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 11:sc= 2.28 USER MOD Set 1.2: A 873 CYS SG : rot -70:sc= 0.272 USER MOD Set 1.3: A 880 SER OG : rot 28:sc= 1.26 USER MOD Set 1.4: A 893 HIS : no HE2:sc= -0.383 K(o=1.6,f=-0.02) USER MOD Set 1.5: A 896 CYS SG : rot -150:sc= -1.83! USER MOD Set 2.1: A 885 CYS SG : rot -180:sc= -0.772! USER MOD Set 2.2: A 888 CYS SG : rot -43:sc= 0.515 USER MOD Set 2.3: A 911 CYS SG : rot -119:sc= -2.38! USER MOD Set 2.4: A 914 CYS SG : rot 85:sc= -1.83! USER MOD Set 2.5: A 917 LYS NZ :NH3+ 145:sc= 1.25 (180deg=0.542) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.49) USER MOD Single : A 866 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 874 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 882 MET CE :methyl -115:sc=-0.00544 (180deg=-0.35) USER MOD Single : A 892 TYR OH : rot 180:sc= -1.27 USER MOD Single : A 900 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 908 GLN :FLIP amide:sc=-0.00348 F(o=-0.69,f=-0.0035) USER MOD Single : A 913 LYS NZ :NH3+ 158:sc= -0.076 (180deg=-0.492) USER MOD Single : A 916 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 857 9.103 5.532 -3.482 1.00 0.00 N ATOM 93 CA TYR A 857 7.665 5.413 -3.671 1.00 0.00 C ATOM 94 C TYR A 857 6.925 6.495 -2.885 1.00 0.00 C ATOM 95 O TYR A 857 5.708 6.464 -2.747 1.00 0.00 O ATOM 96 CB TYR A 857 7.183 4.019 -3.265 1.00 0.00 C ATOM 97 CG TYR A 857 7.812 2.902 -4.073 1.00 0.00 C ATOM 98 CD1 TYR A 857 7.239 2.462 -5.254 1.00 0.00 C ATOM 99 CD2 TYR A 857 8.984 2.291 -3.652 1.00 0.00 C ATOM 100 CE1 TYR A 857 7.812 1.447 -5.989 1.00 0.00 C ATOM 101 CE2 TYR A 857 9.561 1.283 -4.376 1.00 0.00 C ATOM 102 CZ TYR A 857 8.976 0.862 -5.542 1.00 0.00 C ATOM 103 OH TYR A 857 9.557 -0.151 -6.264 1.00 0.00 O ATOM 0 HA TYR A 857 7.445 5.554 -4.729 1.00 0.00 H new ATOM 0 HB2 TYR A 857 7.402 3.861 -2.209 1.00 0.00 H new ATOM 0 HB3 TYR A 857 6.100 3.971 -3.376 1.00 0.00 H new ATOM 0 HD1 TYR A 857 6.327 2.922 -5.605 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.451 2.617 -2.734 1.00 0.00 H new ATOM 0 HE1 TYR A 857 7.352 1.113 -6.908 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.474 0.821 -4.030 1.00 0.00 H new ATOM 0 HH TYR A 857 10.372 -0.451 -5.810 1.00 0.00 H new ATOM 113 N VAL A 858 7.676 7.434 -2.368 1.00 0.00 N ATOM 114 CA VAL A 858 7.140 8.577 -1.682 1.00 0.00 C ATOM 115 C VAL A 858 7.772 9.814 -2.291 1.00 0.00 C ATOM 116 O VAL A 858 8.972 10.046 -2.141 1.00 0.00 O ATOM 117 CB VAL A 858 7.411 8.549 -0.141 1.00 0.00 C ATOM 118 CG1 VAL A 858 6.784 9.762 0.543 1.00 0.00 C ATOM 119 CG2 VAL A 858 6.885 7.262 0.491 1.00 0.00 C ATOM 0 H VAL A 858 8.695 7.423 -2.414 1.00 0.00 H new ATOM 0 HA VAL A 858 6.057 8.575 -1.801 1.00 0.00 H new ATOM 0 HB VAL A 858 8.491 8.585 0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 858 6.986 9.721 1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 858 7.211 10.675 0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 858 5.707 9.757 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 858 7.088 7.273 1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 858 5.810 7.189 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 858 7.381 6.404 0.036 1.00 0.00 H new ATOM 129 N ILE A 859 6.986 10.555 -3.014 1.00 0.00 N ATOM 130 CA ILE A 859 7.439 11.758 -3.665 1.00 0.00 C ATOM 131 C ILE A 859 6.943 12.929 -2.849 1.00 0.00 C ATOM 132 O ILE A 859 5.895 12.833 -2.191 1.00 0.00 O ATOM 133 CB ILE A 859 6.881 11.859 -5.130 1.00 0.00 C ATOM 134 CG1 ILE A 859 7.265 10.606 -5.928 1.00 0.00 C ATOM 135 CG2 ILE A 859 7.405 13.115 -5.837 1.00 0.00 C ATOM 136 CD1 ILE A 859 6.744 10.601 -7.352 1.00 0.00 C ATOM 0 H ILE A 859 6.001 10.343 -3.173 1.00 0.00 H new ATOM 0 HA ILE A 859 8.527 11.753 -3.730 1.00 0.00 H new ATOM 0 HB ILE A 859 5.795 11.930 -5.074 1.00 0.00 H new ATOM 0 HG12 ILE A 859 8.351 10.519 -5.949 1.00 0.00 H new ATOM 0 HG13 ILE A 859 6.885 9.726 -5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 859 7.002 13.158 -6.849 1.00 0.00 H new ATOM 0 HG22 ILE A 859 7.093 14.001 -5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 859 8.494 13.080 -5.881 1.00 0.00 H new ATOM 0 HD11 ILE A 859 7.057 9.684 -7.851 1.00 0.00 H new ATOM 0 HD12 ILE A 859 5.655 10.655 -7.341 1.00 0.00 H new ATOM 0 HD13 ILE A 859 7.145 11.461 -7.889 1.00 0.00 H new ATOM 148 N ARG A 860 7.674 13.998 -2.832 1.00 0.00 N ATOM 149 CA ARG A 860 7.235 15.143 -2.108 1.00 0.00 C ATOM 150 C ARG A 860 6.563 16.093 -3.042 1.00 0.00 C ATOM 151 O ARG A 860 7.141 16.504 -4.061 1.00 0.00 O ATOM 152 CB ARG A 860 8.386 15.846 -1.405 1.00 0.00 C ATOM 153 CG ARG A 860 9.153 14.953 -0.469 1.00 0.00 C ATOM 154 CD ARG A 860 10.308 15.685 0.153 1.00 0.00 C ATOM 155 NE ARG A 860 11.109 14.793 0.968 1.00 0.00 N ATOM 156 CZ ARG A 860 12.428 14.698 0.922 1.00 0.00 C ATOM 157 NH1 ARG A 860 13.133 15.480 0.109 1.00 0.00 N ATOM 158 NH2 ARG A 860 13.040 13.801 1.677 1.00 0.00 N ATOM 0 H ARG A 860 8.570 14.100 -3.308 1.00 0.00 H new ATOM 0 HA ARG A 860 6.535 14.807 -1.343 1.00 0.00 H new ATOM 0 HB2 ARG A 860 9.069 16.246 -2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 860 7.995 16.695 -0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 860 8.489 14.584 0.313 1.00 0.00 H new ATOM 0 HG3 ARG A 860 9.520 14.082 -1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 860 10.928 16.125 -0.628 1.00 0.00 H new ATOM 0 HD3 ARG A 860 9.936 16.507 0.765 1.00 0.00 H new ATOM 0 HE ARG A 860 10.617 14.191 1.629 1.00 0.00 H new ATOM 0 HH11 ARG A 860 12.657 16.159 -0.485 1.00 0.00 H new ATOM 0 HH12 ARG A 860 14.149 15.401 0.080 1.00 0.00 H new ATOM 0 HH21 ARG A 860 12.496 13.191 2.287 1.00 0.00 H new ATOM 0 HH22 ARG A 860 14.056 13.719 1.649 1.00 0.00 H new ATOM 172 N ASP A 861 5.339 16.405 -2.730 1.00 0.00 N ATOM 173 CA ASP A 861 4.587 17.430 -3.432 1.00 0.00 C ATOM 174 C ASP A 861 5.271 18.751 -3.171 1.00 0.00 C ATOM 175 O ASP A 861 6.071 18.860 -2.244 1.00 0.00 O ATOM 176 CB ASP A 861 3.150 17.447 -2.895 1.00 0.00 C ATOM 177 CG ASP A 861 2.262 18.586 -3.348 1.00 0.00 C ATOM 178 OD1 ASP A 861 2.255 19.634 -2.679 1.00 0.00 O ATOM 179 OD2 ASP A 861 1.535 18.446 -4.348 1.00 0.00 O ATOM 0 H ASP A 861 4.820 15.956 -1.975 1.00 0.00 H new ATOM 0 HA ASP A 861 4.551 17.238 -4.504 1.00 0.00 H new ATOM 0 HB2 ASP A 861 2.671 16.510 -3.179 1.00 0.00 H new ATOM 0 HB3 ASP A 861 3.195 17.465 -1.806 1.00 0.00 H new ATOM 184 N GLU A 862 4.937 19.732 -3.924 1.00 0.00 N ATOM 185 CA GLU A 862 5.581 21.036 -3.829 1.00 0.00 C ATOM 186 C GLU A 862 5.380 21.679 -2.458 1.00 0.00 C ATOM 187 O GLU A 862 6.245 22.410 -1.972 1.00 0.00 O ATOM 188 CB GLU A 862 5.124 21.968 -4.948 1.00 0.00 C ATOM 189 CG GLU A 862 3.638 22.223 -4.989 1.00 0.00 C ATOM 190 CD GLU A 862 3.266 23.148 -6.098 1.00 0.00 C ATOM 191 OE1 GLU A 862 3.016 22.671 -7.224 1.00 0.00 O ATOM 192 OE2 GLU A 862 3.231 24.372 -5.875 1.00 0.00 O ATOM 0 H GLU A 862 4.208 19.677 -4.635 1.00 0.00 H new ATOM 0 HA GLU A 862 6.651 20.868 -3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 862 5.640 22.922 -4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 862 5.433 21.545 -5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 862 3.110 21.277 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 862 3.315 22.647 -4.038 1.00 0.00 H new ATOM 199 N TRP A 863 4.268 21.371 -1.807 1.00 0.00 N ATOM 200 CA TRP A 863 4.019 21.928 -0.497 1.00 0.00 C ATOM 201 C TRP A 863 4.499 20.945 0.587 1.00 0.00 C ATOM 202 O TRP A 863 4.366 21.175 1.789 1.00 0.00 O ATOM 203 CB TRP A 863 2.536 22.281 -0.334 1.00 0.00 C ATOM 204 CG TRP A 863 2.299 23.220 0.794 1.00 0.00 C ATOM 205 CD1 TRP A 863 1.717 22.951 1.995 1.00 0.00 C ATOM 206 CD2 TRP A 863 2.687 24.590 0.828 1.00 0.00 C ATOM 207 NE1 TRP A 863 1.714 24.088 2.773 1.00 0.00 N ATOM 208 CE2 TRP A 863 2.309 25.102 2.074 1.00 0.00 C ATOM 209 CE3 TRP A 863 3.320 25.432 -0.086 1.00 0.00 C ATOM 210 CZ2 TRP A 863 2.541 26.418 2.430 1.00 0.00 C ATOM 211 CZ3 TRP A 863 3.552 26.737 0.269 1.00 0.00 C ATOM 212 CH2 TRP A 863 3.164 27.217 1.518 1.00 0.00 C ATOM 0 H TRP A 863 3.540 20.750 -2.160 1.00 0.00 H new ATOM 0 HA TRP A 863 4.583 22.854 -0.385 1.00 0.00 H new ATOM 0 HB2 TRP A 863 2.167 22.727 -1.258 1.00 0.00 H new ATOM 0 HB3 TRP A 863 1.964 21.368 -0.170 1.00 0.00 H new ATOM 0 HD1 TRP A 863 1.318 21.992 2.293 1.00 0.00 H new ATOM 0 HE1 TRP A 863 1.331 24.162 3.715 1.00 0.00 H new ATOM 0 HE3 TRP A 863 3.622 25.064 -1.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 2.240 26.799 3.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 4.042 27.400 -0.429 1.00 0.00 H new ATOM 0 HH2 TRP A 863 3.362 28.248 1.770 1.00 0.00 H new ATOM 223 N GLY A 864 5.091 19.865 0.137 1.00 0.00 N ATOM 224 CA GLY A 864 5.608 18.859 1.023 1.00 0.00 C ATOM 225 C GLY A 864 4.575 17.842 1.400 1.00 0.00 C ATOM 226 O GLY A 864 4.687 17.185 2.431 1.00 0.00 O ATOM 0 H GLY A 864 5.226 19.662 -0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 864 6.450 18.357 0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 864 5.990 19.336 1.926 1.00 0.00 H new ATOM 230 N ASN A 865 3.556 17.716 0.586 1.00 0.00 N ATOM 231 CA ASN A 865 2.536 16.704 0.814 1.00 0.00 C ATOM 232 C ASN A 865 3.093 15.360 0.386 1.00 0.00 C ATOM 233 O ASN A 865 3.917 15.292 -0.540 1.00 0.00 O ATOM 234 CB ASN A 865 1.224 16.995 0.047 1.00 0.00 C ATOM 235 CG ASN A 865 0.555 18.311 0.416 1.00 0.00 C ATOM 236 OD1 ASN A 865 -0.219 18.380 1.366 1.00 0.00 O ATOM 237 ND2 ASN A 865 0.793 19.347 -0.357 1.00 0.00 N ATOM 0 H ASN A 865 3.405 18.296 -0.239 1.00 0.00 H new ATOM 0 HA ASN A 865 2.286 16.707 1.875 1.00 0.00 H new ATOM 0 HB2 ASN A 865 1.436 16.997 -1.022 1.00 0.00 H new ATOM 0 HB3 ASN A 865 0.522 16.181 0.231 1.00 0.00 H new ATOM 0 HD21 ASN A 865 0.329 20.237 -0.174 1.00 0.00 H new ATOM 0 HD22 ASN A 865 1.441 19.261 -1.140 1.00 0.00 H new ATOM 244 N GLN A 866 2.683 14.315 1.047 1.00 0.00 N ATOM 245 CA GLN A 866 3.182 12.987 0.752 1.00 0.00 C ATOM 246 C GLN A 866 2.500 12.389 -0.445 1.00 0.00 C ATOM 247 O GLN A 866 1.300 12.132 -0.430 1.00 0.00 O ATOM 248 CB GLN A 866 3.036 12.061 1.951 1.00 0.00 C ATOM 249 CG GLN A 866 4.014 12.342 3.067 1.00 0.00 C ATOM 250 CD GLN A 866 3.719 11.553 4.340 1.00 0.00 C ATOM 251 OE1 GLN A 866 3.113 10.399 4.205 1.00 0.00 O flip ATOM 252 NE2 GLN A 866 4.027 11.997 5.443 1.00 0.00 N flip ATOM 0 H GLN A 866 1.998 14.351 1.802 1.00 0.00 H new ATOM 0 HA GLN A 866 4.242 13.094 0.522 1.00 0.00 H new ATOM 0 HB2 GLN A 866 2.022 12.145 2.341 1.00 0.00 H new ATOM 0 HB3 GLN A 866 3.165 11.031 1.619 1.00 0.00 H new ATOM 0 HG2 GLN A 866 5.022 12.105 2.726 1.00 0.00 H new ATOM 0 HG3 GLN A 866 3.997 13.408 3.296 1.00 0.00 H new ATOM 0 HE21 GLN A 866 4.498 12.899 5.516 1.00 0.00 H new ATOM 0 HE22 GLN A 866 3.812 11.464 6.286 1.00 0.00 H new ATOM 261 N ILE A 867 3.250 12.204 -1.475 1.00 0.00 N ATOM 262 CA ILE A 867 2.764 11.557 -2.655 1.00 0.00 C ATOM 263 C ILE A 867 3.190 10.126 -2.594 1.00 0.00 C ATOM 264 O ILE A 867 4.378 9.822 -2.552 1.00 0.00 O ATOM 265 CB ILE A 867 3.315 12.195 -3.946 1.00 0.00 C ATOM 266 CG1 ILE A 867 2.870 13.651 -4.076 1.00 0.00 C ATOM 267 CG2 ILE A 867 2.905 11.386 -5.182 1.00 0.00 C ATOM 268 CD1 ILE A 867 1.371 13.828 -4.190 1.00 0.00 C ATOM 0 H ILE A 867 4.225 12.497 -1.528 1.00 0.00 H new ATOM 0 HA ILE A 867 1.679 11.658 -2.686 1.00 0.00 H new ATOM 0 HB ILE A 867 4.403 12.181 -3.882 1.00 0.00 H new ATOM 0 HG12 ILE A 867 3.227 14.208 -3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 867 3.345 14.089 -4.954 1.00 0.00 H new ATOM 0 HG21 ILE A 867 3.308 11.860 -6.077 1.00 0.00 H new ATOM 0 HG22 ILE A 867 3.298 10.372 -5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 867 1.818 11.350 -5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 867 1.136 14.889 -4.279 1.00 0.00 H new ATOM 0 HD12 ILE A 867 1.008 13.301 -5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 867 0.888 13.422 -3.301 1.00 0.00 H new ATOM 280 N TRP A 868 2.253 9.268 -2.575 1.00 0.00 N ATOM 281 CA TRP A 868 2.536 7.870 -2.464 1.00 0.00 C ATOM 282 C TRP A 868 2.462 7.219 -3.802 1.00 0.00 C ATOM 283 O TRP A 868 1.700 7.651 -4.672 1.00 0.00 O ATOM 284 CB TRP A 868 1.557 7.195 -1.532 1.00 0.00 C ATOM 285 CG TRP A 868 1.569 7.731 -0.145 1.00 0.00 C ATOM 286 CD1 TRP A 868 2.516 7.515 0.808 1.00 0.00 C ATOM 287 CD2 TRP A 868 0.577 8.565 0.449 1.00 0.00 C ATOM 288 NE1 TRP A 868 2.170 8.165 1.967 1.00 0.00 N ATOM 289 CE2 TRP A 868 0.980 8.819 1.767 1.00 0.00 C ATOM 290 CE3 TRP A 868 -0.618 9.120 -0.015 1.00 0.00 C ATOM 291 CZ2 TRP A 868 0.232 9.605 2.627 1.00 0.00 C ATOM 292 CZ3 TRP A 868 -1.359 9.901 0.841 1.00 0.00 C ATOM 293 CH2 TRP A 868 -0.929 10.136 2.147 1.00 0.00 C ATOM 0 H TRP A 868 1.261 9.499 -2.635 1.00 0.00 H new ATOM 0 HA TRP A 868 3.543 7.765 -2.060 1.00 0.00 H new ATOM 0 HB2 TRP A 868 0.552 7.299 -1.941 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.779 6.128 -1.500 1.00 0.00 H new ATOM 0 HD1 TRP A 868 3.407 6.921 0.673 1.00 0.00 H new ATOM 0 HE1 TRP A 868 2.708 8.162 2.833 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -0.953 8.939 -1.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 0.556 9.791 3.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -2.285 10.338 0.498 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -1.531 10.755 2.795 1.00 0.00 H new ATOM 304 N ILE A 869 3.275 6.236 -3.983 1.00 0.00 N ATOM 305 CA ILE A 869 3.268 5.431 -5.154 1.00 0.00 C ATOM 306 C ILE A 869 2.840 4.039 -4.785 1.00 0.00 C ATOM 307 O ILE A 869 3.310 3.481 -3.794 1.00 0.00 O ATOM 308 CB ILE A 869 4.649 5.420 -5.884 1.00 0.00 C ATOM 309 CG1 ILE A 869 4.968 6.825 -6.415 1.00 0.00 C ATOM 310 CG2 ILE A 869 4.681 4.391 -7.016 1.00 0.00 C ATOM 311 CD1 ILE A 869 6.225 6.924 -7.246 1.00 0.00 C ATOM 0 H ILE A 869 3.983 5.963 -3.301 1.00 0.00 H new ATOM 0 HA ILE A 869 2.559 5.862 -5.861 1.00 0.00 H new ATOM 0 HB ILE A 869 5.413 5.129 -5.163 1.00 0.00 H new ATOM 0 HG12 ILE A 869 4.126 7.170 -7.015 1.00 0.00 H new ATOM 0 HG13 ILE A 869 5.056 7.506 -5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 869 5.657 4.413 -7.500 1.00 0.00 H new ATOM 0 HG22 ILE A 869 4.500 3.396 -6.609 1.00 0.00 H new ATOM 0 HG23 ILE A 869 3.908 4.630 -7.747 1.00 0.00 H new ATOM 0 HD11 ILE A 869 6.364 7.954 -7.574 1.00 0.00 H new ATOM 0 HD12 ILE A 869 7.082 6.615 -6.648 1.00 0.00 H new ATOM 0 HD13 ILE A 869 6.138 6.274 -8.117 1.00 0.00 H new ATOM 323 N CYS A 870 1.928 3.530 -5.559 1.00 0.00 N ATOM 324 CA CYS A 870 1.395 2.235 -5.442 1.00 0.00 C ATOM 325 C CYS A 870 2.323 1.322 -6.234 1.00 0.00 C ATOM 326 O CYS A 870 2.349 1.387 -7.462 1.00 0.00 O ATOM 327 CB CYS A 870 -0.011 2.290 -6.081 1.00 0.00 C ATOM 328 SG CYS A 870 -1.016 0.785 -6.103 1.00 0.00 S ATOM 0 H CYS A 870 1.521 4.054 -6.333 1.00 0.00 H new ATOM 0 HA CYS A 870 1.316 1.874 -4.417 1.00 0.00 H new ATOM 0 HB2 CYS A 870 -0.581 3.060 -5.561 1.00 0.00 H new ATOM 0 HB3 CYS A 870 0.107 2.623 -7.112 1.00 0.00 H new ATOM 0 HG CYS A 870 -0.471 -0.112 -5.336 1.00 0.00 H new ATOM 333 N PRO A 871 3.131 0.497 -5.560 1.00 0.00 N ATOM 334 CA PRO A 871 4.102 -0.398 -6.219 1.00 0.00 C ATOM 335 C PRO A 871 3.454 -1.486 -7.086 1.00 0.00 C ATOM 336 O PRO A 871 4.145 -2.325 -7.651 1.00 0.00 O ATOM 337 CB PRO A 871 4.863 -1.037 -5.053 1.00 0.00 C ATOM 338 CG PRO A 871 4.583 -0.167 -3.883 1.00 0.00 C ATOM 339 CD PRO A 871 3.216 0.403 -4.098 1.00 0.00 C ATOM 0 HA PRO A 871 4.731 0.162 -6.911 1.00 0.00 H new ATOM 0 HB2 PRO A 871 4.525 -2.058 -4.875 1.00 0.00 H new ATOM 0 HB3 PRO A 871 5.932 -1.087 -5.260 1.00 0.00 H new ATOM 0 HG2 PRO A 871 4.624 -0.738 -2.956 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.326 0.626 -3.802 1.00 0.00 H new ATOM 0 HD2 PRO A 871 2.439 -0.243 -3.688 1.00 0.00 H new ATOM 0 HD3 PRO A 871 3.104 1.377 -3.623 1.00 0.00 H new ATOM 347 N GLY A 872 2.141 -1.483 -7.166 1.00 0.00 N ATOM 348 CA GLY A 872 1.462 -2.423 -8.007 1.00 0.00 C ATOM 349 C GLY A 872 1.548 -1.997 -9.453 1.00 0.00 C ATOM 350 O GLY A 872 1.958 -2.774 -10.320 1.00 0.00 O ATOM 0 H GLY A 872 1.532 -0.841 -6.659 1.00 0.00 H new ATOM 0 HA2 GLY A 872 1.903 -3.413 -7.886 1.00 0.00 H new ATOM 0 HA3 GLY A 872 0.417 -2.501 -7.706 1.00 0.00 H new ATOM 354 N CYS A 873 1.205 -0.756 -9.696 1.00 0.00 N ATOM 355 CA CYS A 873 1.189 -0.189 -11.021 1.00 0.00 C ATOM 356 C CYS A 873 2.420 0.681 -11.238 1.00 0.00 C ATOM 357 O CYS A 873 2.793 0.991 -12.379 1.00 0.00 O ATOM 358 CB CYS A 873 -0.053 0.658 -11.091 1.00 0.00 C ATOM 359 SG CYS A 873 -0.230 1.689 -9.616 1.00 0.00 S ATOM 0 H CYS A 873 0.925 -0.101 -8.966 1.00 0.00 H new ATOM 0 HA CYS A 873 1.195 -0.965 -11.786 1.00 0.00 H new ATOM 0 HB2 CYS A 873 -0.014 1.291 -11.977 1.00 0.00 H new ATOM 0 HB3 CYS A 873 -0.928 0.016 -11.196 1.00 0.00 H new ATOM 0 HG CYS A 873 -0.513 0.938 -8.593 1.00 0.00 H new ATOM 364 N ASN A 874 3.024 1.077 -10.113 1.00 0.00 N ATOM 365 CA ASN A 874 4.204 1.953 -10.038 1.00 0.00 C ATOM 366 C ASN A 874 3.792 3.390 -10.264 1.00 0.00 C ATOM 367 O ASN A 874 4.616 4.254 -10.547 1.00 0.00 O ATOM 368 CB ASN A 874 5.347 1.539 -11.005 1.00 0.00 C ATOM 369 CG ASN A 874 5.902 0.162 -10.708 1.00 0.00 C ATOM 370 OD1 ASN A 874 6.812 0.010 -9.907 1.00 0.00 O ATOM 371 ND2 ASN A 874 5.375 -0.847 -11.366 1.00 0.00 N ATOM 0 H ASN A 874 2.694 0.786 -9.193 1.00 0.00 H new ATOM 0 HA ASN A 874 4.617 1.845 -9.035 1.00 0.00 H new ATOM 0 HB2 ASN A 874 4.975 1.562 -12.029 1.00 0.00 H new ATOM 0 HB3 ASN A 874 6.152 2.271 -10.942 1.00 0.00 H new ATOM 0 HD21 ASN A 874 5.725 -1.793 -11.215 1.00 0.00 H new ATOM 0 HD22 ASN A 874 4.616 -0.684 -12.028 1.00 0.00 H new ATOM 378 N LYS A 875 2.514 3.657 -10.084 1.00 0.00 N ATOM 379 CA LYS A 875 1.984 4.979 -10.288 1.00 0.00 C ATOM 380 C LYS A 875 1.739 5.684 -8.960 1.00 0.00 C ATOM 381 O LYS A 875 1.330 5.054 -7.973 1.00 0.00 O ATOM 382 CB LYS A 875 0.687 4.919 -11.091 1.00 0.00 C ATOM 383 CG LYS A 875 0.848 4.265 -12.442 1.00 0.00 C ATOM 384 CD LYS A 875 -0.477 4.108 -13.155 1.00 0.00 C ATOM 385 CE LYS A 875 -0.288 3.363 -14.459 1.00 0.00 C ATOM 386 NZ LYS A 875 -1.555 3.154 -15.180 1.00 0.00 N ATOM 0 H LYS A 875 1.823 2.965 -9.794 1.00 0.00 H new ATOM 0 HA LYS A 875 2.724 5.550 -10.850 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -0.062 4.372 -10.518 1.00 0.00 H new ATOM 0 HB3 LYS A 875 0.306 5.931 -11.229 1.00 0.00 H new ATOM 0 HG2 LYS A 875 1.522 4.862 -13.056 1.00 0.00 H new ATOM 0 HG3 LYS A 875 1.312 3.286 -12.319 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -1.178 3.568 -12.519 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -0.912 5.089 -13.348 1.00 0.00 H new ATOM 0 HE2 LYS A 875 0.400 3.920 -15.095 1.00 0.00 H new ATOM 0 HE3 LYS A 875 0.175 2.397 -14.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -1.370 2.640 -16.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -2.205 2.599 -14.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -1.986 4.075 -15.398 1.00 0.00 H new ATOM 400 N PRO A 876 2.039 6.985 -8.905 1.00 0.00 N ATOM 401 CA PRO A 876 1.760 7.823 -7.742 1.00 0.00 C ATOM 402 C PRO A 876 0.271 8.167 -7.624 1.00 0.00 C ATOM 403 O PRO A 876 -0.541 7.814 -8.505 1.00 0.00 O ATOM 404 CB PRO A 876 2.567 9.102 -8.015 1.00 0.00 C ATOM 405 CG PRO A 876 2.718 9.157 -9.493 1.00 0.00 C ATOM 406 CD PRO A 876 2.726 7.734 -9.976 1.00 0.00 C ATOM 0 HA PRO A 876 2.025 7.322 -6.811 1.00 0.00 H new ATOM 0 HB2 PRO A 876 2.048 9.983 -7.639 1.00 0.00 H new ATOM 0 HB3 PRO A 876 3.538 9.069 -7.521 1.00 0.00 H new ATOM 0 HG2 PRO A 876 1.899 9.715 -9.946 1.00 0.00 H new ATOM 0 HG3 PRO A 876 3.642 9.665 -9.770 1.00 0.00 H new ATOM 0 HD2 PRO A 876 2.206 7.634 -10.929 1.00 0.00 H new ATOM 0 HD3 PRO A 876 3.742 7.370 -10.128 1.00 0.00 H new ATOM 414 N ASP A 877 -0.091 8.802 -6.522 1.00 0.00 N ATOM 415 CA ASP A 877 -1.448 9.292 -6.317 1.00 0.00 C ATOM 416 C ASP A 877 -1.856 10.239 -7.419 1.00 0.00 C ATOM 417 O ASP A 877 -1.149 11.198 -7.740 1.00 0.00 O ATOM 418 CB ASP A 877 -1.628 9.972 -4.962 1.00 0.00 C ATOM 419 CG ASP A 877 -2.975 10.669 -4.871 1.00 0.00 C ATOM 420 OD1 ASP A 877 -4.022 9.994 -4.869 1.00 0.00 O ATOM 421 OD2 ASP A 877 -3.011 11.903 -4.827 1.00 0.00 O ATOM 0 H ASP A 877 0.543 8.993 -5.746 1.00 0.00 H new ATOM 0 HA ASP A 877 -2.095 8.415 -6.337 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -1.544 9.231 -4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -0.829 10.697 -4.807 1.00 0.00 H new ATOM 426 N ASP A 878 -2.988 9.972 -7.978 1.00 0.00 N ATOM 427 CA ASP A 878 -3.496 10.728 -9.097 1.00 0.00 C ATOM 428 C ASP A 878 -4.806 11.381 -8.669 1.00 0.00 C ATOM 429 O ASP A 878 -5.730 11.580 -9.467 1.00 0.00 O ATOM 430 CB ASP A 878 -3.711 9.751 -10.268 1.00 0.00 C ATOM 431 CG ASP A 878 -4.020 10.429 -11.582 1.00 0.00 C ATOM 432 OD1 ASP A 878 -3.118 11.092 -12.142 1.00 0.00 O ATOM 433 OD2 ASP A 878 -5.159 10.296 -12.086 1.00 0.00 O ATOM 0 H ASP A 878 -3.602 9.216 -7.675 1.00 0.00 H new ATOM 0 HA ASP A 878 -2.805 11.509 -9.413 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -2.816 9.140 -10.387 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -4.528 9.074 -10.018 1.00 0.00 H new ATOM 438 N GLY A 879 -4.862 11.760 -7.401 1.00 0.00 N ATOM 439 CA GLY A 879 -6.094 12.256 -6.834 1.00 0.00 C ATOM 440 C GLY A 879 -7.000 11.083 -6.651 1.00 0.00 C ATOM 441 O GLY A 879 -8.198 11.116 -6.961 1.00 0.00 O ATOM 0 H GLY A 879 -4.073 11.732 -6.755 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -5.907 12.750 -5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -6.550 12.995 -7.492 1.00 0.00 H new ATOM 445 N SER A 880 -6.419 10.049 -6.149 1.00 0.00 N ATOM 446 CA SER A 880 -7.023 8.774 -6.086 1.00 0.00 C ATOM 447 C SER A 880 -7.139 8.283 -4.655 1.00 0.00 C ATOM 448 O SER A 880 -6.341 8.655 -3.798 1.00 0.00 O ATOM 449 CB SER A 880 -6.167 7.834 -6.926 1.00 0.00 C ATOM 450 OG SER A 880 -4.768 8.057 -6.666 1.00 0.00 O ATOM 0 H SER A 880 -5.477 10.074 -5.759 1.00 0.00 H new ATOM 0 HA SER A 880 -8.041 8.816 -6.473 1.00 0.00 H new ATOM 0 HB2 SER A 880 -6.424 6.799 -6.700 1.00 0.00 H new ATOM 0 HB3 SER A 880 -6.376 7.991 -7.984 1.00 0.00 H new ATOM 0 HG SER A 880 -4.655 8.399 -5.755 1.00 0.00 H new ATOM 456 N PRO A 881 -8.138 7.464 -4.368 1.00 0.00 N ATOM 457 CA PRO A 881 -8.301 6.894 -3.056 1.00 0.00 C ATOM 458 C PRO A 881 -7.254 5.803 -2.826 1.00 0.00 C ATOM 459 O PRO A 881 -7.140 4.835 -3.605 1.00 0.00 O ATOM 460 CB PRO A 881 -9.724 6.333 -3.068 1.00 0.00 C ATOM 461 CG PRO A 881 -10.052 6.095 -4.507 1.00 0.00 C ATOM 462 CD PRO A 881 -9.187 7.022 -5.314 1.00 0.00 C ATOM 0 HA PRO A 881 -8.162 7.613 -2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -9.785 5.408 -2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -10.426 7.035 -2.617 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -9.863 5.057 -4.779 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -11.108 6.288 -4.699 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -8.756 6.513 -6.176 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -9.759 7.867 -5.696 1.00 0.00 H new ATOM 470 N MET A 882 -6.440 5.989 -1.819 1.00 0.00 N ATOM 471 CA MET A 882 -5.395 5.041 -1.531 1.00 0.00 C ATOM 472 C MET A 882 -5.637 4.406 -0.186 1.00 0.00 C ATOM 473 O MET A 882 -6.234 5.026 0.704 1.00 0.00 O ATOM 474 CB MET A 882 -3.996 5.688 -1.602 1.00 0.00 C ATOM 475 CG MET A 882 -3.701 6.355 -2.939 1.00 0.00 C ATOM 476 SD MET A 882 -1.998 6.920 -3.118 1.00 0.00 S ATOM 477 CE MET A 882 -1.121 5.361 -3.261 1.00 0.00 C ATOM 0 H MET A 882 -6.480 6.787 -1.185 1.00 0.00 H new ATOM 0 HA MET A 882 -5.419 4.265 -2.296 1.00 0.00 H new ATOM 0 HB2 MET A 882 -3.907 6.429 -0.808 1.00 0.00 H new ATOM 0 HB3 MET A 882 -3.242 4.925 -1.412 1.00 0.00 H new ATOM 0 HG2 MET A 882 -3.926 5.652 -3.741 1.00 0.00 H new ATOM 0 HG3 MET A 882 -4.370 7.206 -3.064 1.00 0.00 H new ATOM 0 HE1 MET A 882 -0.462 5.234 -2.402 1.00 0.00 H new ATOM 0 HE2 MET A 882 -1.839 4.541 -3.292 1.00 0.00 H new ATOM 0 HE3 MET A 882 -0.529 5.359 -4.176 1.00 0.00 H new ATOM 487 N ILE A 883 -5.196 3.193 -0.046 1.00 0.00 N ATOM 488 CA ILE A 883 -5.383 2.421 1.156 1.00 0.00 C ATOM 489 C ILE A 883 -4.010 1.973 1.683 1.00 0.00 C ATOM 490 O ILE A 883 -3.119 1.658 0.891 1.00 0.00 O ATOM 491 CB ILE A 883 -6.332 1.198 0.883 1.00 0.00 C ATOM 492 CG1 ILE A 883 -6.551 0.377 2.155 1.00 0.00 C ATOM 493 CG2 ILE A 883 -5.815 0.331 -0.268 1.00 0.00 C ATOM 494 CD1 ILE A 883 -7.631 -0.666 2.023 1.00 0.00 C ATOM 0 H ILE A 883 -4.685 2.697 -0.776 1.00 0.00 H new ATOM 0 HA ILE A 883 -5.864 3.033 1.919 1.00 0.00 H new ATOM 0 HB ILE A 883 -7.301 1.592 0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 883 -5.616 -0.113 2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 883 -6.807 1.051 2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 883 -6.496 -0.505 -0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 883 -5.756 0.930 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 883 -4.825 -0.051 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 883 -7.730 -1.208 2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 883 -8.577 -0.181 1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 883 -7.368 -1.363 1.228 1.00 0.00 H new ATOM 506 N GLY A 884 -3.826 2.009 2.994 1.00 0.00 N ATOM 507 CA GLY A 884 -2.543 1.656 3.577 1.00 0.00 C ATOM 508 C GLY A 884 -2.579 0.317 4.271 1.00 0.00 C ATOM 509 O GLY A 884 -3.604 -0.050 4.879 1.00 0.00 O ATOM 0 H GLY A 884 -4.543 2.277 3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 884 -1.784 1.637 2.795 1.00 0.00 H new ATOM 0 HA3 GLY A 884 -2.247 2.425 4.291 1.00 0.00 H new ATOM 513 N CYS A 885 -1.481 -0.411 4.191 1.00 0.00 N ATOM 514 CA CYS A 885 -1.377 -1.729 4.775 1.00 0.00 C ATOM 515 C CYS A 885 -1.351 -1.680 6.309 1.00 0.00 C ATOM 516 O CYS A 885 -0.845 -0.723 6.916 1.00 0.00 O ATOM 517 CB CYS A 885 -0.124 -2.444 4.240 1.00 0.00 C ATOM 518 SG CYS A 885 0.107 -4.155 4.812 1.00 0.00 S ATOM 0 H CYS A 885 -0.634 -0.100 3.716 1.00 0.00 H new ATOM 0 HA CYS A 885 -2.266 -2.290 4.485 1.00 0.00 H new ATOM 0 HB2 CYS A 885 -0.166 -2.446 3.151 1.00 0.00 H new ATOM 0 HB3 CYS A 885 0.753 -1.863 4.524 1.00 0.00 H new ATOM 0 HG CYS A 885 1.195 -4.643 4.293 1.00 0.00 H new ATOM 523 N ASP A 886 -1.904 -2.710 6.907 1.00 0.00 N ATOM 524 CA ASP A 886 -1.931 -2.886 8.360 1.00 0.00 C ATOM 525 C ASP A 886 -0.613 -3.471 8.844 1.00 0.00 C ATOM 526 O ASP A 886 -0.215 -3.276 9.992 1.00 0.00 O ATOM 527 CB ASP A 886 -3.109 -3.800 8.764 1.00 0.00 C ATOM 528 CG ASP A 886 -3.113 -4.208 10.232 1.00 0.00 C ATOM 529 OD1 ASP A 886 -3.281 -3.350 11.118 1.00 0.00 O ATOM 530 OD2 ASP A 886 -3.012 -5.415 10.522 1.00 0.00 O ATOM 0 H ASP A 886 -2.358 -3.468 6.398 1.00 0.00 H new ATOM 0 HA ASP A 886 -2.070 -1.912 8.830 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -4.044 -3.288 8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -3.083 -4.700 8.149 1.00 0.00 H new ATOM 535 N ASP A 887 0.085 -4.160 7.959 1.00 0.00 N ATOM 536 CA ASP A 887 1.363 -4.771 8.323 1.00 0.00 C ATOM 537 C ASP A 887 2.448 -3.734 8.317 1.00 0.00 C ATOM 538 O ASP A 887 3.175 -3.565 9.307 1.00 0.00 O ATOM 539 CB ASP A 887 1.748 -5.929 7.381 1.00 0.00 C ATOM 540 CG ASP A 887 3.117 -6.537 7.704 1.00 0.00 C ATOM 541 OD1 ASP A 887 4.152 -6.064 7.177 1.00 0.00 O ATOM 542 OD2 ASP A 887 3.187 -7.514 8.479 1.00 0.00 O ATOM 0 H ASP A 887 -0.202 -4.313 6.992 1.00 0.00 H new ATOM 0 HA ASP A 887 1.248 -5.185 9.325 1.00 0.00 H new ATOM 0 HB2 ASP A 887 0.988 -6.708 7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 887 1.751 -5.567 6.353 1.00 0.00 H new ATOM 547 N CYS A 888 2.547 -3.012 7.234 1.00 0.00 N ATOM 548 CA CYS A 888 3.578 -2.046 7.115 1.00 0.00 C ATOM 549 C CYS A 888 3.067 -0.621 7.218 1.00 0.00 C ATOM 550 O CYS A 888 2.880 -0.084 8.330 1.00 0.00 O ATOM 551 CB CYS A 888 4.386 -2.280 5.827 1.00 0.00 C ATOM 552 SG CYS A 888 3.401 -2.417 4.289 1.00 0.00 S ATOM 0 H CYS A 888 1.923 -3.082 6.430 1.00 0.00 H new ATOM 0 HA CYS A 888 4.247 -2.177 7.966 1.00 0.00 H new ATOM 0 HB2 CYS A 888 5.096 -1.461 5.711 1.00 0.00 H new ATOM 0 HB3 CYS A 888 4.969 -3.193 5.946 1.00 0.00 H new ATOM 0 HG CYS A 888 2.353 -3.154 4.509 1.00 0.00 H new ATOM 557 N ASP A 889 2.775 -0.055 6.071 1.00 0.00 N ATOM 558 CA ASP A 889 2.397 1.350 5.939 1.00 0.00 C ATOM 559 C ASP A 889 2.137 1.686 4.503 1.00 0.00 C ATOM 560 O ASP A 889 1.293 2.510 4.212 1.00 0.00 O ATOM 561 CB ASP A 889 3.537 2.259 6.442 1.00 0.00 C ATOM 562 CG ASP A 889 3.271 3.735 6.254 1.00 0.00 C ATOM 563 OD1 ASP A 889 2.465 4.307 7.022 1.00 0.00 O ATOM 564 OD2 ASP A 889 3.912 4.370 5.379 1.00 0.00 O ATOM 0 H ASP A 889 2.791 -0.558 5.184 1.00 0.00 H new ATOM 0 HA ASP A 889 1.497 1.512 6.532 1.00 0.00 H new ATOM 0 HB2 ASP A 889 3.705 2.062 7.501 1.00 0.00 H new ATOM 0 HB3 ASP A 889 4.456 1.996 5.919 1.00 0.00 H new ATOM 569 N ASP A 890 2.850 0.991 3.624 1.00 0.00 N ATOM 570 CA ASP A 890 2.867 1.262 2.181 1.00 0.00 C ATOM 571 C ASP A 890 1.457 1.360 1.589 1.00 0.00 C ATOM 572 O ASP A 890 0.574 0.537 1.902 1.00 0.00 O ATOM 573 CB ASP A 890 3.708 0.207 1.479 1.00 0.00 C ATOM 574 CG ASP A 890 4.022 0.547 0.052 1.00 0.00 C ATOM 575 OD1 ASP A 890 4.616 1.621 -0.194 1.00 0.00 O ATOM 576 OD2 ASP A 890 3.792 -0.278 -0.819 1.00 0.00 O ATOM 0 H ASP A 890 3.445 0.208 3.894 1.00 0.00 H new ATOM 0 HA ASP A 890 3.322 2.239 2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 890 4.641 0.073 2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 890 3.181 -0.747 1.510 1.00 0.00 H new ATOM 581 N TRP A 891 1.249 2.377 0.774 1.00 0.00 N ATOM 582 CA TRP A 891 -0.063 2.708 0.260 1.00 0.00 C ATOM 583 C TRP A 891 -0.256 2.242 -1.168 1.00 0.00 C ATOM 584 O TRP A 891 0.585 2.475 -2.040 1.00 0.00 O ATOM 585 CB TRP A 891 -0.316 4.226 0.331 1.00 0.00 C ATOM 586 CG TRP A 891 -0.362 4.799 1.721 1.00 0.00 C ATOM 587 CD1 TRP A 891 0.692 5.045 2.539 1.00 0.00 C ATOM 588 CD2 TRP A 891 -1.525 5.228 2.435 1.00 0.00 C ATOM 589 NE1 TRP A 891 0.256 5.578 3.732 1.00 0.00 N ATOM 590 CE2 TRP A 891 -1.097 5.702 3.690 1.00 0.00 C ATOM 591 CE3 TRP A 891 -2.882 5.251 2.138 1.00 0.00 C ATOM 592 CZ2 TRP A 891 -1.982 6.191 4.644 1.00 0.00 C ATOM 593 CZ3 TRP A 891 -3.762 5.735 3.084 1.00 0.00 C ATOM 594 CH2 TRP A 891 -3.309 6.200 4.322 1.00 0.00 C ATOM 0 H TRP A 891 1.990 2.998 0.450 1.00 0.00 H new ATOM 0 HA TRP A 891 -0.780 2.184 0.892 1.00 0.00 H new ATOM 0 HB2 TRP A 891 0.467 4.736 -0.230 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -1.260 4.445 -0.168 1.00 0.00 H new ATOM 0 HD1 TRP A 891 1.725 4.851 2.290 1.00 0.00 H new ATOM 0 HE1 TRP A 891 0.851 5.837 4.519 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -3.242 4.896 1.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -1.634 6.549 5.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -4.819 5.755 2.864 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -4.024 6.575 5.039 1.00 0.00 H new ATOM 605 N TYR A 892 -1.377 1.622 -1.394 1.00 0.00 N ATOM 606 CA TYR A 892 -1.786 1.167 -2.699 1.00 0.00 C ATOM 607 C TYR A 892 -3.064 1.874 -3.101 1.00 0.00 C ATOM 608 O TYR A 892 -3.815 2.340 -2.240 1.00 0.00 O ATOM 609 CB TYR A 892 -2.003 -0.351 -2.705 1.00 0.00 C ATOM 610 CG TYR A 892 -0.752 -1.176 -2.953 1.00 0.00 C ATOM 611 CD1 TYR A 892 0.221 -1.355 -1.981 1.00 0.00 C ATOM 612 CD2 TYR A 892 -0.556 -1.772 -4.182 1.00 0.00 C ATOM 613 CE1 TYR A 892 1.351 -2.108 -2.243 1.00 0.00 C ATOM 614 CE2 TYR A 892 0.556 -2.519 -4.451 1.00 0.00 C ATOM 615 CZ TYR A 892 1.508 -2.687 -3.487 1.00 0.00 C ATOM 616 OH TYR A 892 2.618 -3.438 -3.766 1.00 0.00 O ATOM 0 H TYR A 892 -2.053 1.411 -0.659 1.00 0.00 H new ATOM 0 HA TYR A 892 -0.997 1.400 -3.414 1.00 0.00 H new ATOM 0 HB2 TYR A 892 -2.431 -0.646 -1.747 1.00 0.00 H new ATOM 0 HB3 TYR A 892 -2.739 -0.595 -3.471 1.00 0.00 H new ATOM 0 HD1 TYR A 892 0.095 -0.901 -1.009 1.00 0.00 H new ATOM 0 HD2 TYR A 892 -1.302 -1.645 -4.952 1.00 0.00 H new ATOM 0 HE1 TYR A 892 2.105 -2.242 -1.481 1.00 0.00 H new ATOM 0 HE2 TYR A 892 0.681 -2.975 -5.422 1.00 0.00 H new ATOM 0 HH TYR A 892 2.565 -3.770 -4.686 1.00 0.00 H new ATOM 626 N HIS A 893 -3.312 1.975 -4.381 1.00 0.00 N ATOM 627 CA HIS A 893 -4.543 2.603 -4.872 1.00 0.00 C ATOM 628 C HIS A 893 -5.692 1.632 -4.713 1.00 0.00 C ATOM 629 O HIS A 893 -5.508 0.431 -4.913 1.00 0.00 O ATOM 630 CB HIS A 893 -4.466 2.979 -6.365 1.00 0.00 C ATOM 631 CG HIS A 893 -3.434 3.984 -6.758 1.00 0.00 C ATOM 632 ND1 HIS A 893 -2.440 3.661 -7.648 1.00 0.00 N ATOM 633 CD2 HIS A 893 -3.324 5.290 -6.433 1.00 0.00 C ATOM 634 CE1 HIS A 893 -1.751 4.785 -7.843 1.00 0.00 C ATOM 635 NE2 HIS A 893 -2.249 5.780 -7.133 1.00 0.00 N ATOM 0 H HIS A 893 -2.688 1.636 -5.113 1.00 0.00 H new ATOM 0 HA HIS A 893 -4.686 3.513 -4.290 1.00 0.00 H new ATOM 0 HB2 HIS A 893 -4.286 2.068 -6.935 1.00 0.00 H new ATOM 0 HB3 HIS A 893 -5.441 3.358 -6.670 1.00 0.00 H new ATOM 0 HD1 HIS A 893 -2.265 2.750 -8.072 1.00 0.00 H new ATOM 0 HD2 HIS A 893 -3.958 5.842 -5.755 1.00 0.00 H new ATOM 0 HE1 HIS A 893 -0.896 4.871 -8.497 1.00 0.00 H new ATOM 643 N TRP A 894 -6.869 2.149 -4.379 1.00 0.00 N ATOM 644 CA TRP A 894 -8.091 1.331 -4.273 1.00 0.00 C ATOM 645 C TRP A 894 -8.333 0.426 -5.517 1.00 0.00 C ATOM 646 O TRP A 894 -8.473 -0.795 -5.362 1.00 0.00 O ATOM 647 CB TRP A 894 -9.339 2.192 -3.986 1.00 0.00 C ATOM 648 CG TRP A 894 -9.536 2.602 -2.553 1.00 0.00 C ATOM 649 CD1 TRP A 894 -8.641 2.521 -1.527 1.00 0.00 C ATOM 650 CD2 TRP A 894 -10.743 3.134 -1.989 1.00 0.00 C ATOM 651 NE1 TRP A 894 -9.210 2.994 -0.367 1.00 0.00 N ATOM 652 CE2 TRP A 894 -10.502 3.372 -0.626 1.00 0.00 C ATOM 653 CE3 TRP A 894 -12.001 3.438 -2.515 1.00 0.00 C ATOM 654 CZ2 TRP A 894 -11.479 3.899 0.217 1.00 0.00 C ATOM 655 CZ3 TRP A 894 -12.965 3.956 -1.679 1.00 0.00 C ATOM 656 CH2 TRP A 894 -12.698 4.182 -0.329 1.00 0.00 C ATOM 0 H TRP A 894 -7.012 3.138 -4.174 1.00 0.00 H new ATOM 0 HA TRP A 894 -7.923 0.671 -3.422 1.00 0.00 H new ATOM 0 HB2 TRP A 894 -9.284 3.093 -4.598 1.00 0.00 H new ATOM 0 HB3 TRP A 894 -10.221 1.639 -4.311 1.00 0.00 H new ATOM 0 HD1 TRP A 894 -7.634 2.141 -1.613 1.00 0.00 H new ATOM 0 HE1 TRP A 894 -8.746 3.054 0.539 1.00 0.00 H new ATOM 0 HE3 TRP A 894 -12.214 3.270 -3.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 -11.279 4.077 1.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 -13.942 4.191 -2.075 1.00 0.00 H new ATOM 0 HH2 TRP A 894 -13.475 4.591 0.300 1.00 0.00 H new ATOM 667 N PRO A 895 -8.359 0.979 -6.774 1.00 0.00 N ATOM 668 CA PRO A 895 -8.585 0.166 -7.989 1.00 0.00 C ATOM 669 C PRO A 895 -7.500 -0.901 -8.234 1.00 0.00 C ATOM 670 O PRO A 895 -7.738 -1.871 -8.940 1.00 0.00 O ATOM 671 CB PRO A 895 -8.572 1.198 -9.125 1.00 0.00 C ATOM 672 CG PRO A 895 -7.843 2.364 -8.567 1.00 0.00 C ATOM 673 CD PRO A 895 -8.225 2.412 -7.126 1.00 0.00 C ATOM 0 HA PRO A 895 -9.512 -0.402 -7.906 1.00 0.00 H new ATOM 0 HB2 PRO A 895 -8.072 0.806 -10.011 1.00 0.00 H new ATOM 0 HB3 PRO A 895 -9.584 1.470 -9.424 1.00 0.00 H new ATOM 0 HG2 PRO A 895 -6.766 2.248 -8.685 1.00 0.00 H new ATOM 0 HG3 PRO A 895 -8.122 3.285 -9.079 1.00 0.00 H new ATOM 0 HD2 PRO A 895 -7.465 2.907 -6.522 1.00 0.00 H new ATOM 0 HD3 PRO A 895 -9.158 2.955 -6.973 1.00 0.00 H new ATOM 681 N CYS A 896 -6.341 -0.745 -7.620 1.00 0.00 N ATOM 682 CA CYS A 896 -5.248 -1.674 -7.837 1.00 0.00 C ATOM 683 C CYS A 896 -5.361 -2.897 -6.951 1.00 0.00 C ATOM 684 O CYS A 896 -4.829 -3.967 -7.271 1.00 0.00 O ATOM 685 CB CYS A 896 -3.927 -0.970 -7.600 1.00 0.00 C ATOM 686 SG CYS A 896 -3.661 0.432 -8.709 1.00 0.00 S ATOM 0 H CYS A 896 -6.133 0.013 -6.970 1.00 0.00 H new ATOM 0 HA CYS A 896 -5.299 -2.019 -8.870 1.00 0.00 H new ATOM 0 HB2 CYS A 896 -3.888 -0.622 -6.568 1.00 0.00 H new ATOM 0 HB3 CYS A 896 -3.114 -1.685 -7.726 1.00 0.00 H new ATOM 0 HG CYS A 896 -2.388 0.579 -8.925 1.00 0.00 H new ATOM 691 N VAL A 897 -6.053 -2.749 -5.862 1.00 0.00 N ATOM 692 CA VAL A 897 -6.190 -3.822 -4.911 1.00 0.00 C ATOM 693 C VAL A 897 -7.625 -4.302 -4.801 1.00 0.00 C ATOM 694 O VAL A 897 -7.945 -5.157 -3.973 1.00 0.00 O ATOM 695 CB VAL A 897 -5.618 -3.435 -3.530 1.00 0.00 C ATOM 696 CG1 VAL A 897 -4.105 -3.383 -3.605 1.00 0.00 C ATOM 697 CG2 VAL A 897 -6.138 -2.080 -3.108 1.00 0.00 C ATOM 0 H VAL A 897 -6.537 -1.889 -5.604 1.00 0.00 H new ATOM 0 HA VAL A 897 -5.600 -4.657 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 897 -5.930 -4.182 -2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 897 -3.702 -3.110 -2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 897 -3.721 -4.361 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 897 -3.803 -2.641 -4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 897 -5.727 -1.820 -2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 897 -5.837 -1.331 -3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 897 -7.226 -2.111 -3.046 1.00 0.00 H new ATOM 707 N GLY A 898 -8.471 -3.767 -5.655 1.00 0.00 N ATOM 708 CA GLY A 898 -9.851 -4.183 -5.706 1.00 0.00 C ATOM 709 C GLY A 898 -10.672 -3.632 -4.564 1.00 0.00 C ATOM 710 O GLY A 898 -11.438 -4.366 -3.926 1.00 0.00 O ATOM 0 H GLY A 898 -8.223 -3.040 -6.326 1.00 0.00 H new ATOM 0 HA2 GLY A 898 -10.288 -3.860 -6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 898 -9.898 -5.272 -5.689 1.00 0.00 H new ATOM 714 N ILE A 899 -10.495 -2.366 -4.285 1.00 0.00 N ATOM 715 CA ILE A 899 -11.247 -1.691 -3.247 1.00 0.00 C ATOM 716 C ILE A 899 -12.201 -0.710 -3.914 1.00 0.00 C ATOM 717 O ILE A 899 -11.770 0.276 -4.523 1.00 0.00 O ATOM 718 CB ILE A 899 -10.316 -0.892 -2.296 1.00 0.00 C ATOM 719 CG1 ILE A 899 -9.233 -1.784 -1.669 1.00 0.00 C ATOM 720 CG2 ILE A 899 -11.139 -0.218 -1.200 1.00 0.00 C ATOM 721 CD1 ILE A 899 -9.675 -2.606 -0.489 1.00 0.00 C ATOM 0 H ILE A 899 -9.825 -1.769 -4.770 1.00 0.00 H new ATOM 0 HA ILE A 899 -11.779 -2.440 -2.661 1.00 0.00 H new ATOM 0 HB ILE A 899 -9.812 -0.132 -2.892 1.00 0.00 H new ATOM 0 HG12 ILE A 899 -8.852 -2.458 -2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 899 -8.401 -1.152 -1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 899 -10.476 0.340 -0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 899 -11.858 0.464 -1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 899 -11.671 -0.977 -0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 899 -8.836 -3.198 -0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 899 -10.026 -1.945 0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 899 -10.484 -3.271 -0.791 1.00 0.00 H new ATOM 733 N MET A 900 -13.465 -1.003 -3.867 1.00 0.00 N ATOM 734 CA MET A 900 -14.458 -0.118 -4.427 1.00 0.00 C ATOM 735 C MET A 900 -15.264 0.530 -3.330 1.00 0.00 C ATOM 736 O MET A 900 -16.133 1.374 -3.586 1.00 0.00 O ATOM 737 CB MET A 900 -15.356 -0.863 -5.409 1.00 0.00 C ATOM 738 CG MET A 900 -14.600 -1.411 -6.603 1.00 0.00 C ATOM 739 SD MET A 900 -13.802 -0.108 -7.577 1.00 0.00 S ATOM 740 CE MET A 900 -12.932 -1.092 -8.795 1.00 0.00 C ATOM 0 H MET A 900 -13.841 -1.852 -3.445 1.00 0.00 H new ATOM 0 HA MET A 900 -13.947 0.670 -4.980 1.00 0.00 H new ATOM 0 HB2 MET A 900 -15.850 -1.685 -4.890 1.00 0.00 H new ATOM 0 HB3 MET A 900 -16.139 -0.191 -5.759 1.00 0.00 H new ATOM 0 HG2 MET A 900 -13.844 -2.116 -6.258 1.00 0.00 H new ATOM 0 HG3 MET A 900 -15.288 -1.967 -7.240 1.00 0.00 H new ATOM 0 HE1 MET A 900 -12.389 -0.434 -9.473 1.00 0.00 H new ATOM 0 HE2 MET A 900 -12.229 -1.755 -8.292 1.00 0.00 H new ATOM 0 HE3 MET A 900 -13.649 -1.686 -9.362 1.00 0.00 H new ATOM 750 N ALA A 901 -14.966 0.154 -2.107 1.00 0.00 N ATOM 751 CA ALA A 901 -15.625 0.680 -0.950 1.00 0.00 C ATOM 752 C ALA A 901 -14.690 0.555 0.198 1.00 0.00 C ATOM 753 O ALA A 901 -13.926 -0.404 0.250 1.00 0.00 O ATOM 754 CB ALA A 901 -16.921 -0.067 -0.672 1.00 0.00 C ATOM 0 H ALA A 901 -14.247 -0.537 -1.893 1.00 0.00 H new ATOM 0 HA ALA A 901 -15.889 1.725 -1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 901 -17.401 0.353 0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 901 -17.588 0.031 -1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 901 -16.704 -1.121 -0.500 1.00 0.00 H new ATOM 760 N ALA A 902 -14.713 1.532 1.080 1.00 0.00 N ATOM 761 CA ALA A 902 -13.864 1.563 2.240 1.00 0.00 C ATOM 762 C ALA A 902 -14.085 0.325 3.102 1.00 0.00 C ATOM 763 O ALA A 902 -15.205 0.062 3.548 1.00 0.00 O ATOM 764 CB ALA A 902 -14.128 2.827 3.050 1.00 0.00 C ATOM 0 H ALA A 902 -15.334 2.337 1.005 1.00 0.00 H new ATOM 0 HA ALA A 902 -12.826 1.568 1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -13.480 2.840 3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -13.924 3.703 2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -15.170 2.843 3.370 1.00 0.00 H new ATOM 770 N PRO A 903 -13.061 -0.502 3.256 1.00 0.00 N ATOM 771 CA PRO A 903 -13.128 -1.664 4.120 1.00 0.00 C ATOM 772 C PRO A 903 -13.216 -1.241 5.585 1.00 0.00 C ATOM 773 O PRO A 903 -12.562 -0.264 5.991 1.00 0.00 O ATOM 774 CB PRO A 903 -11.818 -2.412 3.863 1.00 0.00 C ATOM 775 CG PRO A 903 -10.907 -1.419 3.226 1.00 0.00 C ATOM 776 CD PRO A 903 -11.776 -0.392 2.555 1.00 0.00 C ATOM 0 HA PRO A 903 -14.006 -2.277 3.917 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -11.395 -2.792 4.793 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -11.979 -3.271 3.211 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -10.264 -0.952 3.972 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -10.254 -1.905 2.501 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -11.355 0.609 2.648 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -11.884 -0.595 1.490 1.00 0.00 H new ATOM 845 N GLN A 908 -8.583 -6.450 8.851 1.00 0.00 N ATOM 846 CA GLN A 908 -7.175 -6.262 8.676 1.00 0.00 C ATOM 847 C GLN A 908 -6.893 -6.402 7.215 1.00 0.00 C ATOM 848 O GLN A 908 -7.292 -7.391 6.581 1.00 0.00 O ATOM 849 CB GLN A 908 -6.367 -7.275 9.465 1.00 0.00 C ATOM 850 CG GLN A 908 -6.832 -7.426 10.897 1.00 0.00 C ATOM 851 CD GLN A 908 -6.820 -6.132 11.699 1.00 0.00 C ATOM 852 OE1 GLN A 908 -5.850 -5.287 11.480 1.00 0.00 O flip ATOM 853 NE2 GLN A 908 -7.657 -5.937 12.568 1.00 0.00 N flip ATOM 0 HA GLN A 908 -6.886 -5.278 9.045 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -6.425 -8.243 8.967 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -5.319 -6.977 9.460 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -7.844 -7.831 10.897 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -6.197 -8.156 11.398 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -8.405 -6.615 12.717 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -7.608 -5.097 13.144 1.00 0.00 H new ATOM 862 N TRP A 909 -6.258 -5.438 6.687 1.00 0.00 N ATOM 863 CA TRP A 909 -5.994 -5.389 5.283 1.00 0.00 C ATOM 864 C TRP A 909 -4.516 -5.258 5.071 1.00 0.00 C ATOM 865 O TRP A 909 -3.865 -4.405 5.683 1.00 0.00 O ATOM 866 CB TRP A 909 -6.743 -4.213 4.630 1.00 0.00 C ATOM 867 CG TRP A 909 -6.580 -4.143 3.137 1.00 0.00 C ATOM 868 CD1 TRP A 909 -7.403 -4.694 2.198 1.00 0.00 C ATOM 869 CD2 TRP A 909 -5.525 -3.487 2.411 1.00 0.00 C ATOM 870 NE1 TRP A 909 -6.918 -4.429 0.938 1.00 0.00 N ATOM 871 CE2 TRP A 909 -5.768 -3.685 1.048 1.00 0.00 C ATOM 872 CE3 TRP A 909 -4.402 -2.749 2.793 1.00 0.00 C ATOM 873 CZ2 TRP A 909 -4.931 -3.180 0.069 1.00 0.00 C ATOM 874 CZ3 TRP A 909 -3.571 -2.248 1.817 1.00 0.00 C ATOM 875 CH2 TRP A 909 -3.840 -2.464 0.471 1.00 0.00 C ATOM 0 H TRP A 909 -5.895 -4.642 7.211 1.00 0.00 H new ATOM 0 HA TRP A 909 -6.348 -6.307 4.815 1.00 0.00 H new ATOM 0 HB2 TRP A 909 -7.804 -4.294 4.867 1.00 0.00 H new ATOM 0 HB3 TRP A 909 -6.389 -3.280 5.069 1.00 0.00 H new ATOM 0 HD1 TRP A 909 -8.301 -5.254 2.412 1.00 0.00 H new ATOM 0 HE1 TRP A 909 -7.344 -4.735 0.063 1.00 0.00 H new ATOM 0 HE3 TRP A 909 -4.189 -2.574 3.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 -5.134 -3.347 -0.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 -2.698 -1.679 2.101 1.00 0.00 H new ATOM 0 HH2 TRP A 909 -3.172 -2.057 -0.273 1.00 0.00 H new ATOM 886 N PHE A 910 -3.988 -6.096 4.245 1.00 0.00 N ATOM 887 CA PHE A 910 -2.589 -6.085 3.950 1.00 0.00 C ATOM 888 C PHE A 910 -2.419 -5.845 2.477 1.00 0.00 C ATOM 889 O PHE A 910 -3.239 -6.326 1.678 1.00 0.00 O ATOM 890 CB PHE A 910 -1.967 -7.427 4.358 1.00 0.00 C ATOM 891 CG PHE A 910 -2.254 -7.781 5.792 1.00 0.00 C ATOM 892 CD1 PHE A 910 -1.694 -7.051 6.822 1.00 0.00 C ATOM 893 CD2 PHE A 910 -3.113 -8.822 6.105 1.00 0.00 C ATOM 894 CE1 PHE A 910 -1.985 -7.349 8.136 1.00 0.00 C ATOM 895 CE2 PHE A 910 -3.401 -9.129 7.417 1.00 0.00 C ATOM 896 CZ PHE A 910 -2.838 -8.390 8.434 1.00 0.00 C ATOM 0 H PHE A 910 -4.516 -6.815 3.750 1.00 0.00 H new ATOM 0 HA PHE A 910 -2.086 -5.294 4.506 1.00 0.00 H new ATOM 0 HB2 PHE A 910 -2.350 -8.214 3.709 1.00 0.00 H new ATOM 0 HB3 PHE A 910 -0.888 -7.385 4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 910 -1.021 -6.238 6.595 1.00 0.00 H new ATOM 0 HD2 PHE A 910 -3.562 -9.400 5.311 1.00 0.00 H new ATOM 0 HE1 PHE A 910 -1.545 -6.767 8.932 1.00 0.00 H new ATOM 0 HE2 PHE A 910 -4.067 -9.947 7.648 1.00 0.00 H new ATOM 0 HZ PHE A 910 -3.065 -8.626 9.463 1.00 0.00 H new ATOM 906 N CYS A 911 -1.410 -5.087 2.108 1.00 0.00 N ATOM 907 CA CYS A 911 -1.135 -4.819 0.710 1.00 0.00 C ATOM 908 C CYS A 911 -0.771 -6.131 0.011 1.00 0.00 C ATOM 909 O CYS A 911 -0.411 -7.098 0.688 1.00 0.00 O ATOM 910 CB CYS A 911 0.009 -3.781 0.596 1.00 0.00 C ATOM 911 SG CYS A 911 1.573 -4.243 1.391 1.00 0.00 S ATOM 0 H CYS A 911 -0.762 -4.643 2.759 1.00 0.00 H new ATOM 0 HA CYS A 911 -2.017 -4.402 0.224 1.00 0.00 H new ATOM 0 HB2 CYS A 911 0.201 -3.594 -0.461 1.00 0.00 H new ATOM 0 HB3 CYS A 911 -0.334 -2.841 1.029 1.00 0.00 H new ATOM 0 HG CYS A 911 1.858 -3.381 2.321 1.00 0.00 H new ATOM 916 N PRO A 912 -0.868 -6.211 -1.341 1.00 0.00 N ATOM 917 CA PRO A 912 -0.507 -7.419 -2.097 1.00 0.00 C ATOM 918 C PRO A 912 0.904 -7.941 -1.741 1.00 0.00 C ATOM 919 O PRO A 912 1.184 -9.131 -1.877 1.00 0.00 O ATOM 920 CB PRO A 912 -0.595 -6.989 -3.573 1.00 0.00 C ATOM 921 CG PRO A 912 -0.765 -5.503 -3.549 1.00 0.00 C ATOM 922 CD PRO A 912 -1.378 -5.161 -2.227 1.00 0.00 C ATOM 0 HA PRO A 912 -1.172 -8.251 -1.864 1.00 0.00 H new ATOM 0 HB2 PRO A 912 0.306 -7.272 -4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 912 -1.435 -7.472 -4.073 1.00 0.00 H new ATOM 0 HG2 PRO A 912 0.195 -5.002 -3.672 1.00 0.00 H new ATOM 0 HG3 PRO A 912 -1.404 -5.173 -4.368 1.00 0.00 H new ATOM 0 HD2 PRO A 912 -1.079 -4.169 -1.889 1.00 0.00 H new ATOM 0 HD3 PRO A 912 -2.467 -5.167 -2.274 1.00 0.00 H new ATOM 930 N LYS A 913 1.751 -7.041 -1.235 1.00 0.00 N ATOM 931 CA LYS A 913 3.089 -7.373 -0.774 1.00 0.00 C ATOM 932 C LYS A 913 2.998 -8.233 0.482 1.00 0.00 C ATOM 933 O LYS A 913 3.507 -9.352 0.532 1.00 0.00 O ATOM 934 CB LYS A 913 3.851 -6.092 -0.431 1.00 0.00 C ATOM 935 CG LYS A 913 4.114 -5.175 -1.590 1.00 0.00 C ATOM 936 CD LYS A 913 5.080 -5.784 -2.562 1.00 0.00 C ATOM 937 CE LYS A 913 5.586 -4.747 -3.528 1.00 0.00 C ATOM 938 NZ LYS A 913 6.446 -3.741 -2.855 1.00 0.00 N ATOM 0 H LYS A 913 1.519 -6.053 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 913 3.610 -7.915 -1.563 1.00 0.00 H new ATOM 0 HB2 LYS A 913 3.287 -5.544 0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 913 4.805 -6.365 0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 913 3.176 -4.951 -2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 913 4.512 -4.229 -1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 913 5.918 -6.225 -2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 913 4.593 -6.591 -3.109 1.00 0.00 H new ATOM 0 HE2 LYS A 913 6.151 -5.235 -4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 913 4.741 -4.246 -3.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 7.062 -3.284 -3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 5.848 -3.022 -2.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 7.032 -4.211 -2.135 1.00 0.00 H new ATOM 952 N CYS A 914 2.299 -7.725 1.472 1.00 0.00 N ATOM 953 CA CYS A 914 2.172 -8.403 2.732 1.00 0.00 C ATOM 954 C CYS A 914 1.167 -9.555 2.678 1.00 0.00 C ATOM 955 O CYS A 914 1.245 -10.499 3.457 1.00 0.00 O ATOM 956 CB CYS A 914 1.908 -7.397 3.838 1.00 0.00 C ATOM 957 SG CYS A 914 3.261 -6.189 4.007 1.00 0.00 S ATOM 0 H CYS A 914 1.806 -6.833 1.422 1.00 0.00 H new ATOM 0 HA CYS A 914 3.119 -8.890 2.967 1.00 0.00 H new ATOM 0 HB2 CYS A 914 0.976 -6.870 3.633 1.00 0.00 H new ATOM 0 HB3 CYS A 914 1.774 -7.925 4.782 1.00 0.00 H new ATOM 0 HG CYS A 914 3.083 -5.217 3.163 1.00 0.00 H new ATOM 962 N ALA A 915 0.271 -9.489 1.718 1.00 0.00 N ATOM 963 CA ALA A 915 -0.660 -10.569 1.420 1.00 0.00 C ATOM 964 C ALA A 915 0.132 -11.778 0.968 1.00 0.00 C ATOM 965 O ALA A 915 -0.187 -12.927 1.271 1.00 0.00 O ATOM 966 CB ALA A 915 -1.550 -10.144 0.290 1.00 0.00 C ATOM 0 H ALA A 915 0.163 -8.676 1.112 1.00 0.00 H new ATOM 0 HA ALA A 915 -1.253 -10.805 2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 915 -2.252 -10.945 0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 915 -2.103 -9.250 0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 915 -0.943 -9.927 -0.589 1.00 0.00 H new ATOM 972 N ASN A 916 1.184 -11.483 0.267 1.00 0.00 N ATOM 973 CA ASN A 916 2.091 -12.457 -0.271 1.00 0.00 C ATOM 974 C ASN A 916 3.007 -12.995 0.836 1.00 0.00 C ATOM 975 O ASN A 916 3.611 -14.044 0.696 1.00 0.00 O ATOM 976 CB ASN A 916 2.864 -11.788 -1.403 1.00 0.00 C ATOM 977 CG ASN A 916 3.925 -12.618 -2.074 1.00 0.00 C ATOM 978 OD1 ASN A 916 3.868 -13.853 -2.140 1.00 0.00 O ATOM 979 ND2 ASN A 916 4.867 -11.930 -2.620 1.00 0.00 N ATOM 0 H ASN A 916 1.446 -10.523 0.044 1.00 0.00 H new ATOM 0 HA ASN A 916 1.559 -13.321 -0.670 1.00 0.00 H new ATOM 0 HB2 ASN A 916 2.150 -11.469 -2.162 1.00 0.00 H new ATOM 0 HB3 ASN A 916 3.334 -10.887 -1.009 1.00 0.00 H new ATOM 0 HD21 ASN A 916 5.610 -12.402 -3.135 1.00 0.00 H new ATOM 0 HD22 ASN A 916 4.870 -10.913 -2.537 1.00 0.00 H new ATOM 986 N LYS A 917 3.086 -12.275 1.947 1.00 0.00 N ATOM 987 CA LYS A 917 3.835 -12.754 3.102 1.00 0.00 C ATOM 988 C LYS A 917 2.953 -13.652 3.960 1.00 0.00 C ATOM 989 O LYS A 917 3.446 -14.384 4.824 1.00 0.00 O ATOM 990 CB LYS A 917 4.371 -11.611 3.944 1.00 0.00 C ATOM 991 CG LYS A 917 5.208 -10.618 3.171 1.00 0.00 C ATOM 992 CD LYS A 917 5.876 -9.605 4.085 1.00 0.00 C ATOM 993 CE LYS A 917 4.898 -8.913 5.023 1.00 0.00 C ATOM 994 NZ LYS A 917 5.555 -7.875 5.810 1.00 0.00 N ATOM 0 H LYS A 917 2.645 -11.364 2.073 1.00 0.00 H new ATOM 0 HA LYS A 917 4.687 -13.321 2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 917 3.532 -11.086 4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 917 4.971 -12.022 4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 917 5.970 -11.151 2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 917 4.578 -10.096 2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 917 6.643 -10.107 4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 917 6.381 -8.854 3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 917 4.086 -8.473 4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 917 4.450 -9.649 5.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 4.897 -7.083 5.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 5.840 -8.266 6.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 6.397 -7.535 5.303 1.00 0.00 H new ATOM 1008 N ILE A 918 1.639 -13.576 3.737 1.00 0.00 N ATOM 1009 CA ILE A 918 0.686 -14.454 4.410 1.00 0.00 C ATOM 1010 C ILE A 918 0.906 -15.881 3.906 1.00 0.00 C ATOM 1011 O ILE A 918 0.793 -16.832 4.662 1.00 0.00 O ATOM 1012 CB ILE A 918 -0.783 -14.003 4.143 1.00 0.00 C ATOM 1013 CG1 ILE A 918 -1.001 -12.553 4.624 1.00 0.00 C ATOM 1014 CG2 ILE A 918 -1.798 -14.949 4.792 1.00 0.00 C ATOM 1015 CD1 ILE A 918 -0.787 -12.327 6.113 1.00 0.00 C ATOM 0 H ILE A 918 1.212 -12.911 3.092 1.00 0.00 H new ATOM 0 HA ILE A 918 0.849 -14.406 5.487 1.00 0.00 H new ATOM 0 HB ILE A 918 -0.947 -14.042 3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 918 -0.326 -11.899 4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 918 -2.017 -12.251 4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -2.808 -14.598 4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -1.671 -15.953 4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -1.638 -14.970 5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 918 -0.964 -11.278 6.351 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -1.480 -12.949 6.679 1.00 0.00 H new ATOM 0 HD13 ILE A 918 0.237 -12.591 6.378 1.00 0.00 H new