962 N ALA A 915 0.111 -9.776 1.666 1.00 0.00 N ATOM 963 CA ALA A 915 -0.742 -10.882 1.328 1.00 0.00 C ATOM 964 C ALA A 915 0.040 -11.973 0.618 1.00 0.00 C ATOM 965 O ALA A 915 -0.465 -13.058 0.401 1.00 0.00 O ATOM 966 CB ALA A 915 -1.930 -10.437 0.514 1.00 0.00 C ATOM 0 H ALA A 915 -0.045 -8.939 1.104 1.00 0.00 H new ATOM 0 HA ALA A 915 -1.128 -11.299 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 915 -2.552 -11.300 0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 915 -2.513 -9.715 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 915 -1.585 -9.974 -0.410 1.00 0.00 H new ATOM 972 N ASN A 916 1.262 -11.664 0.223 1.00 0.00 N ATOM 973 CA ASN A 916 2.161 -12.671 -0.313 1.00 0.00 C ATOM 974 C ASN A 916 2.789 -13.421 0.866 1.00 0.00 C ATOM 975 O ASN A 916 3.131 -14.595 0.767 1.00 0.00 O ATOM 976 CB ASN A 916 3.265 -12.036 -1.175 1.00 0.00 C ATOM 977 CG ASN A 916 4.147 -13.058 -1.897 1.00 0.00 C ATOM 978 OD1 ASN A 916 5.340 -12.842 -2.081 1.00 0.00 O ATOM 979 ND2 ASN A 916 3.563 -14.131 -2.375 1.00 0.00 N ATOM 0 H ASN A 916 1.655 -10.724 0.263 1.00 0.00 H new ATOM 0 HA ASN A 916 1.599 -13.352 -0.952 1.00 0.00 H new ATOM 0 HB2 ASN A 916 2.805 -11.380 -1.914 1.00 0.00 H new ATOM 0 HB3 ASN A 916 3.894 -11.410 -0.541 1.00 0.00 H new ATOM 0 HD21 ASN A 916 4.103 -14.808 -2.914 1.00 0.00 H new ATOM 0 HD22 ASN A 916 2.569 -14.288 -2.208 1.00 0.00 H new ATOM 986 N LYS A 917 2.932 -12.716 1.986 1.00 0.00 N ATOM 987 CA LYS A 917 3.442 -13.287 3.222 1.00 0.00 C ATOM 988 C LYS A 917 2.321 -14.051 3.948 1.00 0.00 C ATOM 989 O LYS A 917 2.563 -15.080 4.579 1.00 0.00 O ATOM 990 CB LYS A 917 4.024 -12.181 4.125 1.00 0.00 C ATOM 991 CG LYS A 917 5.217 -11.436 3.513 1.00 0.00 C ATOM 992 CD LYS A 917 5.753 -10.327 4.432 1.00 0.00 C ATOM 993 CE LYS A 917 4.772 -9.175 4.537 1.00 0.00 C ATOM 994 NZ LYS A 917 5.194 -8.095 5.460 1.00 0.00 N ATOM 0 H LYS A 917 2.695 -11.727 2.058 1.00 0.00 H new ATOM 0 HA LYS A 917 4.243 -13.987 2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 917 3.238 -11.461 4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 917 4.333 -12.625 5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 917 6.016 -12.147 3.303 1.00 0.00 H new ATOM 0 HG3 LYS A 917 4.919 -11.001 2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 917 5.945 -10.735 5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 917 6.706 -9.962 4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 917 4.621 -8.750 3.545 1.00 0.00 H new ATOM 0 HE3 LYS A 917 3.808 -9.563 4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 4.479 -7.340 5.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 5.294 -8.479 6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 6.106 -7.707 5.146 1.00 0.00 H new ATOM 1008 N ILE A 918 1.106 -13.524 3.876 1.00 0.00 N ATOM 1009 CA ILE A 918 -0.067 -14.199 4.420 1.00 0.00 C ATOM 1010 C ILE A 918 -0.380 -15.384 3.514 1.00 0.00 C ATOM 1011 O ILE A 918 -0.179 -16.543 3.885 1.00 0.00 O ATOM 1012 CB ILE A 918 -1.323 -13.259 4.432 1.00 0.00 C ATOM 1013 CG1 ILE A 918 -1.037 -11.918 5.133 1.00 0.00 C ATOM 1014 CG2 ILE A 918 -2.529 -13.954 5.070 1.00 0.00 C ATOM 1015 CD1 ILE A 918 -0.645 -12.022 6.586 1.00 0.00 C ATOM 0 H ILE A 918 0.905 -12.623 3.442 1.00 0.00 H new ATOM 0 HA ILE A 918 0.148 -14.503 5.444 1.00 0.00 H new ATOM 0 HB ILE A 918 -1.562 -13.040 3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 918 -0.239 -11.408 4.594 1.00 0.00 H new ATOM 0 HG13 ILE A 918 -1.925 -11.290 5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -3.384 -13.278 5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -2.773 -14.853 4.503 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -2.290 -14.227 6.098 1.00 0.00 H new ATOM 0 HD11 ILE A 918 -0.465 -11.024 6.987 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -1.449 -12.499 7.147 1.00 0.00 H new ATOM 0 HD13 ILE A 918 0.263 -12.618 6.676 1.00 0.00 H new