USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 870 CYS SG : rot -149:sc= 1.79 USER MOD Set 1.2: A 873 CYS SG : rot -80:sc= -0.673 USER MOD Set 1.3: A 882 MET CE :methyl -156:sc= -0.798 (180deg=-1.96) USER MOD Set 1.4: A 893 HIS : no HE2:sc= -0.924 K(o=-4,f=-7.7!) USER MOD Set 1.5: A 896 CYS SG : rot -146:sc= -3.43! USER MOD Set 2.1: A 885 CYS SG : rot 150:sc= 0.109 USER MOD Set 2.2: A 888 CYS SG : rot 77:sc= 0.72 USER MOD Set 2.3: A 892 TYR OH : rot 59:sc= 0.0969 USER MOD Set 2.4: A 911 CYS SG : rot -134:sc= -0.31! USER MOD Set 2.5: A 914 CYS SG : rot 105:sc= 1.21 USER MOD Set 2.6: A 917 LYS NZ :NH3+ -166:sc= 1.17 (180deg=0) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 866 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 874 ASN : amide:sc= -0.216 K(o=-0.22,f=-1.1) USER MOD Single : A 875 LYS NZ :NH3+ 178:sc= -0.182 (180deg=-0.187) USER MOD Single : A 880 SER OG : rot 180:sc= 0 USER MOD Single : A 900 MET CE :methyl -162:sc= -0.157 (180deg=-0.607) USER MOD Single : A 908 GLN : amide:sc= 1.21 K(o=1.2,f=-0.0062) USER MOD Single : A 913 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 916 ASN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 857 9.421 4.043 -3.829 1.00 0.00 N ATOM 93 CA TYR A 857 8.037 4.256 -4.279 1.00 0.00 C ATOM 94 C TYR A 857 7.520 5.516 -3.629 1.00 0.00 C ATOM 95 O TYR A 857 6.334 5.697 -3.398 1.00 0.00 O ATOM 96 CB TYR A 857 7.143 3.023 -3.974 1.00 0.00 C ATOM 97 CG TYR A 857 7.539 1.792 -4.757 1.00 0.00 C ATOM 98 CD1 TYR A 857 8.567 0.969 -4.326 1.00 0.00 C ATOM 99 CD2 TYR A 857 6.904 1.473 -5.941 1.00 0.00 C ATOM 100 CE1 TYR A 857 8.944 -0.133 -5.048 1.00 0.00 C ATOM 101 CE2 TYR A 857 7.277 0.373 -6.675 1.00 0.00 C ATOM 102 CZ TYR A 857 8.298 -0.427 -6.224 1.00 0.00 C ATOM 103 OH TYR A 857 8.688 -1.514 -6.960 1.00 0.00 O ATOM 0 HA TYR A 857 8.011 4.376 -5.362 1.00 0.00 H new ATOM 0 HB2 TYR A 857 7.194 2.800 -2.908 1.00 0.00 H new ATOM 0 HB3 TYR A 857 6.105 3.270 -4.198 1.00 0.00 H new ATOM 0 HD1 TYR A 857 9.080 1.200 -3.404 1.00 0.00 H new ATOM 0 HD2 TYR A 857 6.099 2.100 -6.297 1.00 0.00 H new ATOM 0 HE1 TYR A 857 9.744 -0.766 -4.695 1.00 0.00 H new ATOM 0 HE2 TYR A 857 6.771 0.139 -7.600 1.00 0.00 H new ATOM 0 HH TYR A 857 8.130 -1.583 -7.762 1.00 0.00 H new ATOM 113 N VAL A 858 8.453 6.406 -3.387 1.00 0.00 N ATOM 114 CA VAL A 858 8.209 7.653 -2.725 1.00 0.00 C ATOM 115 C VAL A 858 8.858 8.772 -3.524 1.00 0.00 C ATOM 116 O VAL A 858 10.066 8.744 -3.783 1.00 0.00 O ATOM 117 CB VAL A 858 8.810 7.648 -1.281 1.00 0.00 C ATOM 118 CG1 VAL A 858 8.581 8.984 -0.581 1.00 0.00 C ATOM 119 CG2 VAL A 858 8.229 6.515 -0.441 1.00 0.00 C ATOM 0 H VAL A 858 9.428 6.273 -3.655 1.00 0.00 H new ATOM 0 HA VAL A 858 7.132 7.804 -2.654 1.00 0.00 H new ATOM 0 HB VAL A 858 9.883 7.488 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 858 9.010 8.948 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 858 9.058 9.780 -1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 858 7.511 9.179 -0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 858 8.668 6.540 0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 858 7.148 6.635 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 858 8.455 5.559 -0.913 1.00 0.00 H new ATOM 129 N ILE A 859 8.069 9.704 -3.953 1.00 0.00 N ATOM 130 CA ILE A 859 8.560 10.876 -4.646 1.00 0.00 C ATOM 131 C ILE A 859 8.136 12.053 -3.802 1.00 0.00 C ATOM 132 O ILE A 859 7.173 11.939 -3.058 1.00 0.00 O ATOM 133 CB ILE A 859 7.925 11.021 -6.077 1.00 0.00 C ATOM 134 CG1 ILE A 859 8.086 9.718 -6.872 1.00 0.00 C ATOM 135 CG2 ILE A 859 8.570 12.181 -6.846 1.00 0.00 C ATOM 136 CD1 ILE A 859 7.463 9.755 -8.258 1.00 0.00 C ATOM 0 H ILE A 859 7.056 9.683 -3.837 1.00 0.00 H new ATOM 0 HA ILE A 859 9.640 10.810 -4.781 1.00 0.00 H new ATOM 0 HB ILE A 859 6.863 11.232 -5.952 1.00 0.00 H new ATOM 0 HG12 ILE A 859 9.148 9.493 -6.969 1.00 0.00 H new ATOM 0 HG13 ILE A 859 7.638 8.902 -6.306 1.00 0.00 H new ATOM 0 HG21 ILE A 859 8.114 12.261 -7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 859 8.416 13.111 -6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 859 9.639 11.996 -6.954 1.00 0.00 H new ATOM 0 HD11 ILE A 859 7.621 8.797 -8.753 1.00 0.00 H new ATOM 0 HD12 ILE A 859 6.394 9.947 -8.171 1.00 0.00 H new ATOM 0 HD13 ILE A 859 7.928 10.548 -8.845 1.00 0.00 H new ATOM 148 N ARG A 860 8.841 13.135 -3.836 1.00 0.00 N ATOM 149 CA ARG A 860 8.383 14.282 -3.130 1.00 0.00 C ATOM 150 C ARG A 860 7.792 15.252 -4.101 1.00 0.00 C ATOM 151 O ARG A 860 8.306 15.446 -5.206 1.00 0.00 O ATOM 152 CB ARG A 860 9.472 14.971 -2.331 1.00 0.00 C ATOM 153 CG ARG A 860 10.127 14.123 -1.269 1.00 0.00 C ATOM 154 CD ARG A 860 11.154 14.944 -0.538 1.00 0.00 C ATOM 155 NE ARG A 860 11.943 14.169 0.409 1.00 0.00 N ATOM 156 CZ ARG A 860 12.687 14.694 1.376 1.00 0.00 C ATOM 157 NH1 ARG A 860 12.534 15.964 1.717 1.00 0.00 N ATOM 158 NH2 ARG A 860 13.524 13.931 2.055 1.00 0.00 N ATOM 0 H ARG A 860 9.722 13.248 -4.337 1.00 0.00 H new ATOM 0 HA ARG A 860 7.637 13.938 -2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 860 10.241 15.319 -3.021 1.00 0.00 H new ATOM 0 HB3 ARG A 860 9.047 15.855 -1.856 1.00 0.00 H new ATOM 0 HG2 ARG A 860 9.377 13.752 -0.570 1.00 0.00 H new ATOM 0 HG3 ARG A 860 10.598 13.251 -1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 860 11.822 15.407 -1.264 1.00 0.00 H new ATOM 0 HD3 ARG A 860 10.652 15.752 -0.006 1.00 0.00 H new ATOM 0 HE ARG A 860 11.923 13.153 0.324 1.00 0.00 H new ATOM 0 HH11 ARG A 860 11.844 16.541 1.237 1.00 0.00 H new ATOM 0 HH12 ARG A 860 13.106 16.365 2.460 1.00 0.00 H new ATOM 0 HH21 ARG A 860 13.600 12.937 1.837 1.00 0.00 H new ATOM 0 HH22 ARG A 860 14.095 14.335 2.797 1.00 0.00 H new ATOM 172 N ASP A 861 6.702 15.803 -3.708 1.00 0.00 N ATOM 173 CA ASP A 861 6.025 16.848 -4.434 1.00 0.00 C ATOM 174 C ASP A 861 6.830 18.136 -4.295 1.00 0.00 C ATOM 175 O ASP A 861 7.783 18.200 -3.503 1.00 0.00 O ATOM 176 CB ASP A 861 4.603 17.011 -3.863 1.00 0.00 C ATOM 177 CG ASP A 861 3.858 18.222 -4.357 1.00 0.00 C ATOM 178 OD1 ASP A 861 3.507 18.279 -5.534 1.00 0.00 O ATOM 179 OD2 ASP A 861 3.695 19.170 -3.583 1.00 0.00 O ATOM 0 H ASP A 861 6.229 15.539 -2.844 1.00 0.00 H new ATOM 0 HA ASP A 861 5.943 16.601 -5.492 1.00 0.00 H new ATOM 0 HB2 ASP A 861 4.024 16.121 -4.109 1.00 0.00 H new ATOM 0 HB3 ASP A 861 4.667 17.060 -2.776 1.00 0.00 H new ATOM 184 N GLU A 862 6.442 19.141 -5.007 1.00 0.00 N ATOM 185 CA GLU A 862 7.141 20.408 -5.014 1.00 0.00 C ATOM 186 C GLU A 862 6.989 21.118 -3.669 1.00 0.00 C ATOM 187 O GLU A 862 7.868 21.851 -3.248 1.00 0.00 O ATOM 188 CB GLU A 862 6.661 21.278 -6.165 1.00 0.00 C ATOM 189 CG GLU A 862 6.745 20.568 -7.502 1.00 0.00 C ATOM 190 CD GLU A 862 6.530 21.481 -8.670 1.00 0.00 C ATOM 191 OE1 GLU A 862 5.369 21.761 -9.036 1.00 0.00 O ATOM 192 OE2 GLU A 862 7.530 21.917 -9.283 1.00 0.00 O ATOM 0 H GLU A 862 5.621 19.118 -5.612 1.00 0.00 H new ATOM 0 HA GLU A 862 8.204 20.217 -5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 862 5.630 21.581 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 862 7.259 22.189 -6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 862 7.723 20.095 -7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 862 6.002 19.771 -7.530 1.00 0.00 H new ATOM 199 N TRP A 863 5.883 20.845 -2.982 1.00 0.00 N ATOM 200 CA TRP A 863 5.637 21.386 -1.641 1.00 0.00 C ATOM 201 C TRP A 863 6.523 20.628 -0.633 1.00 0.00 C ATOM 202 O TRP A 863 6.889 21.143 0.416 1.00 0.00 O ATOM 203 CB TRP A 863 4.140 21.192 -1.286 1.00 0.00 C ATOM 204 CG TRP A 863 3.665 21.809 0.012 1.00 0.00 C ATOM 205 CD1 TRP A 863 3.836 21.325 1.278 1.00 0.00 C ATOM 206 CD2 TRP A 863 2.883 23.000 0.153 1.00 0.00 C ATOM 207 NE1 TRP A 863 3.239 22.160 2.189 1.00 0.00 N ATOM 208 CE2 TRP A 863 2.646 23.191 1.527 1.00 0.00 C ATOM 209 CE3 TRP A 863 2.375 23.924 -0.746 1.00 0.00 C ATOM 210 CZ2 TRP A 863 1.919 24.272 2.013 1.00 0.00 C ATOM 211 CZ3 TRP A 863 1.651 24.996 -0.266 1.00 0.00 C ATOM 212 CH2 TRP A 863 1.431 25.161 1.103 1.00 0.00 C ATOM 0 H TRP A 863 5.135 20.247 -3.333 1.00 0.00 H new ATOM 0 HA TRP A 863 5.877 22.449 -1.607 1.00 0.00 H new ATOM 0 HB2 TRP A 863 3.541 21.604 -2.098 1.00 0.00 H new ATOM 0 HB3 TRP A 863 3.934 20.122 -1.250 1.00 0.00 H new ATOM 0 HD1 TRP A 863 4.365 20.416 1.526 1.00 0.00 H new ATOM 0 HE1 TRP A 863 3.240 22.029 3.201 1.00 0.00 H new ATOM 0 HE3 TRP A 863 2.543 23.807 -1.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 1.748 24.402 3.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 1.248 25.719 -0.960 1.00 0.00 H new ATOM 0 HH2 TRP A 863 0.862 26.012 1.448 1.00 0.00 H new ATOM 223 N GLY A 864 6.903 19.419 -1.007 1.00 0.00 N ATOM 224 CA GLY A 864 7.667 18.557 -0.132 1.00 0.00 C ATOM 225 C GLY A 864 6.818 17.417 0.390 1.00 0.00 C ATOM 226 O GLY A 864 7.266 16.608 1.215 1.00 0.00 O ATOM 0 H GLY A 864 6.691 19.013 -1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 864 8.526 18.157 -0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 864 8.057 19.137 0.705 1.00 0.00 H new ATOM 230 N ASN A 865 5.595 17.364 -0.091 1.00 0.00 N ATOM 231 CA ASN A 865 4.640 16.318 0.277 1.00 0.00 C ATOM 232 C ASN A 865 5.071 14.997 -0.310 1.00 0.00 C ATOM 233 O ASN A 865 5.701 14.968 -1.363 1.00 0.00 O ATOM 234 CB ASN A 865 3.226 16.672 -0.218 1.00 0.00 C ATOM 235 CG ASN A 865 2.626 17.863 0.496 1.00 0.00 C ATOM 236 OD1 ASN A 865 2.896 18.103 1.665 1.00 0.00 O ATOM 237 ND2 ASN A 865 1.833 18.633 -0.200 1.00 0.00 N ATOM 0 H ASN A 865 5.224 18.045 -0.753 1.00 0.00 H new ATOM 0 HA ASN A 865 4.618 16.240 1.364 1.00 0.00 H new ATOM 0 HB2 ASN A 865 3.264 16.879 -1.288 1.00 0.00 H new ATOM 0 HB3 ASN A 865 2.574 15.809 -0.083 1.00 0.00 H new ATOM 0 HD21 ASN A 865 1.420 19.461 0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 865 1.627 18.406 -1.173 1.00 0.00 H new ATOM 244 N GLN A 866 4.768 13.916 0.352 1.00 0.00 N ATOM 245 CA GLN A 866 5.146 12.621 -0.158 1.00 0.00 C ATOM 246 C GLN A 866 4.147 12.089 -1.145 1.00 0.00 C ATOM 247 O GLN A 866 2.947 12.042 -0.888 1.00 0.00 O ATOM 248 CB GLN A 866 5.397 11.602 0.944 1.00 0.00 C ATOM 249 CG GLN A 866 6.635 11.889 1.763 1.00 0.00 C ATOM 250 CD GLN A 866 6.911 10.840 2.830 1.00 0.00 C ATOM 251 OE1 GLN A 866 6.550 9.602 2.564 1.00 0.00 O flip ATOM 252 NE2 GLN A 866 7.467 11.141 3.884 1.00 0.00 N flip ATOM 0 H GLN A 866 4.265 13.901 1.239 1.00 0.00 H new ATOM 0 HA GLN A 866 6.091 12.777 -0.679 1.00 0.00 H new ATOM 0 HB2 GLN A 866 4.532 11.575 1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 866 5.488 10.612 0.498 1.00 0.00 H new ATOM 0 HG2 GLN A 866 7.495 11.954 1.097 1.00 0.00 H new ATOM 0 HG3 GLN A 866 6.528 12.863 2.241 1.00 0.00 H new ATOM 0 HE21 GLN A 866 7.735 12.109 4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 866 7.661 10.423 4.582 1.00 0.00 H new ATOM 261 N ILE A 867 4.653 11.731 -2.268 1.00 0.00 N ATOM 262 CA ILE A 867 3.900 11.105 -3.299 1.00 0.00 C ATOM 263 C ILE A 867 4.164 9.637 -3.187 1.00 0.00 C ATOM 264 O ILE A 867 5.315 9.188 -3.321 1.00 0.00 O ATOM 265 CB ILE A 867 4.338 11.570 -4.699 1.00 0.00 C ATOM 266 CG1 ILE A 867 4.162 13.075 -4.871 1.00 0.00 C ATOM 267 CG2 ILE A 867 3.569 10.819 -5.784 1.00 0.00 C ATOM 268 CD1 ILE A 867 2.732 13.539 -4.772 1.00 0.00 C ATOM 0 H ILE A 867 5.635 11.869 -2.506 1.00 0.00 H new ATOM 0 HA ILE A 867 2.847 11.359 -3.182 1.00 0.00 H new ATOM 0 HB ILE A 867 5.399 11.343 -4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 867 4.753 13.589 -4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 867 4.562 13.369 -5.841 1.00 0.00 H new ATOM 0 HG21 ILE A 867 3.895 11.164 -6.765 1.00 0.00 H new ATOM 0 HG22 ILE A 867 3.761 9.750 -5.693 1.00 0.00 H new ATOM 0 HG23 ILE A 867 2.501 11.007 -5.669 1.00 0.00 H new ATOM 0 HD11 ILE A 867 2.690 14.620 -4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 867 2.138 13.055 -5.547 1.00 0.00 H new ATOM 0 HD13 ILE A 867 2.332 13.278 -3.792 1.00 0.00 H new ATOM 280 N TRP A 868 3.149 8.915 -2.925 1.00 0.00 N ATOM 281 CA TRP A 868 3.264 7.498 -2.742 1.00 0.00 C ATOM 282 C TRP A 868 2.986 6.797 -4.035 1.00 0.00 C ATOM 283 O TRP A 868 2.073 7.181 -4.776 1.00 0.00 O ATOM 284 CB TRP A 868 2.293 7.004 -1.676 1.00 0.00 C ATOM 285 CG TRP A 868 2.505 7.614 -0.325 1.00 0.00 C ATOM 286 CD1 TRP A 868 3.451 7.265 0.601 1.00 0.00 C ATOM 287 CD2 TRP A 868 1.741 8.672 0.260 1.00 0.00 C ATOM 288 NE1 TRP A 868 3.320 8.054 1.723 1.00 0.00 N ATOM 289 CE2 TRP A 868 2.278 8.921 1.535 1.00 0.00 C ATOM 290 CE3 TRP A 868 0.655 9.435 -0.177 1.00 0.00 C ATOM 291 CZ2 TRP A 868 1.766 9.898 2.375 1.00 0.00 C ATOM 292 CZ3 TRP A 868 0.148 10.403 0.662 1.00 0.00 C ATOM 293 CH2 TRP A 868 0.707 10.625 1.923 1.00 0.00 C ATOM 0 H TRP A 868 2.201 9.278 -2.827 1.00 0.00 H new ATOM 0 HA TRP A 868 4.280 7.277 -2.413 1.00 0.00 H new ATOM 0 HB2 TRP A 868 1.274 7.215 -2.002 1.00 0.00 H new ATOM 0 HB3 TRP A 868 2.383 5.921 -1.592 1.00 0.00 H new ATOM 0 HD1 TRP A 868 4.189 6.488 0.471 1.00 0.00 H new ATOM 0 HE1 TRP A 868 3.904 8.001 2.557 1.00 0.00 H new ATOM 0 HE3 TRP A 868 0.222 9.269 -1.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 2.191 10.076 3.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -0.694 10.999 0.340 1.00 0.00 H new ATOM 0 HH2 TRP A 868 0.288 11.393 2.556 1.00 0.00 H new ATOM 304 N ILE A 869 3.793 5.839 -4.337 1.00 0.00 N ATOM 305 CA ILE A 869 3.590 5.009 -5.468 1.00 0.00 C ATOM 306 C ILE A 869 3.105 3.673 -4.981 1.00 0.00 C ATOM 307 O ILE A 869 3.691 3.085 -4.081 1.00 0.00 O ATOM 308 CB ILE A 869 4.873 4.850 -6.337 1.00 0.00 C ATOM 309 CG1 ILE A 869 5.317 6.222 -6.868 1.00 0.00 C ATOM 310 CG2 ILE A 869 4.638 3.879 -7.492 1.00 0.00 C ATOM 311 CD1 ILE A 869 6.516 6.185 -7.783 1.00 0.00 C ATOM 0 H ILE A 869 4.625 5.609 -3.794 1.00 0.00 H new ATOM 0 HA ILE A 869 2.849 5.476 -6.117 1.00 0.00 H new ATOM 0 HB ILE A 869 5.665 4.437 -5.712 1.00 0.00 H new ATOM 0 HG12 ILE A 869 4.483 6.677 -7.402 1.00 0.00 H new ATOM 0 HG13 ILE A 869 5.543 6.869 -6.020 1.00 0.00 H new ATOM 0 HG21 ILE A 869 5.550 3.787 -8.082 1.00 0.00 H new ATOM 0 HG22 ILE A 869 4.363 2.902 -7.095 1.00 0.00 H new ATOM 0 HG23 ILE A 869 3.833 4.254 -8.124 1.00 0.00 H new ATOM 0 HD11 ILE A 869 6.757 7.197 -8.108 1.00 0.00 H new ATOM 0 HD12 ILE A 869 7.368 5.763 -7.250 1.00 0.00 H new ATOM 0 HD13 ILE A 869 6.291 5.568 -8.653 1.00 0.00 H new ATOM 323 N CYS A 870 2.024 3.248 -5.555 1.00 0.00 N ATOM 324 CA CYS A 870 1.367 2.033 -5.251 1.00 0.00 C ATOM 325 C CYS A 870 2.057 0.894 -6.010 1.00 0.00 C ATOM 326 O CYS A 870 1.942 0.815 -7.221 1.00 0.00 O ATOM 327 CB CYS A 870 -0.103 2.221 -5.712 1.00 0.00 C ATOM 328 SG CYS A 870 -1.226 0.795 -5.687 1.00 0.00 S ATOM 0 H CYS A 870 1.555 3.777 -6.291 1.00 0.00 H new ATOM 0 HA CYS A 870 1.401 1.783 -4.191 1.00 0.00 H new ATOM 0 HB2 CYS A 870 -0.546 2.999 -5.089 1.00 0.00 H new ATOM 0 HB3 CYS A 870 -0.081 2.604 -6.732 1.00 0.00 H new ATOM 0 HG CYS A 870 -2.110 0.922 -6.632 1.00 0.00 H new ATOM 333 N PRO A 871 2.811 0.013 -5.315 1.00 0.00 N ATOM 334 CA PRO A 871 3.477 -1.156 -5.932 1.00 0.00 C ATOM 335 C PRO A 871 2.480 -2.172 -6.532 1.00 0.00 C ATOM 336 O PRO A 871 2.872 -3.221 -7.051 1.00 0.00 O ATOM 337 CB PRO A 871 4.243 -1.800 -4.765 1.00 0.00 C ATOM 338 CG PRO A 871 4.364 -0.723 -3.744 1.00 0.00 C ATOM 339 CD PRO A 871 3.131 0.121 -3.888 1.00 0.00 C ATOM 0 HA PRO A 871 4.109 -0.852 -6.766 1.00 0.00 H new ATOM 0 HB2 PRO A 871 3.706 -2.662 -4.368 1.00 0.00 H new ATOM 0 HB3 PRO A 871 5.223 -2.154 -5.084 1.00 0.00 H new ATOM 0 HG2 PRO A 871 4.435 -1.142 -2.740 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.264 -0.130 -3.906 1.00 0.00 H new ATOM 0 HD2 PRO A 871 2.317 -0.248 -3.264 1.00 0.00 H new ATOM 0 HD3 PRO A 871 3.315 1.154 -3.594 1.00 0.00 H new ATOM 347 N GLY A 872 1.199 -1.873 -6.425 1.00 0.00 N ATOM 348 CA GLY A 872 0.199 -2.700 -7.022 1.00 0.00 C ATOM 349 C GLY A 872 0.088 -2.420 -8.510 1.00 0.00 C ATOM 350 O GLY A 872 -0.174 -3.332 -9.307 1.00 0.00 O ATOM 0 H GLY A 872 0.838 -1.059 -5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 872 0.445 -3.750 -6.862 1.00 0.00 H new ATOM 0 HA3 GLY A 872 -0.763 -2.521 -6.541 1.00 0.00 H new ATOM 354 N CYS A 873 0.305 -1.172 -8.885 1.00 0.00 N ATOM 355 CA CYS A 873 0.204 -0.753 -10.273 1.00 0.00 C ATOM 356 C CYS A 873 1.535 -0.198 -10.767 1.00 0.00 C ATOM 357 O CYS A 873 1.829 -0.234 -11.963 1.00 0.00 O ATOM 358 CB CYS A 873 -0.831 0.346 -10.339 1.00 0.00 C ATOM 359 SG CYS A 873 -0.457 1.708 -9.210 1.00 0.00 S ATOM 0 H CYS A 873 0.555 -0.423 -8.240 1.00 0.00 H new ATOM 0 HA CYS A 873 -0.069 -1.605 -10.896 1.00 0.00 H new ATOM 0 HB2 CYS A 873 -0.889 0.727 -11.359 1.00 0.00 H new ATOM 0 HB3 CYS A 873 -1.811 -0.065 -10.097 1.00 0.00 H new ATOM 0 HG CYS A 873 -0.837 1.392 -8.008 1.00 0.00 H new ATOM 364 N ASN A 874 2.287 0.349 -9.809 1.00 0.00 N ATOM 365 CA ASN A 874 3.571 1.020 -9.976 1.00 0.00 C ATOM 366 C ASN A 874 3.324 2.471 -10.452 1.00 0.00 C ATOM 367 O ASN A 874 4.147 3.089 -11.128 1.00 0.00 O ATOM 368 CB ASN A 874 4.545 0.209 -10.883 1.00 0.00 C ATOM 369 CG ASN A 874 5.999 0.660 -10.771 1.00 0.00 C ATOM 370 OD1 ASN A 874 6.717 0.230 -9.855 1.00 0.00 O ATOM 371 ND2 ASN A 874 6.474 1.435 -11.717 1.00 0.00 N ATOM 0 H ASN A 874 1.992 0.332 -8.833 1.00 0.00 H new ATOM 0 HA ASN A 874 4.085 1.073 -9.016 1.00 0.00 H new ATOM 0 HB2 ASN A 874 4.479 -0.847 -10.620 1.00 0.00 H new ATOM 0 HB3 ASN A 874 4.223 0.300 -11.921 1.00 0.00 H new ATOM 0 HD21 ASN A 874 7.459 1.700 -11.713 1.00 0.00 H new ATOM 0 HD22 ASN A 874 5.858 1.773 -12.457 1.00 0.00 H new ATOM 378 N LYS A 875 2.172 3.023 -10.047 1.00 0.00 N ATOM 379 CA LYS A 875 1.795 4.406 -10.357 1.00 0.00 C ATOM 380 C LYS A 875 1.757 5.266 -9.084 1.00 0.00 C ATOM 381 O LYS A 875 1.347 4.789 -8.012 1.00 0.00 O ATOM 382 CB LYS A 875 0.410 4.462 -10.996 1.00 0.00 C ATOM 383 CG LYS A 875 0.274 3.715 -12.297 1.00 0.00 C ATOM 384 CD LYS A 875 -1.180 3.657 -12.738 1.00 0.00 C ATOM 385 CE LYS A 875 -1.336 2.961 -14.075 1.00 0.00 C ATOM 386 NZ LYS A 875 -0.878 1.557 -14.041 1.00 0.00 N ATOM 0 H LYS A 875 1.476 2.522 -9.495 1.00 0.00 H new ATOM 0 HA LYS A 875 2.545 4.791 -11.047 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -0.316 4.062 -10.288 1.00 0.00 H new ATOM 0 HB3 LYS A 875 0.148 5.506 -11.166 1.00 0.00 H new ATOM 0 HG2 LYS A 875 0.873 4.203 -13.066 1.00 0.00 H new ATOM 0 HG3 LYS A 875 0.665 2.704 -12.183 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -1.768 3.132 -11.985 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -1.580 4.669 -12.806 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -2.383 2.991 -14.376 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -0.771 3.505 -14.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -1.038 1.117 -14.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 0.137 1.528 -13.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -1.410 1.036 -13.315 1.00 0.00 H new ATOM 400 N PRO A 876 2.211 6.523 -9.182 1.00 0.00 N ATOM 401 CA PRO A 876 2.139 7.495 -8.083 1.00 0.00 C ATOM 402 C PRO A 876 0.720 8.033 -7.861 1.00 0.00 C ATOM 403 O PRO A 876 -0.131 8.009 -8.776 1.00 0.00 O ATOM 404 CB PRO A 876 3.049 8.636 -8.551 1.00 0.00 C ATOM 405 CG PRO A 876 3.087 8.528 -10.034 1.00 0.00 C ATOM 406 CD PRO A 876 2.891 7.075 -10.365 1.00 0.00 C ATOM 0 HA PRO A 876 2.433 7.043 -7.136 1.00 0.00 H new ATOM 0 HB2 PRO A 876 2.658 9.604 -8.237 1.00 0.00 H new ATOM 0 HB3 PRO A 876 4.048 8.542 -8.125 1.00 0.00 H new ATOM 0 HG2 PRO A 876 2.305 9.137 -10.487 1.00 0.00 H new ATOM 0 HG3 PRO A 876 4.038 8.889 -10.424 1.00 0.00 H new ATOM 0 HD2 PRO A 876 2.289 6.949 -11.265 1.00 0.00 H new ATOM 0 HD3 PRO A 876 3.843 6.576 -10.546 1.00 0.00 H new ATOM 414 N ASP A 877 0.463 8.491 -6.653 1.00 0.00 N ATOM 415 CA ASP A 877 -0.814 9.098 -6.295 1.00 0.00 C ATOM 416 C ASP A 877 -0.925 10.516 -6.807 1.00 0.00 C ATOM 417 O ASP A 877 0.071 11.234 -6.902 1.00 0.00 O ATOM 418 CB ASP A 877 -1.049 9.077 -4.779 1.00 0.00 C ATOM 419 CG ASP A 877 -2.317 9.831 -4.367 1.00 0.00 C ATOM 420 OD1 ASP A 877 -3.423 9.536 -4.897 1.00 0.00 O ATOM 421 OD2 ASP A 877 -2.230 10.766 -3.545 1.00 0.00 O ATOM 0 H ASP A 877 1.133 8.455 -5.885 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.585 8.495 -6.775 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -1.120 8.043 -4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -0.189 9.519 -4.276 1.00 0.00 H new ATOM 426 N ASP A 878 -2.128 10.885 -7.173 1.00 0.00 N ATOM 427 CA ASP A 878 -2.432 12.239 -7.625 1.00 0.00 C ATOM 428 C ASP A 878 -3.697 12.740 -6.949 1.00 0.00 C ATOM 429 O ASP A 878 -4.177 13.837 -7.236 1.00 0.00 O ATOM 430 CB ASP A 878 -2.593 12.318 -9.161 1.00 0.00 C ATOM 431 CG ASP A 878 -3.756 11.506 -9.705 1.00 0.00 C ATOM 432 OD1 ASP A 878 -3.592 10.289 -9.930 1.00 0.00 O ATOM 433 OD2 ASP A 878 -4.836 12.065 -9.957 1.00 0.00 O ATOM 0 H ASP A 878 -2.933 10.259 -7.169 1.00 0.00 H new ATOM 0 HA ASP A 878 -1.589 12.872 -7.349 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -2.726 13.361 -9.449 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -1.672 11.973 -9.630 1.00 0.00 H new ATOM 438 N GLY A 879 -4.212 11.954 -6.025 1.00 0.00 N ATOM 439 CA GLY A 879 -5.426 12.318 -5.352 1.00 0.00 C ATOM 440 C GLY A 879 -6.518 11.310 -5.589 1.00 0.00 C ATOM 441 O GLY A 879 -7.682 11.674 -5.796 1.00 0.00 O ATOM 0 H GLY A 879 -3.806 11.066 -5.730 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -5.237 12.405 -4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -5.754 13.298 -5.698 1.00 0.00 H new ATOM 445 N SER A 880 -6.163 10.057 -5.568 1.00 0.00 N ATOM 446 CA SER A 880 -7.116 8.999 -5.777 1.00 0.00 C ATOM 447 C SER A 880 -7.414 8.336 -4.424 1.00 0.00 C ATOM 448 O SER A 880 -6.694 8.602 -3.450 1.00 0.00 O ATOM 449 CB SER A 880 -6.532 8.000 -6.776 1.00 0.00 C ATOM 450 OG SER A 880 -6.189 8.655 -7.987 1.00 0.00 O ATOM 0 H SER A 880 -5.208 9.738 -5.406 1.00 0.00 H new ATOM 0 HA SER A 880 -8.050 9.384 -6.186 1.00 0.00 H new ATOM 0 HB2 SER A 880 -5.649 7.524 -6.350 1.00 0.00 H new ATOM 0 HB3 SER A 880 -7.256 7.210 -6.975 1.00 0.00 H new ATOM 0 HG SER A 880 -5.815 8.004 -8.617 1.00 0.00 H new ATOM 456 N PRO A 881 -8.478 7.509 -4.300 1.00 0.00 N ATOM 457 CA PRO A 881 -8.776 6.831 -3.047 1.00 0.00 C ATOM 458 C PRO A 881 -7.719 5.774 -2.770 1.00 0.00 C ATOM 459 O PRO A 881 -7.444 4.897 -3.622 1.00 0.00 O ATOM 460 CB PRO A 881 -10.165 6.200 -3.259 1.00 0.00 C ATOM 461 CG PRO A 881 -10.659 6.728 -4.572 1.00 0.00 C ATOM 462 CD PRO A 881 -9.447 7.163 -5.350 1.00 0.00 C ATOM 0 HA PRO A 881 -8.774 7.503 -2.189 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -10.102 5.112 -3.274 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -10.844 6.468 -2.450 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -11.211 5.960 -5.114 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -11.341 7.564 -4.420 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -9.075 6.366 -5.994 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -9.666 8.016 -5.992 1.00 0.00 H new ATOM 470 N MET A 882 -7.077 5.880 -1.629 1.00 0.00 N ATOM 471 CA MET A 882 -6.006 4.983 -1.308 1.00 0.00 C ATOM 472 C MET A 882 -6.314 4.219 -0.044 1.00 0.00 C ATOM 473 O MET A 882 -7.176 4.616 0.740 1.00 0.00 O ATOM 474 CB MET A 882 -4.675 5.737 -1.154 1.00 0.00 C ATOM 475 CG MET A 882 -4.350 6.669 -2.302 1.00 0.00 C ATOM 476 SD MET A 882 -2.687 7.346 -2.218 1.00 0.00 S ATOM 477 CE MET A 882 -1.738 5.984 -2.888 1.00 0.00 C ATOM 0 H MET A 882 -7.282 6.578 -0.914 1.00 0.00 H new ATOM 0 HA MET A 882 -5.907 4.278 -2.133 1.00 0.00 H new ATOM 0 HB2 MET A 882 -4.703 6.314 -0.230 1.00 0.00 H new ATOM 0 HB3 MET A 882 -3.869 5.010 -1.052 1.00 0.00 H new ATOM 0 HG2 MET A 882 -4.469 6.131 -3.243 1.00 0.00 H new ATOM 0 HG3 MET A 882 -5.069 7.489 -2.310 1.00 0.00 H new ATOM 0 HE1 MET A 882 -0.711 6.045 -2.528 1.00 0.00 H new ATOM 0 HE2 MET A 882 -2.180 5.040 -2.567 1.00 0.00 H new ATOM 0 HE3 MET A 882 -1.745 6.036 -3.977 1.00 0.00 H new ATOM 487 N ILE A 883 -5.629 3.135 0.138 1.00 0.00 N ATOM 488 CA ILE A 883 -5.772 2.289 1.286 1.00 0.00 C ATOM 489 C ILE A 883 -4.372 1.856 1.727 1.00 0.00 C ATOM 490 O ILE A 883 -3.485 1.768 0.897 1.00 0.00 O ATOM 491 CB ILE A 883 -6.681 1.053 0.966 1.00 0.00 C ATOM 492 CG1 ILE A 883 -6.861 0.187 2.226 1.00 0.00 C ATOM 493 CG2 ILE A 883 -6.135 0.241 -0.228 1.00 0.00 C ATOM 494 CD1 ILE A 883 -7.902 -0.888 2.099 1.00 0.00 C ATOM 0 H ILE A 883 -4.932 2.801 -0.528 1.00 0.00 H new ATOM 0 HA ILE A 883 -6.262 2.832 2.094 1.00 0.00 H new ATOM 0 HB ILE A 883 -7.665 1.414 0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 883 -5.906 -0.277 2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 883 -7.126 0.835 3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 883 -6.791 -0.608 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 883 -6.095 0.877 -1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 883 -5.133 -0.120 0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 883 -7.962 -1.449 3.032 1.00 0.00 H new ATOM 0 HD12 ILE A 883 -8.870 -0.434 1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 883 -7.631 -1.563 1.287 1.00 0.00 H new ATOM 506 N GLY A 884 -4.168 1.651 3.006 1.00 0.00 N ATOM 507 CA GLY A 884 -2.859 1.281 3.489 1.00 0.00 C ATOM 508 C GLY A 884 -2.864 -0.045 4.217 1.00 0.00 C ATOM 509 O GLY A 884 -3.882 -0.430 4.835 1.00 0.00 O ATOM 0 H GLY A 884 -4.885 1.733 3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 884 -2.167 1.228 2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 884 -2.489 2.058 4.158 1.00 0.00 H new ATOM 513 N CYS A 885 -1.749 -0.742 4.130 1.00 0.00 N ATOM 514 CA CYS A 885 -1.532 -2.021 4.756 1.00 0.00 C ATOM 515 C CYS A 885 -1.561 -1.897 6.281 1.00 0.00 C ATOM 516 O CYS A 885 -1.398 -0.809 6.856 1.00 0.00 O ATOM 517 CB CYS A 885 -0.166 -2.581 4.276 1.00 0.00 C ATOM 518 SG CYS A 885 0.311 -4.216 4.901 1.00 0.00 S ATOM 0 H CYS A 885 -0.941 -0.416 3.600 1.00 0.00 H new ATOM 0 HA CYS A 885 -2.331 -2.705 4.472 1.00 0.00 H new ATOM 0 HB2 CYS A 885 -0.180 -2.624 3.187 1.00 0.00 H new ATOM 0 HB3 CYS A 885 0.611 -1.870 4.557 1.00 0.00 H new ATOM 0 HG CYS A 885 1.046 -4.821 4.016 1.00 0.00 H new ATOM 523 N ASP A 886 -1.765 -3.001 6.926 1.00 0.00 N ATOM 524 CA ASP A 886 -1.769 -3.053 8.364 1.00 0.00 C ATOM 525 C ASP A 886 -0.332 -3.206 8.850 1.00 0.00 C ATOM 526 O ASP A 886 -0.022 -3.021 10.027 1.00 0.00 O ATOM 527 CB ASP A 886 -2.642 -4.224 8.856 1.00 0.00 C ATOM 528 CG ASP A 886 -2.828 -4.251 10.364 1.00 0.00 C ATOM 529 OD1 ASP A 886 -3.606 -3.426 10.888 1.00 0.00 O ATOM 530 OD2 ASP A 886 -2.232 -5.112 11.053 1.00 0.00 O ATOM 0 H ASP A 886 -1.935 -3.899 6.474 1.00 0.00 H new ATOM 0 HA ASP A 886 -2.192 -2.133 8.767 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -3.620 -4.163 8.379 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -2.189 -5.163 8.537 1.00 0.00 H new ATOM 535 N ASP A 887 0.557 -3.511 7.925 1.00 0.00 N ATOM 536 CA ASP A 887 1.946 -3.736 8.274 1.00 0.00 C ATOM 537 C ASP A 887 2.865 -2.583 7.842 1.00 0.00 C ATOM 538 O ASP A 887 3.763 -2.184 8.600 1.00 0.00 O ATOM 539 CB ASP A 887 2.430 -5.056 7.679 1.00 0.00 C ATOM 540 CG ASP A 887 3.788 -5.464 8.185 1.00 0.00 C ATOM 541 OD1 ASP A 887 3.885 -5.922 9.346 1.00 0.00 O ATOM 542 OD2 ASP A 887 4.768 -5.406 7.438 1.00 0.00 O ATOM 0 H ASP A 887 0.344 -3.608 6.932 1.00 0.00 H new ATOM 0 HA ASP A 887 1.997 -3.785 9.362 1.00 0.00 H new ATOM 0 HB2 ASP A 887 1.710 -5.840 7.913 1.00 0.00 H new ATOM 0 HB3 ASP A 887 2.464 -4.968 6.593 1.00 0.00 H new ATOM 547 N CYS A 888 2.625 -2.021 6.669 1.00 0.00 N ATOM 548 CA CYS A 888 3.507 -0.987 6.114 1.00 0.00 C ATOM 549 C CYS A 888 3.154 0.458 6.613 1.00 0.00 C ATOM 550 O CYS A 888 2.525 0.651 7.658 1.00 0.00 O ATOM 551 CB CYS A 888 3.425 -1.034 4.584 1.00 0.00 C ATOM 552 SG CYS A 888 3.602 -2.672 3.847 1.00 0.00 S ATOM 0 H CYS A 888 1.829 -2.258 6.077 1.00 0.00 H new ATOM 0 HA CYS A 888 4.518 -1.201 6.461 1.00 0.00 H new ATOM 0 HB2 CYS A 888 2.466 -0.618 4.276 1.00 0.00 H new ATOM 0 HB3 CYS A 888 4.200 -0.385 4.176 1.00 0.00 H new ATOM 0 HG CYS A 888 2.494 -3.336 3.995 1.00 0.00 H new ATOM 557 N ASP A 889 3.640 1.439 5.856 1.00 0.00 N ATOM 558 CA ASP A 889 3.424 2.901 6.064 1.00 0.00 C ATOM 559 C ASP A 889 3.061 3.435 4.679 1.00 0.00 C ATOM 560 O ASP A 889 3.281 4.580 4.307 1.00 0.00 O ATOM 561 CB ASP A 889 4.742 3.550 6.555 1.00 0.00 C ATOM 562 CG ASP A 889 4.603 5.011 7.001 1.00 0.00 C ATOM 563 OD1 ASP A 889 4.121 5.257 8.130 1.00 0.00 O ATOM 564 OD2 ASP A 889 5.025 5.932 6.270 1.00 0.00 O ATOM 0 H ASP A 889 4.223 1.247 5.041 1.00 0.00 H new ATOM 0 HA ASP A 889 2.654 3.116 6.805 1.00 0.00 H new ATOM 0 HB2 ASP A 889 5.132 2.965 7.387 1.00 0.00 H new ATOM 0 HB3 ASP A 889 5.479 3.496 5.754 1.00 0.00 H new ATOM 569 N ASP A 890 2.470 2.553 3.963 1.00 0.00 N ATOM 570 CA ASP A 890 2.156 2.651 2.559 1.00 0.00 C ATOM 571 C ASP A 890 0.803 3.277 2.314 1.00 0.00 C ATOM 572 O ASP A 890 0.046 3.572 3.243 1.00 0.00 O ATOM 573 CB ASP A 890 2.039 1.228 2.039 1.00 0.00 C ATOM 574 CG ASP A 890 0.848 0.530 2.708 1.00 0.00 C ATOM 575 OD1 ASP A 890 0.840 0.419 3.957 1.00 0.00 O ATOM 576 OD2 ASP A 890 -0.100 0.171 2.033 1.00 0.00 O ATOM 0 H ASP A 890 2.162 1.666 4.362 1.00 0.00 H new ATOM 0 HA ASP A 890 2.927 3.254 2.080 1.00 0.00 H new ATOM 0 HB2 ASP A 890 1.908 1.235 0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 890 2.958 0.679 2.245 1.00 0.00 H new ATOM 581 N TRP A 891 0.523 3.434 1.040 1.00 0.00 N ATOM 582 CA TRP A 891 -0.751 3.815 0.519 1.00 0.00 C ATOM 583 C TRP A 891 -0.845 3.234 -0.890 1.00 0.00 C ATOM 584 O TRP A 891 -0.030 3.554 -1.756 1.00 0.00 O ATOM 585 CB TRP A 891 -0.956 5.356 0.481 1.00 0.00 C ATOM 586 CG TRP A 891 -1.193 6.017 1.818 1.00 0.00 C ATOM 587 CD1 TRP A 891 -0.288 6.701 2.573 1.00 0.00 C ATOM 588 CD2 TRP A 891 -2.428 6.049 2.553 1.00 0.00 C ATOM 589 NE1 TRP A 891 -0.881 7.155 3.728 1.00 0.00 N ATOM 590 CE2 TRP A 891 -2.190 6.769 3.739 1.00 0.00 C ATOM 591 CE3 TRP A 891 -3.707 5.541 2.324 1.00 0.00 C ATOM 592 CZ2 TRP A 891 -3.184 6.992 4.689 1.00 0.00 C ATOM 593 CZ3 TRP A 891 -4.693 5.763 3.263 1.00 0.00 C ATOM 594 CH2 TRP A 891 -4.427 6.483 4.432 1.00 0.00 C ATOM 0 H TRP A 891 1.220 3.290 0.310 1.00 0.00 H new ATOM 0 HA TRP A 891 -1.534 3.430 1.172 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -0.078 5.810 0.022 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -1.804 5.576 -0.168 1.00 0.00 H new ATOM 0 HD1 TRP A 891 0.745 6.863 2.304 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -0.417 7.694 4.459 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -3.922 4.982 1.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -2.981 7.546 5.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -5.686 5.375 3.093 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -5.221 6.641 5.147 1.00 0.00 H new ATOM 605 N TYR A 892 -1.782 2.354 -1.085 1.00 0.00 N ATOM 606 CA TYR A 892 -2.061 1.746 -2.379 1.00 0.00 C ATOM 607 C TYR A 892 -3.343 2.318 -2.899 1.00 0.00 C ATOM 608 O TYR A 892 -4.146 2.814 -2.128 1.00 0.00 O ATOM 609 CB TYR A 892 -2.216 0.220 -2.259 1.00 0.00 C ATOM 610 CG TYR A 892 -0.932 -0.552 -2.054 1.00 0.00 C ATOM 611 CD1 TYR A 892 -0.229 -0.469 -0.876 1.00 0.00 C ATOM 612 CD2 TYR A 892 -0.434 -1.377 -3.051 1.00 0.00 C ATOM 613 CE1 TYR A 892 0.928 -1.173 -0.686 1.00 0.00 C ATOM 614 CE2 TYR A 892 0.725 -2.097 -2.866 1.00 0.00 C ATOM 615 CZ TYR A 892 1.403 -1.986 -1.677 1.00 0.00 C ATOM 616 OH TYR A 892 2.545 -2.708 -1.472 1.00 0.00 O ATOM 0 H TYR A 892 -2.395 2.023 -0.340 1.00 0.00 H new ATOM 0 HA TYR A 892 -1.229 1.955 -3.052 1.00 0.00 H new ATOM 0 HB2 TYR A 892 -2.885 0.005 -1.426 1.00 0.00 H new ATOM 0 HB3 TYR A 892 -2.702 -0.150 -3.162 1.00 0.00 H new ATOM 0 HD1 TYR A 892 -0.598 0.165 -0.084 1.00 0.00 H new ATOM 0 HD2 TYR A 892 -0.964 -1.456 -3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 892 1.466 -1.087 0.246 1.00 0.00 H new ATOM 0 HE2 TYR A 892 1.097 -2.742 -3.648 1.00 0.00 H new ATOM 0 HH TYR A 892 2.422 -3.303 -0.703 1.00 0.00 H new ATOM 626 N HIS A 893 -3.558 2.248 -4.174 1.00 0.00 N ATOM 627 CA HIS A 893 -4.789 2.786 -4.744 1.00 0.00 C ATOM 628 C HIS A 893 -5.870 1.729 -4.691 1.00 0.00 C ATOM 629 O HIS A 893 -5.586 0.543 -4.859 1.00 0.00 O ATOM 630 CB HIS A 893 -4.620 3.229 -6.203 1.00 0.00 C ATOM 631 CG HIS A 893 -3.545 4.230 -6.466 1.00 0.00 C ATOM 632 ND1 HIS A 893 -2.414 3.872 -7.156 1.00 0.00 N ATOM 633 CD2 HIS A 893 -3.491 5.554 -6.175 1.00 0.00 C ATOM 634 CE1 HIS A 893 -1.697 4.994 -7.269 1.00 0.00 C ATOM 635 NE2 HIS A 893 -2.316 6.024 -6.691 1.00 0.00 N ATOM 0 H HIS A 893 -2.916 1.832 -4.848 1.00 0.00 H new ATOM 0 HA HIS A 893 -5.058 3.662 -4.153 1.00 0.00 H new ATOM 0 HB2 HIS A 893 -4.421 2.345 -6.809 1.00 0.00 H new ATOM 0 HB3 HIS A 893 -5.567 3.645 -6.547 1.00 0.00 H new ATOM 0 HD1 HIS A 893 -2.172 2.946 -7.508 1.00 0.00 H new ATOM 0 HD2 HIS A 893 -4.234 6.126 -5.639 1.00 0.00 H new ATOM 0 HE1 HIS A 893 -0.740 5.058 -7.765 1.00 0.00 H new ATOM 643 N TRP A 894 -7.090 2.158 -4.461 1.00 0.00 N ATOM 644 CA TRP A 894 -8.254 1.266 -4.427 1.00 0.00 C ATOM 645 C TRP A 894 -8.391 0.353 -5.674 1.00 0.00 C ATOM 646 O TRP A 894 -8.462 -0.869 -5.519 1.00 0.00 O ATOM 647 CB TRP A 894 -9.543 2.040 -4.190 1.00 0.00 C ATOM 648 CG TRP A 894 -9.791 2.436 -2.781 1.00 0.00 C ATOM 649 CD1 TRP A 894 -8.905 2.468 -1.752 1.00 0.00 C ATOM 650 CD2 TRP A 894 -11.036 2.859 -2.254 1.00 0.00 C ATOM 651 NE1 TRP A 894 -9.535 2.892 -0.613 1.00 0.00 N ATOM 652 CE2 TRP A 894 -10.846 3.144 -0.899 1.00 0.00 C ATOM 653 CE3 TRP A 894 -12.297 3.026 -2.810 1.00 0.00 C ATOM 654 CZ2 TRP A 894 -11.871 3.591 -0.087 1.00 0.00 C ATOM 655 CZ3 TRP A 894 -13.325 3.468 -2.005 1.00 0.00 C ATOM 656 CH2 TRP A 894 -13.103 3.751 -0.657 1.00 0.00 C ATOM 0 H TRP A 894 -7.316 3.138 -4.290 1.00 0.00 H new ATOM 0 HA TRP A 894 -8.076 0.601 -3.582 1.00 0.00 H new ATOM 0 HB2 TRP A 894 -9.527 2.939 -4.806 1.00 0.00 H new ATOM 0 HB3 TRP A 894 -10.381 1.433 -4.533 1.00 0.00 H new ATOM 0 HD1 TRP A 894 -7.861 2.200 -1.822 1.00 0.00 H new ATOM 0 HE1 TRP A 894 -9.096 3.002 0.301 1.00 0.00 H new ATOM 0 HE3 TRP A 894 -12.470 2.813 -3.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 -11.705 3.806 0.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 -14.313 3.597 -2.422 1.00 0.00 H new ATOM 0 HH2 TRP A 894 -13.923 4.105 -0.050 1.00 0.00 H new ATOM 667 N PRO A 895 -8.404 0.898 -6.933 1.00 0.00 N ATOM 668 CA PRO A 895 -8.546 0.069 -8.147 1.00 0.00 C ATOM 669 C PRO A 895 -7.442 -0.991 -8.289 1.00 0.00 C ATOM 670 O PRO A 895 -7.650 -2.051 -8.900 1.00 0.00 O ATOM 671 CB PRO A 895 -8.449 1.079 -9.303 1.00 0.00 C ATOM 672 CG PRO A 895 -7.861 2.306 -8.701 1.00 0.00 C ATOM 673 CD PRO A 895 -8.335 2.331 -7.286 1.00 0.00 C ATOM 0 HA PRO A 895 -9.480 -0.493 -8.124 1.00 0.00 H new ATOM 0 HB2 PRO A 895 -7.822 0.696 -10.109 1.00 0.00 H new ATOM 0 HB3 PRO A 895 -9.430 1.282 -9.732 1.00 0.00 H new ATOM 0 HG2 PRO A 895 -6.772 2.282 -8.748 1.00 0.00 H new ATOM 0 HG3 PRO A 895 -8.184 3.198 -9.237 1.00 0.00 H new ATOM 0 HD2 PRO A 895 -7.645 2.873 -6.639 1.00 0.00 H new ATOM 0 HD3 PRO A 895 -9.307 2.816 -7.194 1.00 0.00 H new ATOM 681 N CYS A 896 -6.320 -0.749 -7.659 1.00 0.00 N ATOM 682 CA CYS A 896 -5.170 -1.592 -7.797 1.00 0.00 C ATOM 683 C CYS A 896 -5.286 -2.837 -6.938 1.00 0.00 C ATOM 684 O CYS A 896 -4.638 -3.856 -7.196 1.00 0.00 O ATOM 685 CB CYS A 896 -3.977 -0.770 -7.411 1.00 0.00 C ATOM 686 SG CYS A 896 -3.905 0.781 -8.341 1.00 0.00 S ATOM 0 H CYS A 896 -6.183 0.045 -7.033 1.00 0.00 H new ATOM 0 HA CYS A 896 -5.077 -1.945 -8.824 1.00 0.00 H new ATOM 0 HB2 CYS A 896 -4.014 -0.553 -6.343 1.00 0.00 H new ATOM 0 HB3 CYS A 896 -3.067 -1.343 -7.588 1.00 0.00 H new ATOM 0 HG CYS A 896 -2.664 1.095 -8.565 1.00 0.00 H new ATOM 691 N VAL A 897 -6.107 -2.747 -5.936 1.00 0.00 N ATOM 692 CA VAL A 897 -6.335 -3.849 -5.038 1.00 0.00 C ATOM 693 C VAL A 897 -7.782 -4.310 -5.120 1.00 0.00 C ATOM 694 O VAL A 897 -8.244 -5.122 -4.325 1.00 0.00 O ATOM 695 CB VAL A 897 -5.924 -3.490 -3.590 1.00 0.00 C ATOM 696 CG1 VAL A 897 -4.403 -3.418 -3.502 1.00 0.00 C ATOM 697 CG2 VAL A 897 -6.510 -2.148 -3.195 1.00 0.00 C ATOM 0 H VAL A 897 -6.641 -1.907 -5.714 1.00 0.00 H new ATOM 0 HA VAL A 897 -5.703 -4.681 -5.347 1.00 0.00 H new ATOM 0 HB VAL A 897 -6.302 -4.257 -2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 897 -4.109 -3.165 -2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 897 -3.977 -4.384 -3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 897 -4.035 -2.653 -4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 897 -6.213 -1.908 -2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 897 -6.141 -1.377 -3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 897 -7.597 -2.194 -3.255 1.00 0.00 H new ATOM 707 N GLY A 898 -8.482 -3.779 -6.112 1.00 0.00 N ATOM 708 CA GLY A 898 -9.842 -4.174 -6.385 1.00 0.00 C ATOM 709 C GLY A 898 -10.818 -3.696 -5.345 1.00 0.00 C ATOM 710 O GLY A 898 -11.752 -4.414 -4.979 1.00 0.00 O ATOM 0 H GLY A 898 -8.118 -3.066 -6.744 1.00 0.00 H new ATOM 0 HA2 GLY A 898 -10.138 -3.784 -7.359 1.00 0.00 H new ATOM 0 HA3 GLY A 898 -9.892 -5.261 -6.449 1.00 0.00 H new ATOM 714 N ILE A 899 -10.605 -2.507 -4.864 1.00 0.00 N ATOM 715 CA ILE A 899 -11.457 -1.927 -3.868 1.00 0.00 C ATOM 716 C ILE A 899 -12.232 -0.783 -4.450 1.00 0.00 C ATOM 717 O ILE A 899 -11.674 0.095 -5.082 1.00 0.00 O ATOM 718 CB ILE A 899 -10.647 -1.480 -2.625 1.00 0.00 C ATOM 719 CG1 ILE A 899 -10.065 -2.720 -1.944 1.00 0.00 C ATOM 720 CG2 ILE A 899 -11.485 -0.641 -1.646 1.00 0.00 C ATOM 721 CD1 ILE A 899 -9.310 -2.431 -0.694 1.00 0.00 C ATOM 0 H ILE A 899 -9.831 -1.909 -5.153 1.00 0.00 H new ATOM 0 HA ILE A 899 -12.164 -2.688 -3.537 1.00 0.00 H new ATOM 0 HB ILE A 899 -9.838 -0.828 -2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 899 -10.877 -3.409 -1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 899 -9.404 -3.229 -2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 899 -10.869 -0.354 -0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 899 -11.846 0.255 -2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 899 -12.335 -1.228 -1.299 1.00 0.00 H new ATOM 0 HD11 ILE A 899 -8.931 -3.363 -0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 899 -8.475 -1.768 -0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 899 -9.971 -1.951 0.027 1.00 0.00 H new ATOM 733 N MET A 900 -13.517 -0.840 -4.286 1.00 0.00 N ATOM 734 CA MET A 900 -14.405 0.195 -4.773 1.00 0.00 C ATOM 735 C MET A 900 -15.232 0.746 -3.638 1.00 0.00 C ATOM 736 O MET A 900 -15.958 1.730 -3.792 1.00 0.00 O ATOM 737 CB MET A 900 -15.315 -0.372 -5.844 1.00 0.00 C ATOM 738 CG MET A 900 -14.572 -0.920 -7.043 1.00 0.00 C ATOM 739 SD MET A 900 -13.667 0.343 -7.969 1.00 0.00 S ATOM 740 CE MET A 900 -15.004 1.410 -8.502 1.00 0.00 C ATOM 0 H MET A 900 -13.992 -1.606 -3.809 1.00 0.00 H new ATOM 0 HA MET A 900 -13.808 1.002 -5.199 1.00 0.00 H new ATOM 0 HB2 MET A 900 -15.923 -1.166 -5.410 1.00 0.00 H new ATOM 0 HB3 MET A 900 -16.000 0.408 -6.177 1.00 0.00 H new ATOM 0 HG2 MET A 900 -13.872 -1.685 -6.708 1.00 0.00 H new ATOM 0 HG3 MET A 900 -15.283 -1.408 -7.709 1.00 0.00 H new ATOM 0 HE1 MET A 900 -14.664 2.035 -9.328 1.00 0.00 H new ATOM 0 HE2 MET A 900 -15.846 0.801 -8.831 1.00 0.00 H new ATOM 0 HE3 MET A 900 -15.316 2.044 -7.672 1.00 0.00 H new ATOM 750 N ALA A 901 -15.102 0.124 -2.500 1.00 0.00 N ATOM 751 CA ALA A 901 -15.840 0.483 -1.333 1.00 0.00 C ATOM 752 C ALA A 901 -14.962 0.262 -0.152 1.00 0.00 C ATOM 753 O ALA A 901 -14.252 -0.748 -0.109 1.00 0.00 O ATOM 754 CB ALA A 901 -17.092 -0.366 -1.228 1.00 0.00 C ATOM 0 H ALA A 901 -14.466 -0.661 -2.360 1.00 0.00 H new ATOM 0 HA ALA A 901 -16.147 1.528 -1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 901 -17.649 -0.085 -0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 901 -17.715 -0.207 -2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 901 -16.814 -1.418 -1.166 1.00 0.00 H new ATOM 760 N ALA A 902 -14.996 1.189 0.783 1.00 0.00 N ATOM 761 CA ALA A 902 -14.158 1.150 1.959 1.00 0.00 C ATOM 762 C ALA A 902 -14.420 -0.107 2.773 1.00 0.00 C ATOM 763 O ALA A 902 -15.519 -0.293 3.307 1.00 0.00 O ATOM 764 CB ALA A 902 -14.377 2.388 2.807 1.00 0.00 C ATOM 0 H ALA A 902 -15.614 1.999 0.745 1.00 0.00 H new ATOM 0 HA ALA A 902 -13.118 1.131 1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -13.738 2.343 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -14.130 3.276 2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -15.421 2.437 3.117 1.00 0.00 H new ATOM 770 N PRO A 903 -13.438 -1.003 2.834 1.00 0.00 N ATOM 771 CA PRO A 903 -13.550 -2.242 3.591 1.00 0.00 C ATOM 772 C PRO A 903 -13.568 -1.969 5.104 1.00 0.00 C ATOM 773 O PRO A 903 -13.248 -0.845 5.548 1.00 0.00 O ATOM 774 CB PRO A 903 -12.284 -3.023 3.186 1.00 0.00 C ATOM 775 CG PRO A 903 -11.317 -1.985 2.749 1.00 0.00 C ATOM 776 CD PRO A 903 -12.135 -0.880 2.150 1.00 0.00 C ATOM 0 HA PRO A 903 -14.472 -2.785 3.381 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -11.892 -3.601 4.023 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -12.496 -3.729 2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -10.728 -1.621 3.591 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -10.615 -2.389 2.020 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -11.681 0.095 2.325 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -12.236 -0.996 1.071 1.00 0.00 H new ATOM 845 N GLN A 908 -7.910 -6.376 9.420 1.00 0.00 N ATOM 846 CA GLN A 908 -6.575 -6.134 8.948 1.00 0.00 C ATOM 847 C GLN A 908 -6.561 -6.313 7.457 1.00 0.00 C ATOM 848 O GLN A 908 -7.160 -7.251 6.928 1.00 0.00 O ATOM 849 CB GLN A 908 -5.573 -7.089 9.561 1.00 0.00 C ATOM 850 CG GLN A 908 -5.471 -7.022 11.063 1.00 0.00 C ATOM 851 CD GLN A 908 -4.478 -8.018 11.603 1.00 0.00 C ATOM 852 OE1 GLN A 908 -4.834 -9.155 11.906 1.00 0.00 O ATOM 853 NE2 GLN A 908 -3.235 -7.615 11.723 1.00 0.00 N ATOM 0 HA GLN A 908 -6.290 -5.121 9.234 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -5.840 -8.106 9.274 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -4.591 -6.885 9.135 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -5.176 -6.016 11.362 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -6.450 -7.211 11.502 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -2.980 -6.663 11.460 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -2.524 -8.254 12.079 1.00 0.00 H new ATOM 862 N TRP A 909 -5.891 -5.450 6.805 1.00 0.00 N ATOM 863 CA TRP A 909 -5.801 -5.477 5.384 1.00 0.00 C ATOM 864 C TRP A 909 -4.349 -5.451 5.031 1.00 0.00 C ATOM 865 O TRP A 909 -3.587 -4.693 5.622 1.00 0.00 O ATOM 866 CB TRP A 909 -6.531 -4.266 4.778 1.00 0.00 C ATOM 867 CG TRP A 909 -6.499 -4.221 3.277 1.00 0.00 C ATOM 868 CD1 TRP A 909 -7.396 -4.776 2.422 1.00 0.00 C ATOM 869 CD2 TRP A 909 -5.511 -3.583 2.459 1.00 0.00 C ATOM 870 NE1 TRP A 909 -7.022 -4.522 1.127 1.00 0.00 N ATOM 871 CE2 TRP A 909 -5.868 -3.793 1.128 1.00 0.00 C ATOM 872 CE3 TRP A 909 -4.362 -2.859 2.737 1.00 0.00 C ATOM 873 CZ2 TRP A 909 -5.116 -3.299 0.076 1.00 0.00 C ATOM 874 CZ3 TRP A 909 -3.607 -2.372 1.695 1.00 0.00 C ATOM 875 CH2 TRP A 909 -3.986 -2.592 0.380 1.00 0.00 C ATOM 0 H TRP A 909 -5.376 -4.686 7.242 1.00 0.00 H new ATOM 0 HA TRP A 909 -6.273 -6.374 4.984 1.00 0.00 H new ATOM 0 HB2 TRP A 909 -7.570 -4.278 5.109 1.00 0.00 H new ATOM 0 HB3 TRP A 909 -6.083 -3.352 5.168 1.00 0.00 H new ATOM 0 HD1 TRP A 909 -8.272 -5.334 2.717 1.00 0.00 H new ATOM 0 HE1 TRP A 909 -7.526 -4.829 0.295 1.00 0.00 H new ATOM 0 HE3 TRP A 909 -4.063 -2.679 3.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 -5.412 -3.466 -0.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 -2.708 -1.811 1.904 1.00 0.00 H new ATOM 0 HH2 TRP A 909 -3.377 -2.197 -0.420 1.00 0.00 H new ATOM 886 N PHE A 910 -3.952 -6.284 4.123 1.00 0.00 N ATOM 887 CA PHE A 910 -2.577 -6.337 3.729 1.00 0.00 C ATOM 888 C PHE A 910 -2.452 -6.139 2.247 1.00 0.00 C ATOM 889 O PHE A 910 -3.293 -6.632 1.462 1.00 0.00 O ATOM 890 CB PHE A 910 -1.913 -7.647 4.190 1.00 0.00 C ATOM 891 CG PHE A 910 -1.903 -7.794 5.691 1.00 0.00 C ATOM 892 CD1 PHE A 910 -0.953 -7.138 6.456 1.00 0.00 C ATOM 893 CD2 PHE A 910 -2.866 -8.554 6.333 1.00 0.00 C ATOM 894 CE1 PHE A 910 -0.960 -7.244 7.831 1.00 0.00 C ATOM 895 CE2 PHE A 910 -2.880 -8.657 7.708 1.00 0.00 C ATOM 896 CZ PHE A 910 -1.928 -8.003 8.456 1.00 0.00 C ATOM 0 H PHE A 910 -4.562 -6.941 3.637 1.00 0.00 H new ATOM 0 HA PHE A 910 -2.045 -5.523 4.222 1.00 0.00 H new ATOM 0 HB2 PHE A 910 -2.441 -8.493 3.749 1.00 0.00 H new ATOM 0 HB3 PHE A 910 -0.889 -7.682 3.818 1.00 0.00 H new ATOM 0 HD1 PHE A 910 -0.198 -6.537 5.970 1.00 0.00 H new ATOM 0 HD2 PHE A 910 -3.614 -9.072 5.751 1.00 0.00 H new ATOM 0 HE1 PHE A 910 -0.210 -6.734 8.417 1.00 0.00 H new ATOM 0 HE2 PHE A 910 -3.638 -9.251 8.198 1.00 0.00 H new ATOM 0 HZ PHE A 910 -1.939 -8.084 9.533 1.00 0.00 H new ATOM 906 N CYS A 911 -1.444 -5.398 1.873 1.00 0.00 N ATOM 907 CA CYS A 911 -1.147 -5.094 0.514 1.00 0.00 C ATOM 908 C CYS A 911 -0.782 -6.365 -0.257 1.00 0.00 C ATOM 909 O CYS A 911 -0.465 -7.391 0.354 1.00 0.00 O ATOM 910 CB CYS A 911 0.033 -4.120 0.513 1.00 0.00 C ATOM 911 SG CYS A 911 1.541 -4.712 1.345 1.00 0.00 S ATOM 0 H CYS A 911 -0.790 -4.979 2.534 1.00 0.00 H new ATOM 0 HA CYS A 911 -2.016 -4.652 0.026 1.00 0.00 H new ATOM 0 HB2 CYS A 911 0.281 -3.878 -0.521 1.00 0.00 H new ATOM 0 HB3 CYS A 911 -0.284 -3.193 0.990 1.00 0.00 H new ATOM 0 HG CYS A 911 2.011 -3.773 2.112 1.00 0.00 H new ATOM 916 N PRO A 912 -0.795 -6.322 -1.612 1.00 0.00 N ATOM 917 CA PRO A 912 -0.367 -7.454 -2.450 1.00 0.00 C ATOM 918 C PRO A 912 1.088 -7.895 -2.150 1.00 0.00 C ATOM 919 O PRO A 912 1.547 -8.931 -2.628 1.00 0.00 O ATOM 920 CB PRO A 912 -0.483 -6.912 -3.894 1.00 0.00 C ATOM 921 CG PRO A 912 -0.616 -5.428 -3.749 1.00 0.00 C ATOM 922 CD PRO A 912 -1.288 -5.202 -2.432 1.00 0.00 C ATOM 0 HA PRO A 912 -0.975 -8.340 -2.269 1.00 0.00 H new ATOM 0 HB2 PRO A 912 0.396 -7.172 -4.484 1.00 0.00 H new ATOM 0 HB3 PRO A 912 -1.347 -7.336 -4.405 1.00 0.00 H new ATOM 0 HG2 PRO A 912 0.360 -4.944 -3.777 1.00 0.00 H new ATOM 0 HG3 PRO A 912 -1.204 -5.007 -4.565 1.00 0.00 H new ATOM 0 HD2 PRO A 912 -1.019 -4.237 -2.002 1.00 0.00 H new ATOM 0 HD3 PRO A 912 -2.374 -5.217 -2.525 1.00 0.00 H new ATOM 930 N LYS A 913 1.798 -7.089 -1.374 1.00 0.00 N ATOM 931 CA LYS A 913 3.134 -7.404 -0.946 1.00 0.00 C ATOM 932 C LYS A 913 3.102 -8.218 0.339 1.00 0.00 C ATOM 933 O LYS A 913 3.566 -9.360 0.362 1.00 0.00 O ATOM 934 CB LYS A 913 3.984 -6.132 -0.822 1.00 0.00 C ATOM 935 CG LYS A 913 4.166 -5.419 -2.158 1.00 0.00 C ATOM 936 CD LYS A 913 4.898 -6.317 -3.131 1.00 0.00 C ATOM 937 CE LYS A 913 4.970 -5.740 -4.517 1.00 0.00 C ATOM 938 NZ LYS A 913 5.600 -6.697 -5.446 1.00 0.00 N ATOM 0 H LYS A 913 1.452 -6.194 -1.027 1.00 0.00 H new ATOM 0 HA LYS A 913 3.613 -8.023 -1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 913 3.513 -5.452 -0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 913 4.962 -6.390 -0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 913 3.194 -5.142 -2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 913 4.725 -4.495 -2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 913 5.909 -6.495 -2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 913 4.398 -7.285 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 913 3.968 -5.492 -4.866 1.00 0.00 H new ATOM 0 HE3 LYS A 913 5.540 -4.811 -4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 5.641 -6.281 -6.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 6.564 -6.913 -5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 5.040 -7.573 -5.475 1.00 0.00 H new ATOM 952 N CYS A 914 2.492 -7.676 1.381 1.00 0.00 N ATOM 953 CA CYS A 914 2.411 -8.378 2.645 1.00 0.00 C ATOM 954 C CYS A 914 1.502 -9.591 2.593 1.00 0.00 C ATOM 955 O CYS A 914 1.701 -10.565 3.340 1.00 0.00 O ATOM 956 CB CYS A 914 2.072 -7.438 3.786 1.00 0.00 C ATOM 957 SG CYS A 914 3.440 -6.337 4.205 1.00 0.00 S ATOM 0 H CYS A 914 2.049 -6.757 1.374 1.00 0.00 H new ATOM 0 HA CYS A 914 3.407 -8.774 2.846 1.00 0.00 H new ATOM 0 HB2 CYS A 914 1.200 -6.842 3.515 1.00 0.00 H new ATOM 0 HB3 CYS A 914 1.798 -8.022 4.664 1.00 0.00 H new ATOM 0 HG CYS A 914 3.189 -5.143 3.757 1.00 0.00 H new ATOM 962 N ALA A 915 0.549 -9.564 1.693 1.00 0.00 N ATOM 963 CA ALA A 915 -0.311 -10.697 1.481 1.00 0.00 C ATOM 964 C ALA A 915 0.499 -11.865 0.946 1.00 0.00 C ATOM 965 O ALA A 915 0.175 -12.990 1.200 1.00 0.00 O ATOM 966 CB ALA A 915 -1.441 -10.357 0.531 1.00 0.00 C ATOM 0 H ALA A 915 0.351 -8.763 1.093 1.00 0.00 H new ATOM 0 HA ALA A 915 -0.754 -10.976 2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 915 -2.074 -11.233 0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 915 -2.035 -9.543 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 915 -1.028 -10.049 -0.430 1.00 0.00 H new ATOM 972 N ASN A 916 1.599 -11.578 0.255 1.00 0.00 N ATOM 973 CA ASN A 916 2.455 -12.630 -0.305 1.00 0.00 C ATOM 974 C ASN A 916 3.422 -13.189 0.723 1.00 0.00 C ATOM 975 O ASN A 916 4.158 -14.128 0.441 1.00 0.00 O ATOM 976 CB ASN A 916 3.211 -12.170 -1.569 1.00 0.00 C ATOM 977 CG ASN A 916 2.357 -12.150 -2.840 1.00 0.00 C ATOM 978 OD1 ASN A 916 1.071 -11.937 -2.708 1.00 0.00 O flip ATOM 979 ND2 ASN A 916 2.873 -12.345 -3.944 1.00 0.00 N flip ATOM 0 H ASN A 916 1.922 -10.629 0.067 1.00 0.00 H new ATOM 0 HA ASN A 916 1.780 -13.433 -0.602 1.00 0.00 H new ATOM 0 HB2 ASN A 916 3.609 -11.170 -1.397 1.00 0.00 H new ATOM 0 HB3 ASN A 916 4.064 -12.830 -1.728 1.00 0.00 H new ATOM 0 HD21 ASN A 916 3.877 -12.508 -4.016 1.00 0.00 H new ATOM 0 HD22 ASN A 916 2.295 -12.343 -4.785 1.00 0.00 H new ATOM 986 N LYS A 917 3.439 -12.609 1.905 1.00 0.00 N ATOM 987 CA LYS A 917 4.256 -13.138 2.988 1.00 0.00 C ATOM 988 C LYS A 917 3.420 -14.174 3.709 1.00 0.00 C ATOM 989 O LYS A 917 3.882 -15.272 4.031 1.00 0.00 O ATOM 990 CB LYS A 917 4.647 -12.038 3.984 1.00 0.00 C ATOM 991 CG LYS A 917 5.264 -10.797 3.358 1.00 0.00 C ATOM 992 CD LYS A 917 5.602 -9.720 4.405 1.00 0.00 C ATOM 993 CE LYS A 917 4.443 -9.477 5.381 1.00 0.00 C ATOM 994 NZ LYS A 917 4.604 -8.231 6.156 1.00 0.00 N ATOM 0 H LYS A 917 2.901 -11.776 2.144 1.00 0.00 H new ATOM 0 HA LYS A 917 5.174 -13.561 2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 917 3.759 -11.742 4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 917 5.353 -12.454 4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 917 6.171 -11.076 2.822 1.00 0.00 H new ATOM 0 HG3 LYS A 917 4.574 -10.382 2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 917 6.487 -10.024 4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 917 5.849 -8.787 3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 917 3.507 -9.436 4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 917 4.368 -10.320 6.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 3.937 -8.230 6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 5.577 -8.171 6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 4.412 -7.413 5.543 1.00 0.00 H new ATOM 1008 N ILE A 918 2.167 -13.802 3.935 1.00 0.00 N ATOM 1009 CA ILE A 918 1.193 -14.661 4.581 1.00 0.00 C ATOM 1010 C ILE A 918 0.794 -15.768 3.610 1.00 0.00 C ATOM 1011 O ILE A 918 0.842 -16.967 3.931 1.00 0.00 O ATOM 1012 CB ILE A 918 -0.068 -13.845 4.992 1.00 0.00 C ATOM 1013 CG1 ILE A 918 0.337 -12.671 5.903 1.00 0.00 C ATOM 1014 CG2 ILE A 918 -1.085 -14.749 5.701 1.00 0.00 C ATOM 1015 CD1 ILE A 918 -0.805 -11.747 6.278 1.00 0.00 C ATOM 0 H ILE A 918 1.799 -12.888 3.672 1.00 0.00 H new ATOM 0 HA ILE A 918 1.633 -15.091 5.481 1.00 0.00 H new ATOM 0 HB ILE A 918 -0.535 -13.445 4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 918 0.779 -13.071 6.815 1.00 0.00 H new ATOM 0 HG13 ILE A 918 1.110 -12.088 5.402 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -1.960 -14.162 5.981 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -1.387 -15.553 5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -0.632 -15.175 6.596 1.00 0.00 H new ATOM 0 HD11 ILE A 918 -0.432 -10.949 6.920 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -1.235 -11.315 5.374 1.00 0.00 H new ATOM 0 HD13 ILE A 918 -1.571 -12.312 6.809 1.00 0.00 H new