USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 870 CYS SG : rot -157:sc= 0.183 USER MOD Set 1.2: A 873 CYS SG : rot -69:sc= -1.47! USER MOD Set 1.3: A 880 SER OG : rot 22:sc= 0.612 USER MOD Set 1.4: A 893 HIS : no HE2:sc= -0.954 K(o=-5,f=-7.8!) USER MOD Set 1.5: A 896 CYS SG : rot -151:sc= -3.39! USER MOD Set 2.1: A 885 CYS SG : rot -174:sc= 1.83! USER MOD Set 2.2: A 888 CYS SG : rot -142:sc= 0.633 USER MOD Set 2.3: A 892 TYR OH : rot -3:sc= 0.743 USER MOD Set 2.4: A 911 CYS SG : rot -84:sc= -2.14! USER MOD Set 2.5: A 914 CYS SG : rot 93:sc= -0.347! USER MOD Set 2.6: A 917 LYS NZ :NH3+ 160:sc= 1.2 (180deg=-0.481) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -1.38! X(o=-1.4!,f=-1.4) USER MOD Single : A 866 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 874 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.22) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 882 MET CE :methyl -124:sc= -0.0346 (180deg=-0.805) USER MOD Single : A 900 MET CE :methyl -163:sc= -0.0945 (180deg=-0.477) USER MOD Single : A 908 GLN :FLIP amide:sc= -0.757 F(o=-1.4,f=-0.76) USER MOD Single : A 913 LYS NZ :NH3+ -171:sc= -0.0231 (180deg=-0.157) USER MOD Single : A 916 ASN : amide:sc= -0.391 X(o=-0.39,f=0) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 857 9.002 6.084 -3.826 1.00 0.00 N ATOM 93 CA TYR A 857 7.576 5.964 -3.633 1.00 0.00 C ATOM 94 C TYR A 857 6.986 7.213 -3.036 1.00 0.00 C ATOM 95 O TYR A 857 5.813 7.239 -2.675 1.00 0.00 O ATOM 96 CB TYR A 857 7.251 4.733 -2.773 1.00 0.00 C ATOM 97 CG TYR A 857 7.791 3.448 -3.360 1.00 0.00 C ATOM 98 CD1 TYR A 857 9.118 3.087 -3.159 1.00 0.00 C ATOM 99 CD2 TYR A 857 6.996 2.619 -4.137 1.00 0.00 C ATOM 100 CE1 TYR A 857 9.637 1.948 -3.703 1.00 0.00 C ATOM 101 CE2 TYR A 857 7.507 1.461 -4.689 1.00 0.00 C ATOM 102 CZ TYR A 857 8.830 1.131 -4.471 1.00 0.00 C ATOM 103 OH TYR A 857 9.343 -0.019 -5.012 1.00 0.00 O ATOM 0 HA TYR A 857 7.119 5.831 -4.613 1.00 0.00 H new ATOM 0 HB2 TYR A 857 7.666 4.873 -1.775 1.00 0.00 H new ATOM 0 HB3 TYR A 857 6.170 4.649 -2.660 1.00 0.00 H new ATOM 0 HD1 TYR A 857 9.753 3.722 -2.559 1.00 0.00 H new ATOM 0 HD2 TYR A 857 5.963 2.883 -4.313 1.00 0.00 H new ATOM 0 HE1 TYR A 857 10.671 1.687 -3.534 1.00 0.00 H new ATOM 0 HE2 TYR A 857 6.877 0.819 -5.286 1.00 0.00 H new ATOM 0 HH TYR A 857 8.645 -0.480 -5.523 1.00 0.00 H new ATOM 113 N VAL A 858 7.792 8.242 -2.936 1.00 0.00 N ATOM 114 CA VAL A 858 7.355 9.509 -2.398 1.00 0.00 C ATOM 115 C VAL A 858 7.803 10.609 -3.353 1.00 0.00 C ATOM 116 O VAL A 858 8.964 10.627 -3.782 1.00 0.00 O ATOM 117 CB VAL A 858 7.935 9.787 -0.969 1.00 0.00 C ATOM 118 CG1 VAL A 858 7.369 11.080 -0.393 1.00 0.00 C ATOM 119 CG2 VAL A 858 7.661 8.625 -0.016 1.00 0.00 C ATOM 0 H VAL A 858 8.770 8.225 -3.225 1.00 0.00 H new ATOM 0 HA VAL A 858 6.270 9.484 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 858 9.015 9.892 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 858 7.787 11.250 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 858 7.630 11.914 -1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 858 6.284 11.002 -0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 858 8.078 8.853 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 858 6.585 8.473 0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 858 8.124 7.718 -0.405 1.00 0.00 H new ATOM 129 N ILE A 859 6.878 11.451 -3.737 1.00 0.00 N ATOM 130 CA ILE A 859 7.129 12.590 -4.619 1.00 0.00 C ATOM 131 C ILE A 859 6.351 13.769 -4.022 1.00 0.00 C ATOM 132 O ILE A 859 5.470 13.549 -3.191 1.00 0.00 O ATOM 133 CB ILE A 859 6.596 12.307 -6.085 1.00 0.00 C ATOM 134 CG1 ILE A 859 7.134 10.967 -6.615 1.00 0.00 C ATOM 135 CG2 ILE A 859 6.992 13.435 -7.049 1.00 0.00 C ATOM 136 CD1 ILE A 859 6.633 10.597 -7.998 1.00 0.00 C ATOM 0 H ILE A 859 5.904 11.373 -3.445 1.00 0.00 H new ATOM 0 HA ILE A 859 8.198 12.789 -4.690 1.00 0.00 H new ATOM 0 HB ILE A 859 5.508 12.259 -6.030 1.00 0.00 H new ATOM 0 HG12 ILE A 859 8.223 11.008 -6.635 1.00 0.00 H new ATOM 0 HG13 ILE A 859 6.858 10.176 -5.918 1.00 0.00 H new ATOM 0 HG21 ILE A 859 6.612 13.212 -8.046 1.00 0.00 H new ATOM 0 HG22 ILE A 859 6.567 14.377 -6.701 1.00 0.00 H new ATOM 0 HG23 ILE A 859 8.078 13.518 -7.085 1.00 0.00 H new ATOM 0 HD11 ILE A 859 7.060 9.639 -8.296 1.00 0.00 H new ATOM 0 HD12 ILE A 859 5.546 10.520 -7.983 1.00 0.00 H new ATOM 0 HD13 ILE A 859 6.933 11.365 -8.711 1.00 0.00 H new ATOM 148 N ARG A 860 6.662 14.992 -4.391 1.00 0.00 N ATOM 149 CA ARG A 860 5.897 16.103 -3.907 1.00 0.00 C ATOM 150 C ARG A 860 4.951 16.606 -4.963 1.00 0.00 C ATOM 151 O ARG A 860 5.264 16.634 -6.160 1.00 0.00 O ATOM 152 CB ARG A 860 6.755 17.263 -3.397 1.00 0.00 C ATOM 153 CG ARG A 860 7.600 16.946 -2.188 1.00 0.00 C ATOM 154 CD ARG A 860 8.246 18.208 -1.648 1.00 0.00 C ATOM 155 NE ARG A 860 9.071 17.948 -0.471 1.00 0.00 N ATOM 156 CZ ARG A 860 8.899 18.515 0.737 1.00 0.00 C ATOM 157 NH1 ARG A 860 7.856 19.321 0.965 1.00 0.00 N ATOM 158 NH2 ARG A 860 9.770 18.275 1.705 1.00 0.00 N ATOM 0 H ARG A 860 7.430 15.234 -5.017 1.00 0.00 H new ATOM 0 HA ARG A 860 5.335 15.720 -3.055 1.00 0.00 H new ATOM 0 HB2 ARG A 860 7.410 17.593 -4.203 1.00 0.00 H new ATOM 0 HB3 ARG A 860 6.101 18.101 -3.155 1.00 0.00 H new ATOM 0 HG2 ARG A 860 6.983 16.487 -1.416 1.00 0.00 H new ATOM 0 HG3 ARG A 860 8.369 16.221 -2.454 1.00 0.00 H new ATOM 0 HD2 ARG A 860 8.860 18.661 -2.426 1.00 0.00 H new ATOM 0 HD3 ARG A 860 7.470 18.930 -1.393 1.00 0.00 H new ATOM 0 HE ARG A 860 9.838 17.284 -0.573 1.00 0.00 H new ATOM 0 HH11 ARG A 860 7.185 19.509 0.221 1.00 0.00 H new ATOM 0 HH12 ARG A 860 7.732 19.747 1.883 1.00 0.00 H new ATOM 0 HH21 ARG A 860 10.567 17.662 1.533 1.00 0.00 H new ATOM 0 HH22 ARG A 860 9.644 18.703 2.622 1.00 0.00 H new ATOM 172 N ASP A 861 3.798 16.953 -4.510 1.00 0.00 N ATOM 173 CA ASP A 861 2.754 17.585 -5.299 1.00 0.00 C ATOM 174 C ASP A 861 3.112 19.052 -5.496 1.00 0.00 C ATOM 175 O ASP A 861 4.064 19.539 -4.890 1.00 0.00 O ATOM 176 CB ASP A 861 1.430 17.434 -4.538 1.00 0.00 C ATOM 177 CG ASP A 861 0.306 18.297 -5.009 1.00 0.00 C ATOM 178 OD1 ASP A 861 -0.256 18.041 -6.074 1.00 0.00 O ATOM 179 OD2 ASP A 861 -0.008 19.266 -4.307 1.00 0.00 O ATOM 0 H ASP A 861 3.527 16.805 -3.538 1.00 0.00 H new ATOM 0 HA ASP A 861 2.656 17.121 -6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 861 1.114 16.393 -4.600 1.00 0.00 H new ATOM 0 HB3 ASP A 861 1.612 17.650 -3.485 1.00 0.00 H new ATOM 184 N GLU A 862 2.353 19.754 -6.289 1.00 0.00 N ATOM 185 CA GLU A 862 2.637 21.149 -6.592 1.00 0.00 C ATOM 186 C GLU A 862 2.384 22.050 -5.389 1.00 0.00 C ATOM 187 O GLU A 862 2.989 23.111 -5.266 1.00 0.00 O ATOM 188 CB GLU A 862 1.866 21.645 -7.815 1.00 0.00 C ATOM 189 CG GLU A 862 0.358 21.496 -7.727 1.00 0.00 C ATOM 190 CD GLU A 862 -0.325 22.168 -8.882 1.00 0.00 C ATOM 191 OE1 GLU A 862 -0.084 21.777 -10.034 1.00 0.00 O ATOM 192 OE2 GLU A 862 -1.068 23.140 -8.667 1.00 0.00 O ATOM 0 H GLU A 862 1.519 19.387 -6.748 1.00 0.00 H new ATOM 0 HA GLU A 862 3.699 21.201 -6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 862 2.103 22.697 -7.973 1.00 0.00 H new ATOM 0 HB3 GLU A 862 2.219 21.103 -8.692 1.00 0.00 H new ATOM 0 HG2 GLU A 862 0.095 20.438 -7.712 1.00 0.00 H new ATOM 0 HG3 GLU A 862 0.002 21.926 -6.791 1.00 0.00 H new ATOM 199 N TRP A 863 1.491 21.637 -4.503 1.00 0.00 N ATOM 200 CA TRP A 863 1.235 22.381 -3.301 1.00 0.00 C ATOM 201 C TRP A 863 2.182 21.929 -2.200 1.00 0.00 C ATOM 202 O TRP A 863 2.228 22.512 -1.124 1.00 0.00 O ATOM 203 CB TRP A 863 -0.205 22.192 -2.842 1.00 0.00 C ATOM 204 CG TRP A 863 -1.217 22.681 -3.817 1.00 0.00 C ATOM 205 CD1 TRP A 863 -1.989 21.936 -4.646 1.00 0.00 C ATOM 206 CD2 TRP A 863 -1.554 24.035 -4.061 1.00 0.00 C ATOM 207 NE1 TRP A 863 -2.800 22.759 -5.385 1.00 0.00 N ATOM 208 CE2 TRP A 863 -2.553 24.051 -5.043 1.00 0.00 C ATOM 209 CE3 TRP A 863 -1.106 25.229 -3.536 1.00 0.00 C ATOM 210 CZ2 TRP A 863 -3.117 25.232 -5.511 1.00 0.00 C ATOM 211 CZ3 TRP A 863 -1.654 26.410 -3.992 1.00 0.00 C ATOM 212 CH2 TRP A 863 -2.656 26.403 -4.973 1.00 0.00 C ATOM 0 H TRP A 863 0.935 20.787 -4.603 1.00 0.00 H new ATOM 0 HA TRP A 863 1.398 23.438 -3.513 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -0.380 21.133 -2.652 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -0.346 22.713 -1.895 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -1.968 20.858 -4.714 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -3.480 22.451 -6.080 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -0.337 25.239 -2.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -3.887 25.226 -6.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -1.308 27.350 -3.589 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -3.072 27.341 -5.311 1.00 0.00 H new ATOM 223 N GLY A 864 2.938 20.891 -2.482 1.00 0.00 N ATOM 224 CA GLY A 864 3.851 20.347 -1.507 1.00 0.00 C ATOM 225 C GLY A 864 3.238 19.209 -0.736 1.00 0.00 C ATOM 226 O GLY A 864 3.761 18.794 0.309 1.00 0.00 O ATOM 0 H GLY A 864 2.937 20.408 -3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 864 4.754 20.000 -2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 864 4.153 21.133 -0.815 1.00 0.00 H new ATOM 230 N ASN A 865 2.117 18.707 -1.239 1.00 0.00 N ATOM 231 CA ASN A 865 1.481 17.543 -0.639 1.00 0.00 C ATOM 232 C ASN A 865 2.319 16.334 -0.974 1.00 0.00 C ATOM 233 O ASN A 865 3.097 16.360 -1.937 1.00 0.00 O ATOM 234 CB ASN A 865 0.034 17.315 -1.139 1.00 0.00 C ATOM 235 CG ASN A 865 -0.928 18.452 -0.833 1.00 0.00 C ATOM 236 OD1 ASN A 865 -1.503 18.521 0.264 1.00 0.00 O ATOM 237 ND2 ASN A 865 -1.177 19.299 -1.808 1.00 0.00 N ATOM 0 H ASN A 865 1.634 19.084 -2.054 1.00 0.00 H new ATOM 0 HA ASN A 865 1.416 17.710 0.436 1.00 0.00 H new ATOM 0 HB2 ASN A 865 0.057 17.156 -2.217 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -0.352 16.400 -0.690 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -1.862 20.043 -1.675 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -0.685 19.212 -2.697 1.00 0.00 H new ATOM 244 N GLN A 866 2.189 15.295 -0.225 1.00 0.00 N ATOM 245 CA GLN A 866 2.977 14.133 -0.475 1.00 0.00 C ATOM 246 C GLN A 866 2.273 13.169 -1.393 1.00 0.00 C ATOM 247 O GLN A 866 1.090 12.836 -1.215 1.00 0.00 O ATOM 248 CB GLN A 866 3.439 13.487 0.819 1.00 0.00 C ATOM 249 CG GLN A 866 4.392 14.384 1.589 1.00 0.00 C ATOM 250 CD GLN A 866 4.851 13.812 2.908 1.00 0.00 C ATOM 251 OE1 GLN A 866 4.134 13.057 3.573 1.00 0.00 O ATOM 252 NE2 GLN A 866 6.038 14.162 3.307 1.00 0.00 N ATOM 0 H GLN A 866 1.547 15.223 0.564 1.00 0.00 H new ATOM 0 HA GLN A 866 3.878 14.449 -1.001 1.00 0.00 H new ATOM 0 HB2 GLN A 866 2.573 13.258 1.440 1.00 0.00 H new ATOM 0 HB3 GLN A 866 3.931 12.540 0.597 1.00 0.00 H new ATOM 0 HG2 GLN A 866 5.266 14.584 0.969 1.00 0.00 H new ATOM 0 HG3 GLN A 866 3.904 15.342 1.771 1.00 0.00 H new ATOM 0 HE21 GLN A 866 6.605 14.787 2.734 1.00 0.00 H new ATOM 0 HE22 GLN A 866 6.402 13.811 4.193 1.00 0.00 H new ATOM 261 N ILE A 867 2.976 12.798 -2.410 1.00 0.00 N ATOM 262 CA ILE A 867 2.518 11.863 -3.384 1.00 0.00 C ATOM 263 C ILE A 867 3.118 10.536 -3.053 1.00 0.00 C ATOM 264 O ILE A 867 4.336 10.423 -2.916 1.00 0.00 O ATOM 265 CB ILE A 867 2.979 12.255 -4.809 1.00 0.00 C ATOM 266 CG1 ILE A 867 2.431 13.617 -5.229 1.00 0.00 C ATOM 267 CG2 ILE A 867 2.597 11.187 -5.829 1.00 0.00 C ATOM 268 CD1 ILE A 867 0.929 13.676 -5.318 1.00 0.00 C ATOM 0 H ILE A 867 3.916 13.148 -2.593 1.00 0.00 H new ATOM 0 HA ILE A 867 1.428 11.841 -3.367 1.00 0.00 H new ATOM 0 HB ILE A 867 4.066 12.329 -4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 867 2.772 14.369 -4.517 1.00 0.00 H new ATOM 0 HG13 ILE A 867 2.852 13.883 -6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 867 2.935 11.492 -6.819 1.00 0.00 H new ATOM 0 HG22 ILE A 867 3.069 10.242 -5.560 1.00 0.00 H new ATOM 0 HG23 ILE A 867 1.514 11.063 -5.837 1.00 0.00 H new ATOM 0 HD11 ILE A 867 0.622 14.677 -5.622 1.00 0.00 H new ATOM 0 HD12 ILE A 867 0.579 12.950 -6.052 1.00 0.00 H new ATOM 0 HD13 ILE A 867 0.497 13.444 -4.344 1.00 0.00 H new ATOM 280 N TRP A 868 2.296 9.560 -2.923 1.00 0.00 N ATOM 281 CA TRP A 868 2.754 8.239 -2.630 1.00 0.00 C ATOM 282 C TRP A 868 2.594 7.385 -3.849 1.00 0.00 C ATOM 283 O TRP A 868 1.754 7.675 -4.709 1.00 0.00 O ATOM 284 CB TRP A 868 1.986 7.641 -1.464 1.00 0.00 C ATOM 285 CG TRP A 868 2.150 8.408 -0.191 1.00 0.00 C ATOM 286 CD1 TRP A 868 3.230 8.393 0.646 1.00 0.00 C ATOM 287 CD2 TRP A 868 1.198 9.298 0.399 1.00 0.00 C ATOM 288 NE1 TRP A 868 3.008 9.230 1.713 1.00 0.00 N ATOM 289 CE2 TRP A 868 1.768 9.794 1.586 1.00 0.00 C ATOM 290 CE3 TRP A 868 -0.082 9.726 0.034 1.00 0.00 C ATOM 291 CZ2 TRP A 868 1.103 10.694 2.407 1.00 0.00 C ATOM 292 CZ3 TRP A 868 -0.739 10.617 0.851 1.00 0.00 C ATOM 293 CH2 TRP A 868 -0.146 11.093 2.025 1.00 0.00 C ATOM 0 H TRP A 868 1.284 9.648 -3.016 1.00 0.00 H new ATOM 0 HA TRP A 868 3.805 8.283 -2.346 1.00 0.00 H new ATOM 0 HB2 TRP A 868 0.927 7.597 -1.720 1.00 0.00 H new ATOM 0 HB3 TRP A 868 2.319 6.615 -1.307 1.00 0.00 H new ATOM 0 HD1 TRP A 868 4.126 7.810 0.492 1.00 0.00 H new ATOM 0 HE1 TRP A 868 3.662 9.403 2.476 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -0.546 9.364 -0.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 1.556 11.065 3.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -1.729 10.954 0.581 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -0.689 11.792 2.644 1.00 0.00 H new ATOM 304 N ILE A 869 3.409 6.393 -3.955 1.00 0.00 N ATOM 305 CA ILE A 869 3.353 5.470 -5.040 1.00 0.00 C ATOM 306 C ILE A 869 2.930 4.111 -4.535 1.00 0.00 C ATOM 307 O ILE A 869 3.431 3.636 -3.512 1.00 0.00 O ATOM 308 CB ILE A 869 4.706 5.408 -5.816 1.00 0.00 C ATOM 309 CG1 ILE A 869 4.959 6.747 -6.545 1.00 0.00 C ATOM 310 CG2 ILE A 869 4.772 4.223 -6.768 1.00 0.00 C ATOM 311 CD1 ILE A 869 6.167 6.784 -7.445 1.00 0.00 C ATOM 0 H ILE A 869 4.147 6.195 -3.279 1.00 0.00 H new ATOM 0 HA ILE A 869 2.606 5.818 -5.754 1.00 0.00 H new ATOM 0 HB ILE A 869 5.504 5.254 -5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 869 4.078 6.987 -7.140 1.00 0.00 H new ATOM 0 HG13 ILE A 869 5.062 7.533 -5.797 1.00 0.00 H new ATOM 0 HG21 ILE A 869 5.732 4.224 -7.284 1.00 0.00 H new ATOM 0 HG22 ILE A 869 4.664 3.297 -6.204 1.00 0.00 H new ATOM 0 HG23 ILE A 869 3.967 4.298 -7.499 1.00 0.00 H new ATOM 0 HD11 ILE A 869 6.248 7.769 -7.905 1.00 0.00 H new ATOM 0 HD12 ILE A 869 7.064 6.582 -6.859 1.00 0.00 H new ATOM 0 HD13 ILE A 869 6.064 6.028 -8.223 1.00 0.00 H new ATOM 323 N CYS A 870 1.992 3.535 -5.242 1.00 0.00 N ATOM 324 CA CYS A 870 1.417 2.268 -4.952 1.00 0.00 C ATOM 325 C CYS A 870 2.347 1.164 -5.460 1.00 0.00 C ATOM 326 O CYS A 870 2.520 1.004 -6.668 1.00 0.00 O ATOM 327 CB CYS A 870 0.060 2.222 -5.680 1.00 0.00 C ATOM 328 SG CYS A 870 -0.952 0.717 -5.560 1.00 0.00 S ATOM 0 H CYS A 870 1.596 3.968 -6.076 1.00 0.00 H new ATOM 0 HA CYS A 870 1.277 2.119 -3.881 1.00 0.00 H new ATOM 0 HB2 CYS A 870 -0.541 3.053 -5.310 1.00 0.00 H new ATOM 0 HB3 CYS A 870 0.247 2.410 -6.737 1.00 0.00 H new ATOM 0 HG CYS A 870 -1.773 0.665 -6.566 1.00 0.00 H new ATOM 333 N PRO A 871 2.967 0.403 -4.551 1.00 0.00 N ATOM 334 CA PRO A 871 3.859 -0.731 -4.892 1.00 0.00 C ATOM 335 C PRO A 871 3.137 -1.883 -5.637 1.00 0.00 C ATOM 336 O PRO A 871 3.734 -2.927 -5.920 1.00 0.00 O ATOM 337 CB PRO A 871 4.361 -1.223 -3.527 1.00 0.00 C ATOM 338 CG PRO A 871 4.116 -0.093 -2.592 1.00 0.00 C ATOM 339 CD PRO A 871 2.900 0.618 -3.102 1.00 0.00 C ATOM 0 HA PRO A 871 4.648 -0.413 -5.573 1.00 0.00 H new ATOM 0 HB2 PRO A 871 3.827 -2.119 -3.211 1.00 0.00 H new ATOM 0 HB3 PRO A 871 5.420 -1.480 -3.566 1.00 0.00 H new ATOM 0 HG2 PRO A 871 3.957 -0.456 -1.577 1.00 0.00 H new ATOM 0 HG3 PRO A 871 4.974 0.578 -2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 871 1.985 0.206 -2.676 1.00 0.00 H new ATOM 0 HD3 PRO A 871 2.919 1.679 -2.851 1.00 0.00 H new ATOM 347 N GLY A 872 1.862 -1.699 -5.926 1.00 0.00 N ATOM 348 CA GLY A 872 1.125 -2.677 -6.678 1.00 0.00 C ATOM 349 C GLY A 872 1.201 -2.412 -8.174 1.00 0.00 C ATOM 350 O GLY A 872 0.930 -3.299 -8.981 1.00 0.00 O ATOM 0 H GLY A 872 1.322 -0.879 -5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 872 1.517 -3.671 -6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 872 0.082 -2.670 -6.360 1.00 0.00 H new ATOM 354 N CYS A 873 1.550 -1.181 -8.547 1.00 0.00 N ATOM 355 CA CYS A 873 1.639 -0.801 -9.952 1.00 0.00 C ATOM 356 C CYS A 873 2.877 0.067 -10.249 1.00 0.00 C ATOM 357 O CYS A 873 3.364 0.111 -11.387 1.00 0.00 O ATOM 358 CB CYS A 873 0.387 -0.018 -10.273 1.00 0.00 C ATOM 359 SG CYS A 873 0.062 1.287 -9.058 1.00 0.00 S ATOM 0 H CYS A 873 1.775 -0.431 -7.893 1.00 0.00 H new ATOM 0 HA CYS A 873 1.733 -1.699 -10.563 1.00 0.00 H new ATOM 0 HB2 CYS A 873 0.483 0.427 -11.264 1.00 0.00 H new ATOM 0 HB3 CYS A 873 -0.464 -0.697 -10.310 1.00 0.00 H new ATOM 0 HG CYS A 873 -0.275 0.749 -7.923 1.00 0.00 H new ATOM 364 N ASN A 874 3.347 0.755 -9.217 1.00 0.00 N ATOM 365 CA ASN A 874 4.449 1.733 -9.266 1.00 0.00 C ATOM 366 C ASN A 874 3.921 3.064 -9.824 1.00 0.00 C ATOM 367 O ASN A 874 4.658 3.948 -10.261 1.00 0.00 O ATOM 368 CB ASN A 874 5.745 1.194 -9.973 1.00 0.00 C ATOM 369 CG ASN A 874 6.951 2.152 -9.875 1.00 0.00 C ATOM 370 OD1 ASN A 874 7.626 2.214 -8.846 1.00 0.00 O ATOM 371 ND2 ASN A 874 7.286 2.821 -10.955 1.00 0.00 N ATOM 0 H ASN A 874 2.961 0.649 -8.279 1.00 0.00 H new ATOM 0 HA ASN A 874 4.796 1.916 -8.249 1.00 0.00 H new ATOM 0 HB2 ASN A 874 6.017 0.236 -9.531 1.00 0.00 H new ATOM 0 HB3 ASN A 874 5.524 1.009 -11.024 1.00 0.00 H new ATOM 0 HD21 ASN A 874 8.121 3.407 -10.953 1.00 0.00 H new ATOM 0 HD22 ASN A 874 6.712 2.754 -11.795 1.00 0.00 H new ATOM 378 N LYS A 875 2.610 3.218 -9.739 1.00 0.00 N ATOM 379 CA LYS A 875 1.967 4.455 -10.102 1.00 0.00 C ATOM 380 C LYS A 875 1.825 5.347 -8.864 1.00 0.00 C ATOM 381 O LYS A 875 1.526 4.853 -7.764 1.00 0.00 O ATOM 382 CB LYS A 875 0.570 4.232 -10.647 1.00 0.00 C ATOM 383 CG LYS A 875 0.435 3.499 -11.963 1.00 0.00 C ATOM 384 CD LYS A 875 -1.051 3.302 -12.241 1.00 0.00 C ATOM 385 CE LYS A 875 -1.351 2.594 -13.547 1.00 0.00 C ATOM 386 NZ LYS A 875 -2.818 2.479 -13.759 1.00 0.00 N ATOM 0 H LYS A 875 1.971 2.490 -9.418 1.00 0.00 H new ATOM 0 HA LYS A 875 2.588 4.919 -10.868 1.00 0.00 H new ATOM 0 HB2 LYS A 875 0.002 3.681 -9.897 1.00 0.00 H new ATOM 0 HB3 LYS A 875 0.094 5.206 -10.756 1.00 0.00 H new ATOM 0 HG2 LYS A 875 0.901 4.069 -12.767 1.00 0.00 H new ATOM 0 HG3 LYS A 875 0.945 2.537 -11.918 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -1.490 2.731 -11.422 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -1.540 4.276 -12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -0.901 3.142 -14.375 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -0.901 1.601 -13.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -3.002 1.991 -14.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -3.240 1.936 -12.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -3.240 3.429 -13.788 1.00 0.00 H new ATOM 400 N PRO A 876 2.065 6.645 -9.018 1.00 0.00 N ATOM 401 CA PRO A 876 1.853 7.636 -7.965 1.00 0.00 C ATOM 402 C PRO A 876 0.373 8.002 -7.793 1.00 0.00 C ATOM 403 O PRO A 876 -0.465 7.683 -8.636 1.00 0.00 O ATOM 404 CB PRO A 876 2.632 8.854 -8.468 1.00 0.00 C ATOM 405 CG PRO A 876 2.650 8.712 -9.950 1.00 0.00 C ATOM 406 CD PRO A 876 2.636 7.240 -10.231 1.00 0.00 C ATOM 0 HA PRO A 876 2.176 7.266 -6.992 1.00 0.00 H new ATOM 0 HB2 PRO A 876 2.150 9.784 -8.166 1.00 0.00 H new ATOM 0 HB3 PRO A 876 3.643 8.872 -8.061 1.00 0.00 H new ATOM 0 HG2 PRO A 876 1.785 9.202 -10.398 1.00 0.00 H new ATOM 0 HG3 PRO A 876 3.538 9.181 -10.375 1.00 0.00 H new ATOM 0 HD2 PRO A 876 2.033 7.008 -11.109 1.00 0.00 H new ATOM 0 HD3 PRO A 876 3.640 6.862 -10.425 1.00 0.00 H new ATOM 414 N ASP A 877 0.064 8.613 -6.678 1.00 0.00 N ATOM 415 CA ASP A 877 -1.272 9.120 -6.380 1.00 0.00 C ATOM 416 C ASP A 877 -1.733 10.142 -7.411 1.00 0.00 C ATOM 417 O ASP A 877 -1.056 11.137 -7.653 1.00 0.00 O ATOM 418 CB ASP A 877 -1.308 9.746 -4.985 1.00 0.00 C ATOM 419 CG ASP A 877 -2.585 10.511 -4.740 1.00 0.00 C ATOM 420 OD1 ASP A 877 -3.673 9.913 -4.755 1.00 0.00 O ATOM 421 OD2 ASP A 877 -2.523 11.739 -4.548 1.00 0.00 O ATOM 0 H ASP A 877 0.739 8.780 -5.931 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.954 8.271 -6.416 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -1.205 8.963 -4.234 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -0.456 10.416 -4.866 1.00 0.00 H new ATOM 426 N ASP A 878 -2.893 9.899 -7.986 1.00 0.00 N ATOM 427 CA ASP A 878 -3.475 10.784 -9.011 1.00 0.00 C ATOM 428 C ASP A 878 -4.509 11.693 -8.373 1.00 0.00 C ATOM 429 O ASP A 878 -5.350 12.274 -9.061 1.00 0.00 O ATOM 430 CB ASP A 878 -4.199 9.970 -10.114 1.00 0.00 C ATOM 431 CG ASP A 878 -3.315 9.101 -10.982 1.00 0.00 C ATOM 432 OD1 ASP A 878 -2.592 9.636 -11.858 1.00 0.00 O ATOM 433 OD2 ASP A 878 -3.361 7.852 -10.849 1.00 0.00 O ATOM 0 H ASP A 878 -3.469 9.087 -7.766 1.00 0.00 H new ATOM 0 HA ASP A 878 -2.657 11.355 -9.450 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -4.946 9.334 -9.638 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -4.737 10.666 -10.758 1.00 0.00 H new ATOM 438 N GLY A 879 -4.435 11.841 -7.074 1.00 0.00 N ATOM 439 CA GLY A 879 -5.467 12.551 -6.358 1.00 0.00 C ATOM 440 C GLY A 879 -6.559 11.577 -6.089 1.00 0.00 C ATOM 441 O GLY A 879 -7.750 11.868 -6.227 1.00 0.00 O ATOM 0 H GLY A 879 -3.677 11.482 -6.493 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -5.078 12.961 -5.426 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -5.836 13.391 -6.946 1.00 0.00 H new ATOM 445 N SER A 880 -6.139 10.416 -5.706 1.00 0.00 N ATOM 446 CA SER A 880 -6.979 9.292 -5.580 1.00 0.00 C ATOM 447 C SER A 880 -7.076 8.824 -4.131 1.00 0.00 C ATOM 448 O SER A 880 -6.150 9.058 -3.330 1.00 0.00 O ATOM 449 CB SER A 880 -6.400 8.191 -6.484 1.00 0.00 C ATOM 450 OG SER A 880 -4.971 8.073 -6.317 1.00 0.00 O ATOM 0 H SER A 880 -5.166 10.227 -5.466 1.00 0.00 H new ATOM 0 HA SER A 880 -7.995 9.543 -5.884 1.00 0.00 H new ATOM 0 HB2 SER A 880 -6.875 7.238 -6.251 1.00 0.00 H new ATOM 0 HB3 SER A 880 -6.629 8.415 -7.526 1.00 0.00 H new ATOM 0 HG SER A 880 -4.712 8.443 -5.447 1.00 0.00 H new ATOM 456 N PRO A 881 -8.209 8.219 -3.747 1.00 0.00 N ATOM 457 CA PRO A 881 -8.341 7.585 -2.453 1.00 0.00 C ATOM 458 C PRO A 881 -7.454 6.349 -2.422 1.00 0.00 C ATOM 459 O PRO A 881 -7.544 5.472 -3.300 1.00 0.00 O ATOM 460 CB PRO A 881 -9.823 7.184 -2.369 1.00 0.00 C ATOM 461 CG PRO A 881 -10.496 7.913 -3.479 1.00 0.00 C ATOM 462 CD PRO A 881 -9.451 8.129 -4.527 1.00 0.00 C ATOM 0 HA PRO A 881 -8.048 8.228 -1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -9.945 6.106 -2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -10.250 7.458 -1.404 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -11.331 7.335 -3.875 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -10.902 8.863 -3.132 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -9.420 7.306 -5.241 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -9.635 9.039 -5.098 1.00 0.00 H new ATOM 470 N MET A 882 -6.568 6.300 -1.481 1.00 0.00 N ATOM 471 CA MET A 882 -5.655 5.206 -1.385 1.00 0.00 C ATOM 472 C MET A 882 -5.834 4.525 -0.059 1.00 0.00 C ATOM 473 O MET A 882 -6.347 5.124 0.896 1.00 0.00 O ATOM 474 CB MET A 882 -4.201 5.681 -1.592 1.00 0.00 C ATOM 475 CG MET A 882 -3.968 6.341 -2.953 1.00 0.00 C ATOM 476 SD MET A 882 -2.289 6.966 -3.192 1.00 0.00 S ATOM 477 CE MET A 882 -1.352 5.452 -3.346 1.00 0.00 C ATOM 0 H MET A 882 -6.456 7.013 -0.760 1.00 0.00 H new ATOM 0 HA MET A 882 -5.868 4.487 -2.176 1.00 0.00 H new ATOM 0 HB2 MET A 882 -3.941 6.388 -0.804 1.00 0.00 H new ATOM 0 HB3 MET A 882 -3.529 4.829 -1.490 1.00 0.00 H new ATOM 0 HG2 MET A 882 -4.190 5.618 -3.738 1.00 0.00 H new ATOM 0 HG3 MET A 882 -4.671 7.165 -3.070 1.00 0.00 H new ATOM 0 HE1 MET A 882 -0.556 5.440 -2.602 1.00 0.00 H new ATOM 0 HE2 MET A 882 -2.011 4.598 -3.187 1.00 0.00 H new ATOM 0 HE3 MET A 882 -0.917 5.393 -4.344 1.00 0.00 H new ATOM 487 N ILE A 883 -5.442 3.302 0.004 1.00 0.00 N ATOM 488 CA ILE A 883 -5.578 2.512 1.179 1.00 0.00 C ATOM 489 C ILE A 883 -4.195 2.079 1.642 1.00 0.00 C ATOM 490 O ILE A 883 -3.350 1.728 0.829 1.00 0.00 O ATOM 491 CB ILE A 883 -6.533 1.287 0.935 1.00 0.00 C ATOM 492 CG1 ILE A 883 -6.701 0.459 2.220 1.00 0.00 C ATOM 493 CG2 ILE A 883 -6.055 0.416 -0.243 1.00 0.00 C ATOM 494 CD1 ILE A 883 -7.758 -0.615 2.129 1.00 0.00 C ATOM 0 H ILE A 883 -5.008 2.810 -0.777 1.00 0.00 H new ATOM 0 HA ILE A 883 -6.041 3.105 1.968 1.00 0.00 H new ATOM 0 HB ILE A 883 -7.512 1.680 0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 883 -5.747 -0.006 2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 883 -6.951 1.130 3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 883 -6.741 -0.420 -0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 883 -6.029 1.016 -1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 883 -5.056 0.035 -0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 883 -7.813 -1.152 3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 883 -8.724 -0.158 1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 883 -7.501 -1.312 1.331 1.00 0.00 H new ATOM 506 N GLY A 884 -3.946 2.189 2.913 1.00 0.00 N ATOM 507 CA GLY A 884 -2.669 1.806 3.442 1.00 0.00 C ATOM 508 C GLY A 884 -2.727 0.410 3.976 1.00 0.00 C ATOM 509 O GLY A 884 -3.816 -0.081 4.309 1.00 0.00 O ATOM 0 H GLY A 884 -4.609 2.541 3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 884 -1.910 1.874 2.663 1.00 0.00 H new ATOM 0 HA3 GLY A 884 -2.375 2.494 4.234 1.00 0.00 H new ATOM 513 N CYS A 885 -1.598 -0.238 4.070 1.00 0.00 N ATOM 514 CA CYS A 885 -1.570 -1.582 4.565 1.00 0.00 C ATOM 515 C CYS A 885 -1.620 -1.591 6.085 1.00 0.00 C ATOM 516 O CYS A 885 -1.522 -0.539 6.746 1.00 0.00 O ATOM 517 CB CYS A 885 -0.322 -2.320 4.047 1.00 0.00 C ATOM 518 SG CYS A 885 -0.160 -4.068 4.556 1.00 0.00 S ATOM 0 H CYS A 885 -0.689 0.144 3.810 1.00 0.00 H new ATOM 0 HA CYS A 885 -2.451 -2.108 4.196 1.00 0.00 H new ATOM 0 HB2 CYS A 885 -0.324 -2.278 2.958 1.00 0.00 H new ATOM 0 HB3 CYS A 885 0.562 -1.780 4.385 1.00 0.00 H new ATOM 0 HG CYS A 885 0.986 -4.532 4.155 1.00 0.00 H new ATOM 523 N ASP A 886 -1.788 -2.760 6.626 1.00 0.00 N ATOM 524 CA ASP A 886 -1.792 -2.962 8.050 1.00 0.00 C ATOM 525 C ASP A 886 -0.382 -3.338 8.463 1.00 0.00 C ATOM 526 O ASP A 886 0.045 -3.088 9.589 1.00 0.00 O ATOM 527 CB ASP A 886 -2.785 -4.071 8.437 1.00 0.00 C ATOM 528 CG ASP A 886 -2.975 -4.217 9.936 1.00 0.00 C ATOM 529 OD1 ASP A 886 -3.791 -3.462 10.513 1.00 0.00 O ATOM 530 OD2 ASP A 886 -2.362 -5.118 10.565 1.00 0.00 O ATOM 0 H ASP A 886 -1.928 -3.614 6.086 1.00 0.00 H new ATOM 0 HA ASP A 886 -2.107 -2.053 8.562 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -3.750 -3.861 7.975 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -2.436 -5.019 8.029 1.00 0.00 H new ATOM 535 N ASP A 887 0.371 -3.878 7.510 1.00 0.00 N ATOM 536 CA ASP A 887 1.737 -4.297 7.765 1.00 0.00 C ATOM 537 C ASP A 887 2.721 -3.255 7.270 1.00 0.00 C ATOM 538 O ASP A 887 3.625 -2.860 8.009 1.00 0.00 O ATOM 539 CB ASP A 887 2.052 -5.646 7.119 1.00 0.00 C ATOM 540 CG ASP A 887 3.412 -6.178 7.533 1.00 0.00 C ATOM 541 OD1 ASP A 887 4.446 -5.825 6.918 1.00 0.00 O ATOM 542 OD2 ASP A 887 3.476 -6.959 8.507 1.00 0.00 O ATOM 0 H ASP A 887 0.054 -4.034 6.553 1.00 0.00 H new ATOM 0 HA ASP A 887 1.838 -4.406 8.845 1.00 0.00 H new ATOM 0 HB2 ASP A 887 1.283 -6.367 7.395 1.00 0.00 H new ATOM 0 HB3 ASP A 887 2.019 -5.544 6.034 1.00 0.00 H new ATOM 547 N CYS A 888 2.540 -2.783 6.038 1.00 0.00 N ATOM 548 CA CYS A 888 3.457 -1.811 5.495 1.00 0.00 C ATOM 549 C CYS A 888 2.924 -0.383 5.607 1.00 0.00 C ATOM 550 O CYS A 888 1.733 -0.159 5.881 1.00 0.00 O ATOM 551 CB CYS A 888 3.966 -2.177 4.059 1.00 0.00 C ATOM 552 SG CYS A 888 2.728 -2.493 2.764 1.00 0.00 S ATOM 0 H CYS A 888 1.780 -3.057 5.416 1.00 0.00 H new ATOM 0 HA CYS A 888 4.346 -1.847 6.124 1.00 0.00 H new ATOM 0 HB2 CYS A 888 4.607 -1.365 3.716 1.00 0.00 H new ATOM 0 HB3 CYS A 888 4.593 -3.064 4.144 1.00 0.00 H new ATOM 0 HG CYS A 888 3.135 -3.465 2.003 1.00 0.00 H new ATOM 557 N ASP A 889 3.814 0.558 5.416 1.00 0.00 N ATOM 558 CA ASP A 889 3.537 1.997 5.551 1.00 0.00 C ATOM 559 C ASP A 889 3.038 2.570 4.233 1.00 0.00 C ATOM 560 O ASP A 889 2.428 3.656 4.178 1.00 0.00 O ATOM 561 CB ASP A 889 4.840 2.705 5.969 1.00 0.00 C ATOM 562 CG ASP A 889 4.761 4.216 5.987 1.00 0.00 C ATOM 563 OD1 ASP A 889 4.361 4.799 7.008 1.00 0.00 O ATOM 564 OD2 ASP A 889 5.140 4.858 4.983 1.00 0.00 O ATOM 0 H ASP A 889 4.780 0.357 5.155 1.00 0.00 H new ATOM 0 HA ASP A 889 2.764 2.152 6.303 1.00 0.00 H new ATOM 0 HB2 ASP A 889 5.124 2.358 6.963 1.00 0.00 H new ATOM 0 HB3 ASP A 889 5.636 2.404 5.287 1.00 0.00 H new ATOM 569 N ASP A 890 3.260 1.814 3.191 1.00 0.00 N ATOM 570 CA ASP A 890 2.957 2.231 1.841 1.00 0.00 C ATOM 571 C ASP A 890 1.471 2.340 1.582 1.00 0.00 C ATOM 572 O ASP A 890 0.645 1.660 2.220 1.00 0.00 O ATOM 573 CB ASP A 890 3.618 1.305 0.814 1.00 0.00 C ATOM 574 CG ASP A 890 5.125 1.430 0.794 1.00 0.00 C ATOM 575 OD1 ASP A 890 5.817 0.697 1.542 1.00 0.00 O ATOM 576 OD2 ASP A 890 5.660 2.265 0.020 1.00 0.00 O ATOM 0 H ASP A 890 3.662 0.878 3.253 1.00 0.00 H new ATOM 0 HA ASP A 890 3.374 3.232 1.728 1.00 0.00 H new ATOM 0 HB2 ASP A 890 3.347 0.273 1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 890 3.226 1.532 -0.178 1.00 0.00 H new ATOM 581 N TRP A 891 1.137 3.206 0.658 1.00 0.00 N ATOM 582 CA TRP A 891 -0.227 3.438 0.265 1.00 0.00 C ATOM 583 C TRP A 891 -0.479 2.802 -1.075 1.00 0.00 C ATOM 584 O TRP A 891 0.320 2.950 -2.001 1.00 0.00 O ATOM 585 CB TRP A 891 -0.550 4.938 0.205 1.00 0.00 C ATOM 586 CG TRP A 891 -0.594 5.618 1.539 1.00 0.00 C ATOM 587 CD1 TRP A 891 0.442 6.192 2.209 1.00 0.00 C ATOM 588 CD2 TRP A 891 -1.752 5.801 2.360 1.00 0.00 C ATOM 589 NE1 TRP A 891 -0.003 6.719 3.399 1.00 0.00 N ATOM 590 CE2 TRP A 891 -1.345 6.488 3.514 1.00 0.00 C ATOM 591 CE3 TRP A 891 -3.095 5.446 2.228 1.00 0.00 C ATOM 592 CZ2 TRP A 891 -2.233 6.831 4.527 1.00 0.00 C ATOM 593 CZ3 TRP A 891 -3.976 5.783 3.233 1.00 0.00 C ATOM 594 CH2 TRP A 891 -3.541 6.469 4.370 1.00 0.00 C ATOM 0 H TRP A 891 1.815 3.776 0.152 1.00 0.00 H new ATOM 0 HA TRP A 891 -0.879 2.989 1.015 1.00 0.00 H new ATOM 0 HB2 TRP A 891 0.196 5.433 -0.416 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -1.513 5.070 -0.288 1.00 0.00 H new ATOM 0 HD1 TRP A 891 1.463 6.228 1.858 1.00 0.00 H new ATOM 0 HE1 TRP A 891 0.575 7.204 4.085 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -3.439 4.916 1.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -1.901 7.364 5.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -5.018 5.513 3.140 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -4.254 6.718 5.142 1.00 0.00 H new ATOM 605 N TYR A 892 -1.571 2.104 -1.175 1.00 0.00 N ATOM 606 CA TYR A 892 -1.944 1.399 -2.370 1.00 0.00 C ATOM 607 C TYR A 892 -3.213 2.004 -2.927 1.00 0.00 C ATOM 608 O TYR A 892 -4.054 2.490 -2.175 1.00 0.00 O ATOM 609 CB TYR A 892 -2.141 -0.102 -2.053 1.00 0.00 C ATOM 610 CG TYR A 892 -0.869 -0.767 -1.554 1.00 0.00 C ATOM 611 CD1 TYR A 892 -0.419 -0.569 -0.253 1.00 0.00 C ATOM 612 CD2 TYR A 892 -0.103 -1.553 -2.394 1.00 0.00 C ATOM 613 CE1 TYR A 892 0.751 -1.119 0.189 1.00 0.00 C ATOM 614 CE2 TYR A 892 1.073 -2.125 -1.949 1.00 0.00 C ATOM 615 CZ TYR A 892 1.497 -1.892 -0.657 1.00 0.00 C ATOM 616 OH TYR A 892 2.679 -2.425 -0.217 1.00 0.00 O ATOM 0 H TYR A 892 -2.243 2.005 -0.414 1.00 0.00 H new ATOM 0 HA TYR A 892 -1.155 1.488 -3.116 1.00 0.00 H new ATOM 0 HB2 TYR A 892 -2.922 -0.211 -1.301 1.00 0.00 H new ATOM 0 HB3 TYR A 892 -2.488 -0.616 -2.949 1.00 0.00 H new ATOM 0 HD1 TYR A 892 -1.008 0.033 0.423 1.00 0.00 H new ATOM 0 HD2 TYR A 892 -0.428 -1.722 -3.410 1.00 0.00 H new ATOM 0 HE1 TYR A 892 1.085 -0.944 1.201 1.00 0.00 H new ATOM 0 HE2 TYR A 892 1.657 -2.750 -2.608 1.00 0.00 H new ATOM 0 HH TYR A 892 2.857 -2.116 0.696 1.00 0.00 H new ATOM 626 N HIS A 893 -3.345 2.006 -4.220 1.00 0.00 N ATOM 627 CA HIS A 893 -4.531 2.580 -4.859 1.00 0.00 C ATOM 628 C HIS A 893 -5.695 1.633 -4.734 1.00 0.00 C ATOM 629 O HIS A 893 -5.521 0.420 -4.867 1.00 0.00 O ATOM 630 CB HIS A 893 -4.325 2.865 -6.354 1.00 0.00 C ATOM 631 CG HIS A 893 -3.315 3.900 -6.709 1.00 0.00 C ATOM 632 ND1 HIS A 893 -2.159 3.560 -7.372 1.00 0.00 N ATOM 633 CD2 HIS A 893 -3.364 5.241 -6.558 1.00 0.00 C ATOM 634 CE1 HIS A 893 -1.538 4.714 -7.609 1.00 0.00 C ATOM 635 NE2 HIS A 893 -2.227 5.743 -7.136 1.00 0.00 N ATOM 0 H HIS A 893 -2.657 1.621 -4.867 1.00 0.00 H new ATOM 0 HA HIS A 893 -4.724 3.523 -4.347 1.00 0.00 H new ATOM 0 HB2 HIS A 893 -4.041 1.932 -6.841 1.00 0.00 H new ATOM 0 HB3 HIS A 893 -5.283 3.167 -6.777 1.00 0.00 H new ATOM 0 HD1 HIS A 893 -1.844 2.624 -7.628 1.00 0.00 H new ATOM 0 HD2 HIS A 893 -4.147 5.808 -6.076 1.00 0.00 H new ATOM 0 HE1 HIS A 893 -0.592 4.801 -8.122 1.00 0.00 H new ATOM 643 N TRP A 894 -6.876 2.184 -4.497 1.00 0.00 N ATOM 644 CA TRP A 894 -8.113 1.397 -4.439 1.00 0.00 C ATOM 645 C TRP A 894 -8.305 0.457 -5.663 1.00 0.00 C ATOM 646 O TRP A 894 -8.519 -0.747 -5.471 1.00 0.00 O ATOM 647 CB TRP A 894 -9.349 2.295 -4.233 1.00 0.00 C ATOM 648 CG TRP A 894 -9.548 2.787 -2.827 1.00 0.00 C ATOM 649 CD1 TRP A 894 -8.692 2.664 -1.769 1.00 0.00 C ATOM 650 CD2 TRP A 894 -10.707 3.455 -2.325 1.00 0.00 C ATOM 651 NE1 TRP A 894 -9.254 3.217 -0.641 1.00 0.00 N ATOM 652 CE2 TRP A 894 -10.488 3.711 -0.959 1.00 0.00 C ATOM 653 CE3 TRP A 894 -11.910 3.864 -2.902 1.00 0.00 C ATOM 654 CZ2 TRP A 894 -11.431 4.355 -0.164 1.00 0.00 C ATOM 655 CZ3 TRP A 894 -12.844 4.502 -2.114 1.00 0.00 C ATOM 656 CH2 TRP A 894 -12.599 4.742 -0.756 1.00 0.00 C ATOM 0 H TRP A 894 -7.011 3.183 -4.339 1.00 0.00 H new ATOM 0 HA TRP A 894 -8.010 0.750 -3.568 1.00 0.00 H new ATOM 0 HB2 TRP A 894 -9.268 3.157 -4.896 1.00 0.00 H new ATOM 0 HB3 TRP A 894 -10.237 1.741 -4.537 1.00 0.00 H new ATOM 0 HD1 TRP A 894 -7.717 2.201 -1.812 1.00 0.00 H new ATOM 0 HE1 TRP A 894 -8.820 3.252 0.282 1.00 0.00 H new ATOM 0 HE3 TRP A 894 -12.106 3.684 -3.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 -11.246 4.542 0.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 -13.779 4.822 -2.550 1.00 0.00 H new ATOM 0 HH2 TRP A 894 -13.350 5.244 -0.164 1.00 0.00 H new ATOM 667 N PRO A 895 -8.204 0.959 -6.937 1.00 0.00 N ATOM 668 CA PRO A 895 -8.371 0.113 -8.137 1.00 0.00 C ATOM 669 C PRO A 895 -7.336 -1.016 -8.260 1.00 0.00 C ATOM 670 O PRO A 895 -7.599 -2.035 -8.906 1.00 0.00 O ATOM 671 CB PRO A 895 -8.210 1.095 -9.310 1.00 0.00 C ATOM 672 CG PRO A 895 -7.499 2.263 -8.729 1.00 0.00 C ATOM 673 CD PRO A 895 -8.005 2.373 -7.329 1.00 0.00 C ATOM 0 HA PRO A 895 -9.332 -0.400 -8.104 1.00 0.00 H new ATOM 0 HB2 PRO A 895 -7.639 0.649 -10.124 1.00 0.00 H new ATOM 0 HB3 PRO A 895 -9.178 1.384 -9.720 1.00 0.00 H new ATOM 0 HG2 PRO A 895 -6.419 2.115 -8.747 1.00 0.00 H new ATOM 0 HG3 PRO A 895 -7.706 3.171 -9.295 1.00 0.00 H new ATOM 0 HD2 PRO A 895 -7.289 2.875 -6.679 1.00 0.00 H new ATOM 0 HD3 PRO A 895 -8.934 2.941 -7.279 1.00 0.00 H new ATOM 681 N CYS A 896 -6.196 -0.860 -7.612 1.00 0.00 N ATOM 682 CA CYS A 896 -5.115 -1.818 -7.737 1.00 0.00 C ATOM 683 C CYS A 896 -5.334 -3.032 -6.844 1.00 0.00 C ATOM 684 O CYS A 896 -4.859 -4.142 -7.130 1.00 0.00 O ATOM 685 CB CYS A 896 -3.808 -1.121 -7.382 1.00 0.00 C ATOM 686 SG CYS A 896 -3.492 0.362 -8.383 1.00 0.00 S ATOM 0 H CYS A 896 -5.995 -0.076 -6.992 1.00 0.00 H new ATOM 0 HA CYS A 896 -5.079 -2.182 -8.764 1.00 0.00 H new ATOM 0 HB2 CYS A 896 -3.827 -0.843 -6.328 1.00 0.00 H new ATOM 0 HB3 CYS A 896 -2.983 -1.822 -7.512 1.00 0.00 H new ATOM 0 HG CYS A 896 -2.210 0.544 -8.496 1.00 0.00 H new ATOM 691 N VAL A 897 -6.054 -2.823 -5.780 1.00 0.00 N ATOM 692 CA VAL A 897 -6.292 -3.867 -4.814 1.00 0.00 C ATOM 693 C VAL A 897 -7.758 -4.299 -4.784 1.00 0.00 C ATOM 694 O VAL A 897 -8.127 -5.253 -4.081 1.00 0.00 O ATOM 695 CB VAL A 897 -5.804 -3.447 -3.415 1.00 0.00 C ATOM 696 CG1 VAL A 897 -4.278 -3.412 -3.394 1.00 0.00 C ATOM 697 CG2 VAL A 897 -6.340 -2.068 -3.092 1.00 0.00 C ATOM 0 H VAL A 897 -6.493 -1.930 -5.554 1.00 0.00 H new ATOM 0 HA VAL A 897 -5.712 -4.735 -5.128 1.00 0.00 H new ATOM 0 HB VAL A 897 -6.161 -4.164 -2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 897 -3.934 -3.115 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 897 -3.888 -4.402 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 897 -3.920 -2.695 -4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 897 -5.997 -1.767 -2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 897 -5.980 -1.355 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 897 -7.430 -2.088 -3.107 1.00 0.00 H new ATOM 707 N GLY A 898 -8.584 -3.601 -5.535 1.00 0.00 N ATOM 708 CA GLY A 898 -9.968 -3.981 -5.664 1.00 0.00 C ATOM 709 C GLY A 898 -10.846 -3.428 -4.566 1.00 0.00 C ATOM 710 O GLY A 898 -11.706 -4.138 -4.032 1.00 0.00 O ATOM 0 H GLY A 898 -8.318 -2.770 -6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 898 -10.343 -3.637 -6.628 1.00 0.00 H new ATOM 0 HA3 GLY A 898 -10.040 -5.069 -5.664 1.00 0.00 H new ATOM 714 N ILE A 899 -10.633 -2.187 -4.205 1.00 0.00 N ATOM 715 CA ILE A 899 -11.468 -1.559 -3.204 1.00 0.00 C ATOM 716 C ILE A 899 -12.628 -0.875 -3.899 1.00 0.00 C ATOM 717 O ILE A 899 -12.449 0.131 -4.593 1.00 0.00 O ATOM 718 CB ILE A 899 -10.699 -0.525 -2.332 1.00 0.00 C ATOM 719 CG1 ILE A 899 -9.533 -1.181 -1.583 1.00 0.00 C ATOM 720 CG2 ILE A 899 -11.638 0.159 -1.345 1.00 0.00 C ATOM 721 CD1 ILE A 899 -9.934 -2.208 -0.547 1.00 0.00 C ATOM 0 H ILE A 899 -9.895 -1.593 -4.584 1.00 0.00 H new ATOM 0 HA ILE A 899 -11.818 -2.340 -2.529 1.00 0.00 H new ATOM 0 HB ILE A 899 -10.290 0.228 -3.005 1.00 0.00 H new ATOM 0 HG12 ILE A 899 -8.877 -1.658 -2.310 1.00 0.00 H new ATOM 0 HG13 ILE A 899 -8.951 -0.401 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 899 -11.077 0.877 -0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 899 -12.425 0.678 -1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 899 -12.084 -0.589 -0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 899 -9.041 -2.614 -0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 899 -10.563 -1.737 0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 899 -10.487 -3.014 -1.029 1.00 0.00 H new ATOM 733 N MET A 900 -13.796 -1.441 -3.754 1.00 0.00 N ATOM 734 CA MET A 900 -14.987 -0.892 -4.370 1.00 0.00 C ATOM 735 C MET A 900 -15.609 0.145 -3.450 1.00 0.00 C ATOM 736 O MET A 900 -16.311 1.049 -3.900 1.00 0.00 O ATOM 737 CB MET A 900 -16.006 -2.003 -4.721 1.00 0.00 C ATOM 738 CG MET A 900 -16.565 -2.768 -3.520 1.00 0.00 C ATOM 739 SD MET A 900 -17.714 -4.088 -3.984 1.00 0.00 S ATOM 740 CE MET A 900 -19.019 -3.158 -4.796 1.00 0.00 C ATOM 0 H MET A 900 -13.955 -2.290 -3.211 1.00 0.00 H new ATOM 0 HA MET A 900 -14.701 -0.410 -5.305 1.00 0.00 H new ATOM 0 HB2 MET A 900 -16.837 -1.555 -5.266 1.00 0.00 H new ATOM 0 HB3 MET A 900 -15.528 -2.714 -5.396 1.00 0.00 H new ATOM 0 HG2 MET A 900 -15.738 -3.198 -2.955 1.00 0.00 H new ATOM 0 HG3 MET A 900 -17.075 -2.068 -2.857 1.00 0.00 H new ATOM 0 HE1 MET A 900 -19.916 -3.773 -4.864 1.00 0.00 H new ATOM 0 HE2 MET A 900 -19.238 -2.259 -4.219 1.00 0.00 H new ATOM 0 HE3 MET A 900 -18.696 -2.876 -5.798 1.00 0.00 H new ATOM 750 N ALA A 901 -15.322 0.023 -2.167 1.00 0.00 N ATOM 751 CA ALA A 901 -15.817 0.918 -1.149 1.00 0.00 C ATOM 752 C ALA A 901 -14.957 0.724 0.062 1.00 0.00 C ATOM 753 O ALA A 901 -14.427 -0.380 0.244 1.00 0.00 O ATOM 754 CB ALA A 901 -17.276 0.616 -0.816 1.00 0.00 C ATOM 0 H ALA A 901 -14.725 -0.718 -1.801 1.00 0.00 H new ATOM 0 HA ALA A 901 -15.775 1.950 -1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 901 -17.624 1.305 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 901 -17.886 0.735 -1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 901 -17.362 -0.408 -0.452 1.00 0.00 H new ATOM 760 N ALA A 902 -14.785 1.777 0.846 1.00 0.00 N ATOM 761 CA ALA A 902 -13.965 1.760 2.060 1.00 0.00 C ATOM 762 C ALA A 902 -14.316 0.570 2.970 1.00 0.00 C ATOM 763 O ALA A 902 -15.418 0.510 3.537 1.00 0.00 O ATOM 764 CB ALA A 902 -14.138 3.067 2.814 1.00 0.00 C ATOM 0 H ALA A 902 -15.215 2.683 0.659 1.00 0.00 H new ATOM 0 HA ALA A 902 -12.923 1.646 1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -13.527 3.050 3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -13.826 3.897 2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -15.185 3.193 3.088 1.00 0.00 H new ATOM 770 N PRO A 903 -13.399 -0.409 3.085 1.00 0.00 N ATOM 771 CA PRO A 903 -13.606 -1.600 3.905 1.00 0.00 C ATOM 772 C PRO A 903 -13.521 -1.289 5.410 1.00 0.00 C ATOM 773 O PRO A 903 -12.941 -0.259 5.813 1.00 0.00 O ATOM 774 CB PRO A 903 -12.449 -2.521 3.483 1.00 0.00 C ATOM 775 CG PRO A 903 -11.379 -1.591 3.045 1.00 0.00 C ATOM 776 CD PRO A 903 -12.090 -0.439 2.395 1.00 0.00 C ATOM 0 HA PRO A 903 -14.594 -2.036 3.757 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -12.117 -3.147 4.311 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -12.748 -3.191 2.677 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -10.780 -1.255 3.892 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -10.698 -2.077 2.346 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -11.545 0.496 2.527 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -12.205 -0.592 1.322 1.00 0.00 H new ATOM 845 N GLN A 908 -8.757 -6.972 9.012 1.00 0.00 N ATOM 846 CA GLN A 908 -7.412 -6.734 8.553 1.00 0.00 C ATOM 847 C GLN A 908 -7.358 -6.756 7.038 1.00 0.00 C ATOM 848 O GLN A 908 -8.079 -7.526 6.379 1.00 0.00 O ATOM 849 CB GLN A 908 -6.420 -7.738 9.138 1.00 0.00 C ATOM 850 CG GLN A 908 -6.775 -9.196 8.890 1.00 0.00 C ATOM 851 CD GLN A 908 -5.676 -10.160 9.299 1.00 0.00 C ATOM 852 OE1 GLN A 908 -4.848 -9.776 10.240 1.00 0.00 O flip ATOM 853 NE2 GLN A 908 -5.548 -11.241 8.726 1.00 0.00 N flip ATOM 0 HA GLN A 908 -7.118 -5.745 8.905 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -5.434 -7.541 8.718 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -6.347 -7.573 10.213 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -7.685 -9.439 9.439 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -6.994 -9.334 7.831 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -6.208 -11.513 7.997 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -4.782 -11.865 8.980 1.00 0.00 H new ATOM 862 N TRP A 909 -6.530 -5.929 6.501 1.00 0.00 N ATOM 863 CA TRP A 909 -6.368 -5.811 5.085 1.00 0.00 C ATOM 864 C TRP A 909 -4.896 -5.883 4.759 1.00 0.00 C ATOM 865 O TRP A 909 -4.082 -5.214 5.410 1.00 0.00 O ATOM 866 CB TRP A 909 -6.959 -4.473 4.596 1.00 0.00 C ATOM 867 CG TRP A 909 -6.851 -4.256 3.113 1.00 0.00 C ATOM 868 CD1 TRP A 909 -7.783 -4.572 2.171 1.00 0.00 C ATOM 869 CD2 TRP A 909 -5.744 -3.676 2.405 1.00 0.00 C ATOM 870 NE1 TRP A 909 -7.322 -4.231 0.920 1.00 0.00 N ATOM 871 CE2 TRP A 909 -6.069 -3.679 1.044 1.00 0.00 C ATOM 872 CE3 TRP A 909 -4.508 -3.155 2.797 1.00 0.00 C ATOM 873 CZ2 TRP A 909 -5.209 -3.190 0.082 1.00 0.00 C ATOM 874 CZ3 TRP A 909 -3.654 -2.668 1.833 1.00 0.00 C ATOM 875 CH2 TRP A 909 -4.010 -2.689 0.491 1.00 0.00 C ATOM 0 H TRP A 909 -5.933 -5.302 7.040 1.00 0.00 H new ATOM 0 HA TRP A 909 -6.895 -6.622 4.582 1.00 0.00 H new ATOM 0 HB2 TRP A 909 -8.010 -4.427 4.883 1.00 0.00 H new ATOM 0 HB3 TRP A 909 -6.452 -3.656 5.109 1.00 0.00 H new ATOM 0 HD1 TRP A 909 -8.742 -5.024 2.376 1.00 0.00 H new ATOM 0 HE1 TRP A 909 -7.827 -4.366 0.044 1.00 0.00 H new ATOM 0 HE3 TRP A 909 -4.227 -3.135 3.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 -5.478 -3.204 -0.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 -2.695 -2.265 2.124 1.00 0.00 H new ATOM 0 HH2 TRP A 909 -3.321 -2.300 -0.244 1.00 0.00 H new ATOM 886 N PHE A 910 -4.552 -6.700 3.787 1.00 0.00 N ATOM 887 CA PHE A 910 -3.187 -6.821 3.343 1.00 0.00 C ATOM 888 C PHE A 910 -3.125 -6.776 1.833 1.00 0.00 C ATOM 889 O PHE A 910 -3.961 -7.381 1.133 1.00 0.00 O ATOM 890 CB PHE A 910 -2.498 -8.092 3.884 1.00 0.00 C ATOM 891 CG PHE A 910 -2.357 -8.112 5.381 1.00 0.00 C ATOM 892 CD1 PHE A 910 -1.442 -7.284 6.018 1.00 0.00 C ATOM 893 CD2 PHE A 910 -3.149 -8.935 6.153 1.00 0.00 C ATOM 894 CE1 PHE A 910 -1.329 -7.285 7.395 1.00 0.00 C ATOM 895 CE2 PHE A 910 -3.038 -8.934 7.525 1.00 0.00 C ATOM 896 CZ PHE A 910 -2.129 -8.111 8.146 1.00 0.00 C ATOM 0 H PHE A 910 -5.211 -7.296 3.286 1.00 0.00 H new ATOM 0 HA PHE A 910 -2.637 -5.973 3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 910 -3.069 -8.966 3.570 1.00 0.00 H new ATOM 0 HB3 PHE A 910 -1.509 -8.178 3.434 1.00 0.00 H new ATOM 0 HD1 PHE A 910 -0.812 -6.632 5.431 1.00 0.00 H new ATOM 0 HD2 PHE A 910 -3.865 -9.588 5.676 1.00 0.00 H new ATOM 0 HE1 PHE A 910 -0.613 -6.638 7.880 1.00 0.00 H new ATOM 0 HE2 PHE A 910 -3.668 -9.583 8.116 1.00 0.00 H new ATOM 0 HZ PHE A 910 -2.044 -8.114 9.223 1.00 0.00 H new ATOM 906 N CYS A 911 -2.158 -6.061 1.349 1.00 0.00 N ATOM 907 CA CYS A 911 -1.912 -5.856 -0.042 1.00 0.00 C ATOM 908 C CYS A 911 -1.329 -7.124 -0.681 1.00 0.00 C ATOM 909 O CYS A 911 -0.990 -8.084 0.024 1.00 0.00 O ATOM 910 CB CYS A 911 -0.877 -4.745 -0.089 1.00 0.00 C ATOM 911 SG CYS A 911 0.520 -5.079 1.010 1.00 0.00 S ATOM 0 H CYS A 911 -1.485 -5.580 1.946 1.00 0.00 H new ATOM 0 HA CYS A 911 -2.825 -5.611 -0.584 1.00 0.00 H new ATOM 0 HB2 CYS A 911 -0.516 -4.628 -1.111 1.00 0.00 H new ATOM 0 HB3 CYS A 911 -1.344 -3.801 0.194 1.00 0.00 H new ATOM 0 HG CYS A 911 0.228 -4.686 2.214 1.00 0.00 H new ATOM 916 N PRO A 912 -1.192 -7.148 -2.025 1.00 0.00 N ATOM 917 CA PRO A 912 -0.486 -8.226 -2.741 1.00 0.00 C ATOM 918 C PRO A 912 0.974 -8.373 -2.255 1.00 0.00 C ATOM 919 O PRO A 912 1.616 -9.391 -2.485 1.00 0.00 O ATOM 920 CB PRO A 912 -0.513 -7.755 -4.211 1.00 0.00 C ATOM 921 CG PRO A 912 -0.885 -6.307 -4.151 1.00 0.00 C ATOM 922 CD PRO A 912 -1.775 -6.180 -2.970 1.00 0.00 C ATOM 0 HA PRO A 912 -0.950 -9.200 -2.584 1.00 0.00 H new ATOM 0 HB2 PRO A 912 0.458 -7.893 -4.687 1.00 0.00 H new ATOM 0 HB3 PRO A 912 -1.237 -8.324 -4.794 1.00 0.00 H new ATOM 0 HG2 PRO A 912 -0.001 -5.678 -4.047 1.00 0.00 H new ATOM 0 HG3 PRO A 912 -1.394 -5.993 -5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 912 -1.772 -5.167 -2.567 1.00 0.00 H new ATOM 0 HD3 PRO A 912 -2.809 -6.423 -3.213 1.00 0.00 H new ATOM 930 N LYS A 913 1.462 -7.355 -1.562 1.00 0.00 N ATOM 931 CA LYS A 913 2.802 -7.333 -1.024 1.00 0.00 C ATOM 932 C LYS A 913 2.877 -8.123 0.279 1.00 0.00 C ATOM 933 O LYS A 913 3.675 -9.042 0.410 1.00 0.00 O ATOM 934 CB LYS A 913 3.233 -5.894 -0.760 1.00 0.00 C ATOM 935 CG LYS A 913 3.436 -5.025 -1.998 1.00 0.00 C ATOM 936 CD LYS A 913 4.689 -5.410 -2.777 1.00 0.00 C ATOM 937 CE LYS A 913 5.948 -5.323 -1.904 1.00 0.00 C ATOM 938 NZ LYS A 913 6.107 -3.989 -1.275 1.00 0.00 N ATOM 0 H LYS A 913 0.926 -6.512 -1.358 1.00 0.00 H new ATOM 0 HA LYS A 913 3.468 -7.791 -1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 913 2.484 -5.421 -0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 913 4.165 -5.911 -0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 913 2.565 -5.114 -2.648 1.00 0.00 H new ATOM 0 HG3 LYS A 913 3.505 -3.979 -1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 913 4.582 -6.424 -3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 913 4.798 -4.753 -3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 913 5.901 -6.085 -1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 913 6.825 -5.542 -2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 7.041 -3.928 -0.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 6.026 -3.250 -2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 5.366 -3.852 -0.558 1.00 0.00 H new ATOM 952 N CYS A 914 2.039 -7.777 1.231 1.00 0.00 N ATOM 953 CA CYS A 914 2.083 -8.416 2.523 1.00 0.00 C ATOM 954 C CYS A 914 1.287 -9.707 2.605 1.00 0.00 C ATOM 955 O CYS A 914 1.582 -10.567 3.432 1.00 0.00 O ATOM 956 CB CYS A 914 1.738 -7.437 3.616 1.00 0.00 C ATOM 957 SG CYS A 914 2.930 -6.081 3.712 1.00 0.00 S ATOM 0 H CYS A 914 1.322 -7.059 1.133 1.00 0.00 H new ATOM 0 HA CYS A 914 3.114 -8.735 2.677 1.00 0.00 H new ATOM 0 HB2 CYS A 914 0.742 -7.032 3.439 1.00 0.00 H new ATOM 0 HB3 CYS A 914 1.704 -7.959 4.573 1.00 0.00 H new ATOM 0 HG CYS A 914 2.508 -5.081 2.996 1.00 0.00 H new ATOM 962 N ALA A 915 0.316 -9.879 1.739 1.00 0.00 N ATOM 963 CA ALA A 915 -0.399 -11.143 1.694 1.00 0.00 C ATOM 964 C ALA A 915 0.514 -12.203 1.104 1.00 0.00 C ATOM 965 O ALA A 915 0.342 -13.394 1.335 1.00 0.00 O ATOM 966 CB ALA A 915 -1.663 -11.029 0.891 1.00 0.00 C ATOM 0 H ALA A 915 0.004 -9.178 1.067 1.00 0.00 H new ATOM 0 HA ALA A 915 -0.685 -11.424 2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 915 -2.174 -11.992 0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 915 -2.314 -10.280 1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 915 -1.420 -10.733 -0.129 1.00 0.00 H new ATOM 972 N ASN A 916 1.504 -11.730 0.361 1.00 0.00 N ATOM 973 CA ASN A 916 2.550 -12.558 -0.221 1.00 0.00 C ATOM 974 C ASN A 916 3.410 -13.132 0.910 1.00 0.00 C ATOM 975 O ASN A 916 3.848 -14.277 0.853 1.00 0.00 O ATOM 976 CB ASN A 916 3.408 -11.693 -1.152 1.00 0.00 C ATOM 977 CG ASN A 916 4.533 -12.418 -1.867 1.00 0.00 C ATOM 978 OD1 ASN A 916 5.599 -11.833 -2.102 1.00 0.00 O ATOM 979 ND2 ASN A 916 4.307 -13.636 -2.269 1.00 0.00 N ATOM 0 H ASN A 916 1.605 -10.739 0.141 1.00 0.00 H new ATOM 0 HA ASN A 916 2.116 -13.377 -0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 916 2.757 -11.241 -1.901 1.00 0.00 H new ATOM 0 HB3 ASN A 916 3.837 -10.878 -0.569 1.00 0.00 H new ATOM 0 HD21 ASN A 916 5.020 -14.140 -2.796 1.00 0.00 H new ATOM 0 HD22 ASN A 916 3.417 -14.086 -2.057 1.00 0.00 H new ATOM 986 N LYS A 917 3.604 -12.319 1.947 1.00 0.00 N ATOM 987 CA LYS A 917 4.358 -12.707 3.144 1.00 0.00 C ATOM 988 C LYS A 917 3.608 -13.809 3.879 1.00 0.00 C ATOM 989 O LYS A 917 4.179 -14.845 4.233 1.00 0.00 O ATOM 990 CB LYS A 917 4.502 -11.504 4.083 1.00 0.00 C ATOM 991 CG LYS A 917 5.272 -10.320 3.517 1.00 0.00 C ATOM 992 CD LYS A 917 5.147 -9.115 4.439 1.00 0.00 C ATOM 993 CE LYS A 917 5.936 -7.923 3.930 1.00 0.00 C ATOM 994 NZ LYS A 917 5.607 -6.690 4.674 1.00 0.00 N ATOM 0 H LYS A 917 3.241 -11.366 1.983 1.00 0.00 H new ATOM 0 HA LYS A 917 5.345 -13.059 2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 917 3.506 -11.165 4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 917 4.998 -11.835 4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 917 6.322 -10.586 3.396 1.00 0.00 H new ATOM 0 HG3 LYS A 917 4.890 -10.070 2.527 1.00 0.00 H new ATOM 0 HD2 LYS A 917 4.097 -8.840 4.535 1.00 0.00 H new ATOM 0 HD3 LYS A 917 5.499 -9.383 5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 917 7.003 -8.128 4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 917 5.728 -7.775 2.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 6.371 -5.996 4.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 4.717 -6.293 4.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 5.501 -6.912 5.684 1.00 0.00 H new ATOM 1008 N ILE A 918 2.312 -13.569 4.090 1.00 0.00 N ATOM 1009 CA ILE A 918 1.417 -14.517 4.772 1.00 0.00 C ATOM 1010 C ILE A 918 1.365 -15.814 3.975 1.00 0.00 C ATOM 1011 O ILE A 918 1.391 -16.926 4.531 1.00 0.00 O ATOM 1012 CB ILE A 918 -0.047 -13.968 4.830 1.00 0.00 C ATOM 1013 CG1 ILE A 918 -0.105 -12.521 5.362 1.00 0.00 C ATOM 1014 CG2 ILE A 918 -0.945 -14.884 5.664 1.00 0.00 C ATOM 1015 CD1 ILE A 918 0.443 -12.329 6.752 1.00 0.00 C ATOM 0 H ILE A 918 1.849 -12.710 3.793 1.00 0.00 H new ATOM 0 HA ILE A 918 1.801 -14.670 5.781 1.00 0.00 H new ATOM 0 HB ILE A 918 -0.421 -13.954 3.806 1.00 0.00 H new ATOM 0 HG12 ILE A 918 0.447 -11.877 4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 918 -1.142 -12.186 5.348 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -1.957 -14.479 5.688 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -0.963 -15.879 5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -0.556 -14.948 6.680 1.00 0.00 H new ATOM 0 HD11 ILE A 918 0.358 -11.280 7.035 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -0.123 -12.941 7.454 1.00 0.00 H new ATOM 0 HD13 ILE A 918 1.491 -12.627 6.774 1.00 0.00 H new