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 -152:sc= 1.6 USER MOD Set 1.2: A 873 CYS SG : rot -74:sc= -0.437 USER MOD Set 1.3: A 880 SER OG : rot -160:sc= -0.294 USER MOD Set 1.4: A 882 MET CE :methyl -144:sc= 0 (180deg=-0.825) USER MOD Set 1.5: A 893 HIS : no HE2:sc= -1.42 X(o=-4.4,f=-4.8) USER MOD Set 1.6: A 896 CYS SG : rot -143:sc= -3.89! USER MOD Set 2.1: A 885 CYS SG : rot -158:sc= -0.512 USER MOD Set 2.2: A 888 CYS SG : rot -91:sc= 0.612 USER MOD Set 2.3: A 892 TYR OH : rot 67:sc= 1.4 USER MOD Set 2.4: A 911 CYS SG : rot -70:sc= -0.533! USER MOD Set 2.5: A 914 CYS SG : rot 74:sc= 1.41 USER MOD Set 2.6: A 917 LYS NZ :NH3+ 156:sc= 1.41 (180deg=0) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -0.245 X(o=-0.24,f=0) USER MOD Single : A 866 GLN :FLIP amide:sc=-0.00276 F(o=-0.99,f=-0.0028) 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 900 MET CE :methyl 163:sc= -0.0613 (180deg=-0.443) USER MOD Single : A 908 GLN :FLIP amide:sc= -0.369 F(o=-2,f=-0.37) USER MOD Single : A 913 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 916 ASN :FLIP amide:sc=-0.00533 F(o=-0.72,f=-0.0053) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 857 9.955 6.461 -4.315 1.00 0.00 N ATOM 93 CA TYR A 857 8.509 6.329 -4.338 1.00 0.00 C ATOM 94 C TYR A 857 7.876 7.536 -3.672 1.00 0.00 C ATOM 95 O TYR A 857 6.678 7.580 -3.411 1.00 0.00 O ATOM 96 CB TYR A 857 8.098 4.991 -3.678 1.00 0.00 C ATOM 97 CG TYR A 857 8.684 3.782 -4.416 1.00 0.00 C ATOM 98 CD1 TYR A 857 10.036 3.479 -4.313 1.00 0.00 C ATOM 99 CD2 TYR A 857 7.902 2.980 -5.238 1.00 0.00 C ATOM 100 CE1 TYR A 857 10.596 2.439 -4.994 1.00 0.00 C ATOM 101 CE2 TYR A 857 8.457 1.914 -5.927 1.00 0.00 C ATOM 102 CZ TYR A 857 9.807 1.650 -5.805 1.00 0.00 C ATOM 103 OH TYR A 857 10.368 0.605 -6.501 1.00 0.00 O ATOM 0 HA TYR A 857 8.144 6.303 -5.365 1.00 0.00 H new ATOM 0 HB2 TYR A 857 8.434 4.980 -2.641 1.00 0.00 H new ATOM 0 HB3 TYR A 857 7.011 4.914 -3.662 1.00 0.00 H new ATOM 0 HD1 TYR A 857 10.662 4.085 -3.675 1.00 0.00 H new ATOM 0 HD2 TYR A 857 6.848 3.190 -5.341 1.00 0.00 H new ATOM 0 HE1 TYR A 857 11.652 2.234 -4.899 1.00 0.00 H new ATOM 0 HE2 TYR A 857 7.837 1.293 -6.556 1.00 0.00 H new ATOM 0 HH TYR A 857 9.675 0.150 -7.023 1.00 0.00 H new ATOM 113 N VAL A 858 8.717 8.529 -3.451 1.00 0.00 N ATOM 114 CA VAL A 858 8.335 9.776 -2.850 1.00 0.00 C ATOM 115 C VAL A 858 8.606 10.899 -3.835 1.00 0.00 C ATOM 116 O VAL A 858 9.770 11.194 -4.173 1.00 0.00 O ATOM 117 CB VAL A 858 9.102 10.052 -1.518 1.00 0.00 C ATOM 118 CG1 VAL A 858 8.719 11.407 -0.917 1.00 0.00 C ATOM 119 CG2 VAL A 858 8.860 8.940 -0.510 1.00 0.00 C ATOM 0 H VAL A 858 9.707 8.481 -3.693 1.00 0.00 H new ATOM 0 HA VAL A 858 7.274 9.721 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 858 10.165 10.079 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 858 9.273 11.564 0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 858 8.962 12.200 -1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 858 7.649 11.423 -0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 858 9.405 9.157 0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 858 7.794 8.872 -0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 858 9.207 7.993 -0.923 1.00 0.00 H new ATOM 129 N ILE A 859 7.553 11.467 -4.326 1.00 0.00 N ATOM 130 CA ILE A 859 7.607 12.587 -5.231 1.00 0.00 C ATOM 131 C ILE A 859 6.923 13.747 -4.508 1.00 0.00 C ATOM 132 O ILE A 859 6.225 13.514 -3.529 1.00 0.00 O ATOM 133 CB ILE A 859 6.851 12.252 -6.569 1.00 0.00 C ATOM 134 CG1 ILE A 859 7.412 10.964 -7.187 1.00 0.00 C ATOM 135 CG2 ILE A 859 6.952 13.399 -7.576 1.00 0.00 C ATOM 136 CD1 ILE A 859 6.691 10.524 -8.448 1.00 0.00 C ATOM 0 H ILE A 859 6.604 11.163 -4.108 1.00 0.00 H new ATOM 0 HA ILE A 859 8.635 12.833 -5.498 1.00 0.00 H new ATOM 0 HB ILE A 859 5.798 12.109 -6.326 1.00 0.00 H new ATOM 0 HG12 ILE A 859 8.467 11.112 -7.416 1.00 0.00 H new ATOM 0 HG13 ILE A 859 7.355 10.164 -6.449 1.00 0.00 H new ATOM 0 HG21 ILE A 859 6.418 13.131 -8.488 1.00 0.00 H new ATOM 0 HG22 ILE A 859 6.510 14.299 -7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 859 8.000 13.586 -7.811 1.00 0.00 H new ATOM 0 HD11 ILE A 859 7.144 9.607 -8.825 1.00 0.00 H new ATOM 0 HD12 ILE A 859 5.640 10.343 -8.222 1.00 0.00 H new ATOM 0 HD13 ILE A 859 6.770 11.306 -9.204 1.00 0.00 H new ATOM 148 N ARG A 860 7.152 14.963 -4.917 1.00 0.00 N ATOM 149 CA ARG A 860 6.477 16.076 -4.309 1.00 0.00 C ATOM 150 C ARG A 860 5.567 16.757 -5.310 1.00 0.00 C ATOM 151 O ARG A 860 5.923 16.937 -6.485 1.00 0.00 O ATOM 152 CB ARG A 860 7.453 17.078 -3.694 1.00 0.00 C ATOM 153 CG ARG A 860 8.355 16.488 -2.625 1.00 0.00 C ATOM 154 CD ARG A 860 9.212 17.557 -1.982 1.00 0.00 C ATOM 155 NE ARG A 860 8.409 18.520 -1.213 1.00 0.00 N ATOM 156 CZ ARG A 860 8.745 19.797 -0.973 1.00 0.00 C ATOM 157 NH1 ARG A 860 9.859 20.322 -1.492 1.00 0.00 N ATOM 158 NH2 ARG A 860 7.965 20.540 -0.219 1.00 0.00 N ATOM 0 H ARG A 860 7.799 15.209 -5.666 1.00 0.00 H new ATOM 0 HA ARG A 860 5.870 15.681 -3.494 1.00 0.00 H new ATOM 0 HB2 ARG A 860 8.073 17.498 -4.486 1.00 0.00 H new ATOM 0 HB3 ARG A 860 6.886 17.903 -3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 860 7.749 15.997 -1.864 1.00 0.00 H new ATOM 0 HG3 ARG A 860 8.994 15.722 -3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 860 9.943 17.088 -1.324 1.00 0.00 H new ATOM 0 HD3 ARG A 860 9.771 18.086 -2.754 1.00 0.00 H new ATOM 0 HE ARG A 860 7.523 18.190 -0.830 1.00 0.00 H new ATOM 0 HH11 ARG A 860 10.467 19.751 -2.079 1.00 0.00 H new ATOM 0 HH12 ARG A 860 10.102 21.294 -1.301 1.00 0.00 H new ATOM 0 HH21 ARG A 860 7.113 20.145 0.178 1.00 0.00 H new ATOM 0 HH22 ARG A 860 8.212 21.512 -0.031 1.00 0.00 H new ATOM 172 N ASP A 861 4.395 17.082 -4.843 1.00 0.00 N ATOM 173 CA ASP A 861 3.356 17.780 -5.603 1.00 0.00 C ATOM 174 C ASP A 861 3.739 19.269 -5.730 1.00 0.00 C ATOM 175 O ASP A 861 4.737 19.712 -5.141 1.00 0.00 O ATOM 176 CB ASP A 861 2.012 17.617 -4.836 1.00 0.00 C ATOM 177 CG ASP A 861 0.802 18.271 -5.476 1.00 0.00 C ATOM 178 OD1 ASP A 861 0.110 17.632 -6.291 1.00 0.00 O ATOM 179 OD2 ASP A 861 0.543 19.437 -5.176 1.00 0.00 O ATOM 0 H ASP A 861 4.110 16.867 -3.887 1.00 0.00 H new ATOM 0 HA ASP A 861 3.255 17.366 -6.606 1.00 0.00 H new ATOM 0 HB2 ASP A 861 1.808 16.552 -4.722 1.00 0.00 H new ATOM 0 HB3 ASP A 861 2.135 18.027 -3.834 1.00 0.00 H new ATOM 184 N GLU A 862 2.943 20.028 -6.443 1.00 0.00 N ATOM 185 CA GLU A 862 3.175 21.453 -6.656 1.00 0.00 C ATOM 186 C GLU A 862 2.908 22.231 -5.365 1.00 0.00 C ATOM 187 O GLU A 862 3.481 23.299 -5.134 1.00 0.00 O ATOM 188 CB GLU A 862 2.321 21.985 -7.818 1.00 0.00 C ATOM 189 CG GLU A 862 0.822 21.812 -7.636 1.00 0.00 C ATOM 190 CD GLU A 862 0.038 22.303 -8.817 1.00 0.00 C ATOM 191 OE1 GLU A 862 -0.157 21.536 -9.768 1.00 0.00 O ATOM 192 OE2 GLU A 862 -0.420 23.467 -8.813 1.00 0.00 O ATOM 0 H GLU A 862 2.102 19.677 -6.902 1.00 0.00 H new ATOM 0 HA GLU A 862 4.220 21.597 -6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 862 2.537 23.045 -7.954 1.00 0.00 H new ATOM 0 HB3 GLU A 862 2.623 21.478 -8.735 1.00 0.00 H new ATOM 0 HG2 GLU A 862 0.599 20.758 -7.469 1.00 0.00 H new ATOM 0 HG3 GLU A 862 0.503 22.351 -6.743 1.00 0.00 H new ATOM 199 N TRP A 863 2.041 21.679 -4.520 1.00 0.00 N ATOM 200 CA TRP A 863 1.780 22.215 -3.206 1.00 0.00 C ATOM 201 C TRP A 863 2.877 21.776 -2.223 1.00 0.00 C ATOM 202 O TRP A 863 2.858 22.135 -1.052 1.00 0.00 O ATOM 203 CB TRP A 863 0.417 21.734 -2.703 1.00 0.00 C ATOM 204 CG TRP A 863 -0.752 22.262 -3.484 1.00 0.00 C ATOM 205 CD1 TRP A 863 -1.480 21.614 -4.435 1.00 0.00 C ATOM 206 CD2 TRP A 863 -1.319 23.555 -3.363 1.00 0.00 C ATOM 207 NE1 TRP A 863 -2.476 22.439 -4.907 1.00 0.00 N ATOM 208 CE2 TRP A 863 -2.397 23.637 -4.260 1.00 0.00 C ATOM 209 CE3 TRP A 863 -1.010 24.641 -2.578 1.00 0.00 C ATOM 210 CZ2 TRP A 863 -3.176 24.786 -4.381 1.00 0.00 C ATOM 211 CZ3 TRP A 863 -1.775 25.787 -2.688 1.00 0.00 C ATOM 212 CH2 TRP A 863 -2.849 25.851 -3.584 1.00 0.00 C ATOM 0 H TRP A 863 1.501 20.842 -4.738 1.00 0.00 H new ATOM 0 HA TRP A 863 1.776 23.303 -3.270 1.00 0.00 H new ATOM 0 HB2 TRP A 863 0.396 20.645 -2.732 1.00 0.00 H new ATOM 0 HB3 TRP A 863 0.304 22.027 -1.659 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -1.302 20.603 -4.769 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -3.160 22.195 -5.623 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -0.182 24.599 -1.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -4.003 24.835 -5.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -1.541 26.645 -2.075 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -3.431 26.758 -3.648 1.00 0.00 H new ATOM 223 N GLY A 864 3.803 20.954 -2.707 1.00 0.00 N ATOM 224 CA GLY A 864 4.910 20.486 -1.902 1.00 0.00 C ATOM 225 C GLY A 864 4.588 19.237 -1.126 1.00 0.00 C ATOM 226 O GLY A 864 5.462 18.677 -0.446 1.00 0.00 O ATOM 0 H GLY A 864 3.802 20.599 -3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 864 5.766 20.294 -2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 864 5.205 21.273 -1.207 1.00 0.00 H new ATOM 230 N ASN A 865 3.352 18.790 -1.238 1.00 0.00 N ATOM 231 CA ASN A 865 2.898 17.599 -0.534 1.00 0.00 C ATOM 232 C ASN A 865 3.504 16.361 -1.125 1.00 0.00 C ATOM 233 O ASN A 865 3.875 16.350 -2.295 1.00 0.00 O ATOM 234 CB ASN A 865 1.361 17.471 -0.490 1.00 0.00 C ATOM 235 CG ASN A 865 0.696 18.407 0.509 1.00 0.00 C ATOM 236 OD1 ASN A 865 0.547 18.065 1.675 1.00 0.00 O ATOM 237 ND2 ASN A 865 0.250 19.554 0.061 1.00 0.00 N ATOM 0 H ASN A 865 2.637 19.235 -1.814 1.00 0.00 H new ATOM 0 HA ASN A 865 3.238 17.709 0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 865 0.960 17.671 -1.484 1.00 0.00 H new ATOM 0 HB3 ASN A 865 1.098 16.443 -0.241 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -0.238 20.192 0.690 1.00 0.00 H new ATOM 0 HD22 ASN A 865 0.391 19.809 -0.917 1.00 0.00 H new ATOM 244 N GLN A 866 3.636 15.337 -0.324 1.00 0.00 N ATOM 245 CA GLN A 866 4.192 14.088 -0.794 1.00 0.00 C ATOM 246 C GLN A 866 3.240 13.364 -1.721 1.00 0.00 C ATOM 247 O GLN A 866 2.017 13.463 -1.596 1.00 0.00 O ATOM 248 CB GLN A 866 4.575 13.164 0.348 1.00 0.00 C ATOM 249 CG GLN A 866 5.703 13.665 1.217 1.00 0.00 C ATOM 250 CD GLN A 866 6.067 12.689 2.325 1.00 0.00 C ATOM 251 OE1 GLN A 866 5.934 11.407 2.070 1.00 0.00 O flip ATOM 252 NE2 GLN A 866 6.490 13.096 3.403 1.00 0.00 N flip ATOM 0 H GLN A 866 3.367 15.340 0.660 1.00 0.00 H new ATOM 0 HA GLN A 866 5.095 14.353 -1.345 1.00 0.00 H new ATOM 0 HB2 GLN A 866 3.698 13.000 0.974 1.00 0.00 H new ATOM 0 HB3 GLN A 866 4.856 12.196 -0.066 1.00 0.00 H new ATOM 0 HG2 GLN A 866 6.580 13.848 0.597 1.00 0.00 H new ATOM 0 HG3 GLN A 866 5.420 14.620 1.658 1.00 0.00 H new ATOM 0 HE21 GLN A 866 6.581 14.098 3.569 1.00 0.00 H new ATOM 0 HE22 GLN A 866 6.750 12.432 4.132 1.00 0.00 H new ATOM 261 N ILE A 867 3.821 12.694 -2.649 1.00 0.00 N ATOM 262 CA ILE A 867 3.162 11.864 -3.606 1.00 0.00 C ATOM 263 C ILE A 867 3.718 10.472 -3.438 1.00 0.00 C ATOM 264 O ILE A 867 4.952 10.283 -3.445 1.00 0.00 O ATOM 265 CB ILE A 867 3.478 12.362 -5.031 1.00 0.00 C ATOM 266 CG1 ILE A 867 2.871 13.740 -5.303 1.00 0.00 C ATOM 267 CG2 ILE A 867 3.083 11.358 -6.109 1.00 0.00 C ATOM 268 CD1 ILE A 867 1.357 13.767 -5.308 1.00 0.00 C ATOM 0 H ILE A 867 4.833 12.708 -2.773 1.00 0.00 H new ATOM 0 HA ILE A 867 2.082 11.884 -3.457 1.00 0.00 H new ATOM 0 HB ILE A 867 4.562 12.464 -5.081 1.00 0.00 H new ATOM 0 HG12 ILE A 867 3.232 14.438 -4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 867 3.232 14.099 -6.267 1.00 0.00 H new ATOM 0 HG21 ILE A 867 3.329 11.763 -7.091 1.00 0.00 H new ATOM 0 HG22 ILE A 867 3.626 10.426 -5.954 1.00 0.00 H new ATOM 0 HG23 ILE A 867 2.011 11.167 -6.053 1.00 0.00 H new ATOM 0 HD11 ILE A 867 1.012 14.781 -5.508 1.00 0.00 H new ATOM 0 HD12 ILE A 867 0.984 13.097 -6.083 1.00 0.00 H new ATOM 0 HD13 ILE A 867 0.984 13.442 -4.337 1.00 0.00 H new ATOM 280 N TRP A 868 2.855 9.535 -3.266 1.00 0.00 N ATOM 281 CA TRP A 868 3.222 8.163 -3.059 1.00 0.00 C ATOM 282 C TRP A 868 3.079 7.371 -4.313 1.00 0.00 C ATOM 283 O TRP A 868 2.304 7.726 -5.199 1.00 0.00 O ATOM 284 CB TRP A 868 2.369 7.546 -1.962 1.00 0.00 C ATOM 285 CG TRP A 868 2.763 7.993 -0.605 1.00 0.00 C ATOM 286 CD1 TRP A 868 3.633 7.367 0.205 1.00 0.00 C ATOM 287 CD2 TRP A 868 2.330 9.157 0.098 1.00 0.00 C ATOM 288 NE1 TRP A 868 3.779 8.060 1.373 1.00 0.00 N ATOM 289 CE2 TRP A 868 2.987 9.157 1.337 1.00 0.00 C ATOM 290 CE3 TRP A 868 1.453 10.193 -0.193 1.00 0.00 C ATOM 291 CZ2 TRP A 868 2.801 10.147 2.278 1.00 0.00 C ATOM 292 CZ3 TRP A 868 1.267 11.182 0.747 1.00 0.00 C ATOM 293 CH2 TRP A 868 1.940 11.149 1.971 1.00 0.00 C ATOM 0 H TRP A 868 1.848 9.696 -3.264 1.00 0.00 H new ATOM 0 HA TRP A 868 4.269 8.142 -2.756 1.00 0.00 H new ATOM 0 HB2 TRP A 868 1.324 7.802 -2.134 1.00 0.00 H new ATOM 0 HB3 TRP A 868 2.444 6.460 -2.018 1.00 0.00 H new ATOM 0 HD1 TRP A 868 4.145 6.446 -0.034 1.00 0.00 H new ATOM 0 HE1 TRP A 868 4.387 7.794 2.148 1.00 0.00 H new ATOM 0 HE3 TRP A 868 0.928 10.223 -1.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 3.321 10.126 3.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 0.590 11.996 0.535 1.00 0.00 H new ATOM 0 HH2 TRP A 868 1.771 11.939 2.688 1.00 0.00 H new ATOM 304 N ILE A 869 3.842 6.319 -4.406 1.00 0.00 N ATOM 305 CA ILE A 869 3.771 5.427 -5.522 1.00 0.00 C ATOM 306 C ILE A 869 3.364 4.050 -5.050 1.00 0.00 C ATOM 307 O ILE A 869 4.049 3.430 -4.240 1.00 0.00 O ATOM 308 CB ILE A 869 5.103 5.374 -6.339 1.00 0.00 C ATOM 309 CG1 ILE A 869 5.375 6.753 -6.965 1.00 0.00 C ATOM 310 CG2 ILE A 869 5.054 4.282 -7.416 1.00 0.00 C ATOM 311 CD1 ILE A 869 6.577 6.820 -7.878 1.00 0.00 C ATOM 0 H ILE A 869 4.534 6.057 -3.704 1.00 0.00 H new ATOM 0 HA ILE A 869 3.014 5.812 -6.205 1.00 0.00 H new ATOM 0 HB ILE A 869 5.919 5.122 -5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 869 4.493 7.059 -7.529 1.00 0.00 H new ATOM 0 HG13 ILE A 869 5.508 7.479 -6.163 1.00 0.00 H new ATOM 0 HG21 ILE A 869 5.995 4.271 -7.966 1.00 0.00 H new ATOM 0 HG22 ILE A 869 4.899 3.312 -6.944 1.00 0.00 H new ATOM 0 HG23 ILE A 869 4.234 4.486 -8.104 1.00 0.00 H new ATOM 0 HD11 ILE A 869 6.682 7.833 -8.267 1.00 0.00 H new ATOM 0 HD12 ILE A 869 7.474 6.551 -7.319 1.00 0.00 H new ATOM 0 HD13 ILE A 869 6.444 6.125 -8.707 1.00 0.00 H new ATOM 323 N CYS A 870 2.231 3.619 -5.529 1.00 0.00 N ATOM 324 CA CYS A 870 1.677 2.330 -5.234 1.00 0.00 C ATOM 325 C CYS A 870 2.484 1.292 -6.000 1.00 0.00 C ATOM 326 O CYS A 870 2.418 1.259 -7.211 1.00 0.00 O ATOM 327 CB CYS A 870 0.209 2.354 -5.725 1.00 0.00 C ATOM 328 SG CYS A 870 -0.786 0.829 -5.644 1.00 0.00 S ATOM 0 H CYS A 870 1.649 4.175 -6.156 1.00 0.00 H new ATOM 0 HA CYS A 870 1.710 2.089 -4.171 1.00 0.00 H new ATOM 0 HB2 CYS A 870 -0.316 3.118 -5.151 1.00 0.00 H new ATOM 0 HB3 CYS A 870 0.217 2.685 -6.764 1.00 0.00 H new ATOM 0 HG CYS A 870 -1.698 0.857 -6.570 1.00 0.00 H new ATOM 333 N PRO A 871 3.261 0.433 -5.325 1.00 0.00 N ATOM 334 CA PRO A 871 4.087 -0.562 -6.005 1.00 0.00 C ATOM 335 C PRO A 871 3.261 -1.743 -6.546 1.00 0.00 C ATOM 336 O PRO A 871 3.812 -2.748 -7.003 1.00 0.00 O ATOM 337 CB PRO A 871 5.068 -1.014 -4.924 1.00 0.00 C ATOM 338 CG PRO A 871 4.351 -0.797 -3.641 1.00 0.00 C ATOM 339 CD PRO A 871 3.417 0.371 -3.856 1.00 0.00 C ATOM 0 HA PRO A 871 4.581 -0.152 -6.886 1.00 0.00 H new ATOM 0 HB2 PRO A 871 5.341 -2.062 -5.052 1.00 0.00 H new ATOM 0 HB3 PRO A 871 5.992 -0.437 -4.963 1.00 0.00 H new ATOM 0 HG2 PRO A 871 3.795 -1.689 -3.353 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.055 -0.586 -2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 871 2.460 0.215 -3.358 1.00 0.00 H new ATOM 0 HD3 PRO A 871 3.835 1.296 -3.459 1.00 0.00 H new ATOM 347 N GLY A 872 1.943 -1.613 -6.470 1.00 0.00 N ATOM 348 CA GLY A 872 1.061 -2.606 -7.024 1.00 0.00 C ATOM 349 C GLY A 872 0.873 -2.386 -8.510 1.00 0.00 C ATOM 350 O GLY A 872 0.574 -3.321 -9.255 1.00 0.00 O ATOM 0 H GLY A 872 1.470 -0.825 -6.028 1.00 0.00 H new ATOM 0 HA2 GLY A 872 1.469 -3.601 -6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 872 0.095 -2.564 -6.520 1.00 0.00 H new ATOM 354 N CYS A 873 1.023 -1.135 -8.924 1.00 0.00 N ATOM 355 CA CYS A 873 0.936 -0.749 -10.314 1.00 0.00 C ATOM 356 C CYS A 873 2.247 -0.082 -10.740 1.00 0.00 C ATOM 357 O CYS A 873 2.697 -0.202 -11.892 1.00 0.00 O ATOM 358 CB CYS A 873 -0.202 0.252 -10.429 1.00 0.00 C ATOM 359 SG CYS A 873 -0.071 1.605 -9.221 1.00 0.00 S ATOM 0 H CYS A 873 1.210 -0.356 -8.293 1.00 0.00 H new ATOM 0 HA CYS A 873 0.760 -1.616 -10.951 1.00 0.00 H new ATOM 0 HB2 CYS A 873 -0.213 0.669 -11.436 1.00 0.00 H new ATOM 0 HB3 CYS A 873 -1.151 -0.265 -10.288 1.00 0.00 H new ATOM 0 HG CYS A 873 -0.395 1.166 -8.041 1.00 0.00 H new ATOM 364 N ASN A 874 2.835 0.609 -9.764 1.00 0.00 N ATOM 365 CA ASN A 874 4.042 1.407 -9.871 1.00 0.00 C ATOM 366 C ASN A 874 3.717 2.754 -10.466 1.00 0.00 C ATOM 367 O ASN A 874 4.446 3.300 -11.303 1.00 0.00 O ATOM 368 CB ASN A 874 5.226 0.687 -10.552 1.00 0.00 C ATOM 369 CG ASN A 874 5.715 -0.504 -9.743 1.00 0.00 C ATOM 370 OD1 ASN A 874 6.527 -0.358 -8.833 1.00 0.00 O ATOM 371 ND2 ASN A 874 5.263 -1.686 -10.086 1.00 0.00 N ATOM 0 H ASN A 874 2.451 0.623 -8.819 1.00 0.00 H new ATOM 0 HA ASN A 874 4.414 1.570 -8.860 1.00 0.00 H new ATOM 0 HB2 ASN A 874 4.923 0.351 -11.544 1.00 0.00 H new ATOM 0 HB3 ASN A 874 6.046 1.391 -10.691 1.00 0.00 H new ATOM 0 HD21 ASN A 874 5.585 -2.518 -9.592 1.00 0.00 H new ATOM 0 HD22 ASN A 874 4.589 -1.773 -10.846 1.00 0.00 H new ATOM 378 N LYS A 875 2.578 3.277 -10.028 1.00 0.00 N ATOM 379 CA LYS A 875 2.105 4.596 -10.383 1.00 0.00 C ATOM 380 C LYS A 875 1.983 5.470 -9.134 1.00 0.00 C ATOM 381 O LYS A 875 1.635 4.972 -8.052 1.00 0.00 O ATOM 382 CB LYS A 875 0.725 4.526 -11.028 1.00 0.00 C ATOM 383 CG LYS A 875 0.660 3.851 -12.383 1.00 0.00 C ATOM 384 CD LYS A 875 -0.791 3.728 -12.857 1.00 0.00 C ATOM 385 CE LYS A 875 -1.533 5.079 -12.860 1.00 0.00 C ATOM 386 NZ LYS A 875 -0.918 6.082 -13.766 1.00 0.00 N ATOM 0 H LYS A 875 1.947 2.778 -9.401 1.00 0.00 H new ATOM 0 HA LYS A 875 2.825 5.020 -11.083 1.00 0.00 H new ATOM 0 HB2 LYS A 875 0.054 3.999 -10.349 1.00 0.00 H new ATOM 0 HB3 LYS A 875 0.342 5.541 -11.131 1.00 0.00 H new ATOM 0 HG2 LYS A 875 1.238 4.424 -13.108 1.00 0.00 H new ATOM 0 HG3 LYS A 875 1.114 2.862 -12.324 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -0.806 3.308 -13.863 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -1.322 3.028 -12.211 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -2.569 4.917 -13.158 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -1.552 5.478 -11.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -1.462 6.968 -13.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 0.062 6.263 -13.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -0.923 5.719 -14.741 1.00 0.00 H new ATOM 400 N PRO A 876 2.294 6.765 -9.264 1.00 0.00 N ATOM 401 CA PRO A 876 2.110 7.754 -8.190 1.00 0.00 C ATOM 402 C PRO A 876 0.635 8.147 -7.979 1.00 0.00 C ATOM 403 O PRO A 876 -0.256 7.677 -8.712 1.00 0.00 O ATOM 404 CB PRO A 876 2.902 8.967 -8.679 1.00 0.00 C ATOM 405 CG PRO A 876 2.937 8.839 -10.158 1.00 0.00 C ATOM 406 CD PRO A 876 2.913 7.369 -10.460 1.00 0.00 C ATOM 0 HA PRO A 876 2.441 7.358 -7.230 1.00 0.00 H new ATOM 0 HB2 PRO A 876 2.423 9.898 -8.376 1.00 0.00 H new ATOM 0 HB3 PRO A 876 3.908 8.975 -8.261 1.00 0.00 H new ATOM 0 HG2 PRO A 876 2.083 9.342 -10.611 1.00 0.00 H new ATOM 0 HG3 PRO A 876 3.834 9.304 -10.566 1.00 0.00 H new ATOM 0 HD2 PRO A 876 2.334 7.156 -11.359 1.00 0.00 H new ATOM 0 HD3 PRO A 876 3.917 6.980 -10.628 1.00 0.00 H new ATOM 414 N ASP A 877 0.389 8.952 -6.928 1.00 0.00 N ATOM 415 CA ASP A 877 -0.938 9.537 -6.623 1.00 0.00 C ATOM 416 C ASP A 877 -1.621 10.067 -7.867 1.00 0.00 C ATOM 417 O ASP A 877 -0.993 10.676 -8.742 1.00 0.00 O ATOM 418 CB ASP A 877 -0.846 10.692 -5.610 1.00 0.00 C ATOM 419 CG ASP A 877 -0.854 10.302 -4.157 1.00 0.00 C ATOM 420 OD1 ASP A 877 0.216 10.053 -3.585 1.00 0.00 O ATOM 421 OD2 ASP A 877 -1.959 10.304 -3.550 1.00 0.00 O ATOM 0 H ASP A 877 1.110 9.219 -6.258 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.521 8.721 -6.196 1.00 0.00 H new ATOM 0 HB2 ASP A 877 0.068 11.251 -5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -1.680 11.371 -5.787 1.00 0.00 H new ATOM 426 N ASP A 878 -2.892 9.825 -7.946 1.00 0.00 N ATOM 427 CA ASP A 878 -3.700 10.247 -9.087 1.00 0.00 C ATOM 428 C ASP A 878 -4.770 11.218 -8.615 1.00 0.00 C ATOM 429 O ASP A 878 -5.242 12.083 -9.354 1.00 0.00 O ATOM 430 CB ASP A 878 -4.366 9.005 -9.718 1.00 0.00 C ATOM 431 CG ASP A 878 -5.235 9.311 -10.922 1.00 0.00 C ATOM 432 OD1 ASP A 878 -4.716 9.313 -12.058 1.00 0.00 O ATOM 433 OD2 ASP A 878 -6.454 9.521 -10.765 1.00 0.00 O ATOM 0 H ASP A 878 -3.417 9.328 -7.226 1.00 0.00 H new ATOM 0 HA ASP A 878 -3.069 10.739 -9.827 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -3.589 8.301 -10.014 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -4.974 8.509 -8.962 1.00 0.00 H new ATOM 438 N GLY A 879 -5.071 11.120 -7.344 1.00 0.00 N ATOM 439 CA GLY A 879 -6.174 11.835 -6.759 1.00 0.00 C ATOM 440 C GLY A 879 -7.176 10.833 -6.272 1.00 0.00 C ATOM 441 O GLY A 879 -8.115 11.148 -5.554 1.00 0.00 O ATOM 0 H GLY A 879 -4.554 10.539 -6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -5.828 12.458 -5.934 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -6.628 12.500 -7.493 1.00 0.00 H new ATOM 445 N SER A 880 -6.931 9.609 -6.677 1.00 0.00 N ATOM 446 CA SER A 880 -7.701 8.449 -6.338 1.00 0.00 C ATOM 447 C SER A 880 -7.619 8.148 -4.833 1.00 0.00 C ATOM 448 O SER A 880 -6.624 8.530 -4.179 1.00 0.00 O ATOM 449 CB SER A 880 -7.088 7.306 -7.124 1.00 0.00 C ATOM 450 OG SER A 880 -5.667 7.339 -6.972 1.00 0.00 O ATOM 0 H SER A 880 -6.143 9.390 -7.286 1.00 0.00 H new ATOM 0 HA SER A 880 -8.754 8.597 -6.576 1.00 0.00 H new ATOM 0 HB2 SER A 880 -7.481 6.353 -6.770 1.00 0.00 H new ATOM 0 HB3 SER A 880 -7.355 7.389 -8.178 1.00 0.00 H new ATOM 0 HG SER A 880 -5.248 6.832 -7.699 1.00 0.00 H new ATOM 456 N PRO A 881 -8.647 7.497 -4.256 1.00 0.00 N ATOM 457 CA PRO A 881 -8.609 7.059 -2.869 1.00 0.00 C ATOM 458 C PRO A 881 -7.550 5.967 -2.698 1.00 0.00 C ATOM 459 O PRO A 881 -7.386 5.080 -3.564 1.00 0.00 O ATOM 460 CB PRO A 881 -10.014 6.491 -2.608 1.00 0.00 C ATOM 461 CG PRO A 881 -10.853 6.974 -3.741 1.00 0.00 C ATOM 462 CD PRO A 881 -9.920 7.141 -4.901 1.00 0.00 C ATOM 0 HA PRO A 881 -8.354 7.863 -2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -9.996 5.402 -2.569 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -10.407 6.838 -1.652 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -11.643 6.260 -3.975 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -11.340 7.917 -3.492 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -9.834 6.224 -5.484 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -10.259 7.922 -5.582 1.00 0.00 H new ATOM 470 N MET A 882 -6.802 6.053 -1.644 1.00 0.00 N ATOM 471 CA MET A 882 -5.739 5.119 -1.397 1.00 0.00 C ATOM 472 C MET A 882 -5.918 4.503 -0.031 1.00 0.00 C ATOM 473 O MET A 882 -6.468 5.135 0.877 1.00 0.00 O ATOM 474 CB MET A 882 -4.372 5.819 -1.544 1.00 0.00 C ATOM 475 CG MET A 882 -4.197 6.456 -2.916 1.00 0.00 C ATOM 476 SD MET A 882 -2.704 7.436 -3.117 1.00 0.00 S ATOM 477 CE MET A 882 -1.424 6.217 -3.343 1.00 0.00 C ATOM 0 H MET A 882 -6.907 6.771 -0.927 1.00 0.00 H new ATOM 0 HA MET A 882 -5.771 4.316 -2.133 1.00 0.00 H new ATOM 0 HB2 MET A 882 -4.273 6.585 -0.774 1.00 0.00 H new ATOM 0 HB3 MET A 882 -3.575 5.095 -1.377 1.00 0.00 H new ATOM 0 HG2 MET A 882 -4.199 5.667 -3.668 1.00 0.00 H new ATOM 0 HG3 MET A 882 -5.060 7.091 -3.117 1.00 0.00 H new ATOM 0 HE1 MET A 882 -0.507 6.558 -2.862 1.00 0.00 H new ATOM 0 HE2 MET A 882 -1.738 5.273 -2.897 1.00 0.00 H new ATOM 0 HE3 MET A 882 -1.243 6.073 -4.408 1.00 0.00 H new ATOM 487 N ILE A 883 -5.479 3.291 0.110 1.00 0.00 N ATOM 488 CA ILE A 883 -5.647 2.536 1.328 1.00 0.00 C ATOM 489 C ILE A 883 -4.262 2.183 1.893 1.00 0.00 C ATOM 490 O ILE A 883 -3.288 2.090 1.130 1.00 0.00 O ATOM 491 CB ILE A 883 -6.529 1.257 1.063 1.00 0.00 C ATOM 492 CG1 ILE A 883 -6.809 0.481 2.362 1.00 0.00 C ATOM 493 CG2 ILE A 883 -5.904 0.362 -0.005 1.00 0.00 C ATOM 494 CD1 ILE A 883 -7.852 -0.606 2.215 1.00 0.00 C ATOM 0 H ILE A 883 -4.985 2.784 -0.625 1.00 0.00 H new ATOM 0 HA ILE A 883 -6.175 3.133 2.071 1.00 0.00 H new ATOM 0 HB ILE A 883 -7.491 1.598 0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 883 -5.879 0.034 2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 883 -7.136 1.183 3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 883 -6.537 -0.511 -0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 883 -5.812 0.918 -0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 883 -4.916 0.039 0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 883 -7.993 -1.107 3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 883 -8.795 -0.164 1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 883 -7.520 -1.331 1.472 1.00 0.00 H new ATOM 506 N GLY A 884 -4.157 2.045 3.203 1.00 0.00 N ATOM 507 CA GLY A 884 -2.882 1.754 3.817 1.00 0.00 C ATOM 508 C GLY A 884 -2.849 0.384 4.456 1.00 0.00 C ATOM 509 O GLY A 884 -3.859 -0.087 4.983 1.00 0.00 O ATOM 0 H GLY A 884 -4.937 2.130 3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 884 -2.096 1.820 3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 884 -2.665 2.509 4.572 1.00 0.00 H new ATOM 513 N CYS A 885 -1.701 -0.267 4.397 1.00 0.00 N ATOM 514 CA CYS A 885 -1.540 -1.583 4.992 1.00 0.00 C ATOM 515 C CYS A 885 -1.400 -1.449 6.501 1.00 0.00 C ATOM 516 O CYS A 885 -0.992 -0.408 7.004 1.00 0.00 O ATOM 517 CB CYS A 885 -0.299 -2.298 4.396 1.00 0.00 C ATOM 518 SG CYS A 885 0.007 -4.001 4.994 1.00 0.00 S ATOM 0 H CYS A 885 -0.863 0.095 3.942 1.00 0.00 H new ATOM 0 HA CYS A 885 -2.421 -2.184 4.768 1.00 0.00 H new ATOM 0 HB2 CYS A 885 -0.407 -2.328 3.312 1.00 0.00 H new ATOM 0 HB3 CYS A 885 0.582 -1.694 4.612 1.00 0.00 H new ATOM 0 HG CYS A 885 1.255 -4.311 4.801 1.00 0.00 H new ATOM 523 N ASP A 886 -1.751 -2.480 7.204 1.00 0.00 N ATOM 524 CA ASP A 886 -1.599 -2.504 8.645 1.00 0.00 C ATOM 525 C ASP A 886 -0.282 -3.134 9.045 1.00 0.00 C ATOM 526 O ASP A 886 0.114 -3.089 10.217 1.00 0.00 O ATOM 527 CB ASP A 886 -2.742 -3.247 9.327 1.00 0.00 C ATOM 528 CG ASP A 886 -4.026 -2.453 9.436 1.00 0.00 C ATOM 529 OD1 ASP A 886 -4.127 -1.602 10.333 1.00 0.00 O ATOM 530 OD2 ASP A 886 -4.984 -2.702 8.666 1.00 0.00 O ATOM 0 H ASP A 886 -2.150 -3.331 6.808 1.00 0.00 H new ATOM 0 HA ASP A 886 -1.617 -1.466 8.976 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -2.943 -4.165 8.775 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -2.424 -3.539 10.328 1.00 0.00 H new ATOM 535 N ASP A 887 0.404 -3.730 8.089 1.00 0.00 N ATOM 536 CA ASP A 887 1.683 -4.378 8.382 1.00 0.00 C ATOM 537 C ASP A 887 2.811 -3.353 8.283 1.00 0.00 C ATOM 538 O ASP A 887 3.467 -3.026 9.279 1.00 0.00 O ATOM 539 CB ASP A 887 1.939 -5.559 7.422 1.00 0.00 C ATOM 540 CG ASP A 887 3.185 -6.371 7.756 1.00 0.00 C ATOM 541 OD1 ASP A 887 4.318 -5.919 7.467 1.00 0.00 O ATOM 542 OD2 ASP A 887 3.053 -7.499 8.299 1.00 0.00 O ATOM 0 H ASP A 887 0.109 -3.783 7.114 1.00 0.00 H new ATOM 0 HA ASP A 887 1.648 -4.777 9.396 1.00 0.00 H new ATOM 0 HB2 ASP A 887 1.072 -6.220 7.437 1.00 0.00 H new ATOM 0 HB3 ASP A 887 2.030 -5.175 6.406 1.00 0.00 H new ATOM 547 N CYS A 888 3.014 -2.832 7.097 1.00 0.00 N ATOM 548 CA CYS A 888 4.048 -1.858 6.846 1.00 0.00 C ATOM 549 C CYS A 888 3.498 -0.432 6.945 1.00 0.00 C ATOM 550 O CYS A 888 4.069 0.429 7.628 1.00 0.00 O ATOM 551 CB CYS A 888 4.632 -2.155 5.464 1.00 0.00 C ATOM 552 SG CYS A 888 3.382 -2.658 4.234 1.00 0.00 S ATOM 0 H CYS A 888 2.463 -3.074 6.274 1.00 0.00 H new ATOM 0 HA CYS A 888 4.833 -1.928 7.599 1.00 0.00 H new ATOM 0 HB2 CYS A 888 5.151 -1.268 5.100 1.00 0.00 H new ATOM 0 HB3 CYS A 888 5.377 -2.945 5.556 1.00 0.00 H new ATOM 0 HG CYS A 888 3.258 -3.952 4.246 1.00 0.00 H new ATOM 557 N ASP A 889 2.392 -0.229 6.258 1.00 0.00 N ATOM 558 CA ASP A 889 1.643 1.049 6.191 1.00 0.00 C ATOM 559 C ASP A 889 2.239 2.044 5.232 1.00 0.00 C ATOM 560 O ASP A 889 3.065 2.882 5.600 1.00 0.00 O ATOM 561 CB ASP A 889 1.334 1.694 7.571 1.00 0.00 C ATOM 562 CG ASP A 889 0.738 3.104 7.472 1.00 0.00 C ATOM 563 OD1 ASP A 889 -0.265 3.312 6.752 1.00 0.00 O ATOM 564 OD2 ASP A 889 1.248 4.026 8.156 1.00 0.00 O ATOM 0 H ASP A 889 1.958 -0.967 5.703 1.00 0.00 H new ATOM 0 HA ASP A 889 0.676 0.754 5.784 1.00 0.00 H new ATOM 0 HB2 ASP A 889 0.640 1.053 8.115 1.00 0.00 H new ATOM 0 HB3 ASP A 889 2.253 1.738 8.156 1.00 0.00 H new ATOM 569 N ASP A 890 1.953 1.835 3.982 1.00 0.00 N ATOM 570 CA ASP A 890 2.233 2.804 2.950 1.00 0.00 C ATOM 571 C ASP A 890 0.932 2.974 2.152 1.00 0.00 C ATOM 572 O ASP A 890 -0.043 2.263 2.449 1.00 0.00 O ATOM 573 CB ASP A 890 3.413 2.389 2.080 1.00 0.00 C ATOM 574 CG ASP A 890 3.976 3.560 1.300 1.00 0.00 C ATOM 575 OD1 ASP A 890 4.831 4.303 1.849 1.00 0.00 O ATOM 576 OD2 ASP A 890 3.565 3.770 0.152 1.00 0.00 O ATOM 0 H ASP A 890 1.514 0.980 3.640 1.00 0.00 H new ATOM 0 HA ASP A 890 2.538 3.758 3.380 1.00 0.00 H new ATOM 0 HB2 ASP A 890 4.195 1.961 2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 890 3.097 1.609 1.387 1.00 0.00 H new ATOM 581 N TRP A 891 0.890 3.843 1.165 1.00 0.00 N ATOM 582 CA TRP A 891 -0.359 4.102 0.450 1.00 0.00 C ATOM 583 C TRP A 891 -0.447 3.355 -0.876 1.00 0.00 C ATOM 584 O TRP A 891 0.412 3.492 -1.745 1.00 0.00 O ATOM 585 CB TRP A 891 -0.581 5.597 0.216 1.00 0.00 C ATOM 586 CG TRP A 891 -0.825 6.399 1.456 1.00 0.00 C ATOM 587 CD1 TRP A 891 0.054 7.217 2.090 1.00 0.00 C ATOM 588 CD2 TRP A 891 -2.044 6.461 2.210 1.00 0.00 C ATOM 589 NE1 TRP A 891 -0.546 7.798 3.181 1.00 0.00 N ATOM 590 CE2 TRP A 891 -1.829 7.345 3.279 1.00 0.00 C ATOM 591 CE3 TRP A 891 -3.293 5.858 2.080 1.00 0.00 C ATOM 592 CZ2 TRP A 891 -2.818 7.641 4.210 1.00 0.00 C ATOM 593 CZ3 TRP A 891 -4.273 6.150 3.005 1.00 0.00 C ATOM 594 CH2 TRP A 891 -4.032 7.034 4.056 1.00 0.00 C ATOM 0 H TRP A 891 1.692 4.381 0.836 1.00 0.00 H new ATOM 0 HA TRP A 891 -1.150 3.725 1.098 1.00 0.00 H new ATOM 0 HB2 TRP A 891 0.291 6.003 -0.296 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -1.432 5.723 -0.454 1.00 0.00 H new ATOM 0 HD1 TRP A 891 1.075 7.386 1.782 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -0.103 8.462 3.816 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -3.490 5.173 1.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -2.633 8.325 5.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -5.244 5.686 2.914 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -4.821 7.243 4.763 1.00 0.00 H new ATOM 605 N TYR A 892 -1.496 2.570 -1.018 1.00 0.00 N ATOM 606 CA TYR A 892 -1.770 1.828 -2.234 1.00 0.00 C ATOM 607 C TYR A 892 -3.069 2.325 -2.813 1.00 0.00 C ATOM 608 O TYR A 892 -3.949 2.723 -2.066 1.00 0.00 O ATOM 609 CB TYR A 892 -1.891 0.339 -1.921 1.00 0.00 C ATOM 610 CG TYR A 892 -0.641 -0.258 -1.343 1.00 0.00 C ATOM 611 CD1 TYR A 892 -0.370 -0.172 0.017 1.00 0.00 C ATOM 612 CD2 TYR A 892 0.267 -0.904 -2.150 1.00 0.00 C ATOM 613 CE1 TYR A 892 0.773 -0.710 0.544 1.00 0.00 C ATOM 614 CE2 TYR A 892 1.411 -1.452 -1.629 1.00 0.00 C ATOM 615 CZ TYR A 892 1.660 -1.348 -0.285 1.00 0.00 C ATOM 616 OH TYR A 892 2.784 -1.909 0.234 1.00 0.00 O ATOM 0 H TYR A 892 -2.190 2.427 -0.285 1.00 0.00 H new ATOM 0 HA TYR A 892 -0.957 1.973 -2.946 1.00 0.00 H new ATOM 0 HB2 TYR A 892 -2.712 0.189 -1.220 1.00 0.00 H new ATOM 0 HB3 TYR A 892 -2.150 -0.196 -2.835 1.00 0.00 H new ATOM 0 HD1 TYR A 892 -1.072 0.327 0.668 1.00 0.00 H new ATOM 0 HD2 TYR A 892 0.076 -0.981 -3.210 1.00 0.00 H new ATOM 0 HE1 TYR A 892 0.974 -0.633 1.602 1.00 0.00 H new ATOM 0 HE2 TYR A 892 2.111 -1.962 -2.274 1.00 0.00 H new ATOM 0 HH TYR A 892 2.538 -2.669 0.802 1.00 0.00 H new ATOM 626 N HIS A 893 -3.213 2.299 -4.111 1.00 0.00 N ATOM 627 CA HIS A 893 -4.442 2.813 -4.733 1.00 0.00 C ATOM 628 C HIS A 893 -5.572 1.808 -4.573 1.00 0.00 C ATOM 629 O HIS A 893 -5.342 0.593 -4.632 1.00 0.00 O ATOM 630 CB HIS A 893 -4.268 3.123 -6.230 1.00 0.00 C ATOM 631 CG HIS A 893 -3.233 4.150 -6.587 1.00 0.00 C ATOM 632 ND1 HIS A 893 -2.066 3.791 -7.219 1.00 0.00 N ATOM 633 CD2 HIS A 893 -3.258 5.491 -6.437 1.00 0.00 C ATOM 634 CE1 HIS A 893 -1.411 4.933 -7.438 1.00 0.00 C ATOM 635 NE2 HIS A 893 -2.093 5.972 -6.983 1.00 0.00 N ATOM 0 H HIS A 893 -2.518 1.937 -4.764 1.00 0.00 H new ATOM 0 HA HIS A 893 -4.679 3.745 -4.221 1.00 0.00 H new ATOM 0 HB2 HIS A 893 -4.018 2.195 -6.744 1.00 0.00 H new ATOM 0 HB3 HIS A 893 -5.229 3.456 -6.623 1.00 0.00 H new ATOM 0 HD1 HIS A 893 -1.764 2.849 -7.468 1.00 0.00 H new ATOM 0 HD2 HIS A 893 -4.042 6.073 -5.977 1.00 0.00 H new ATOM 0 HE1 HIS A 893 -0.449 5.001 -7.924 1.00 0.00 H new ATOM 643 N TRP A 894 -6.776 2.314 -4.380 1.00 0.00 N ATOM 644 CA TRP A 894 -7.973 1.485 -4.251 1.00 0.00 C ATOM 645 C TRP A 894 -8.168 0.477 -5.410 1.00 0.00 C ATOM 646 O TRP A 894 -8.206 -0.735 -5.163 1.00 0.00 O ATOM 647 CB TRP A 894 -9.236 2.341 -4.014 1.00 0.00 C ATOM 648 CG TRP A 894 -9.544 2.587 -2.571 1.00 0.00 C ATOM 649 CD1 TRP A 894 -8.700 2.443 -1.508 1.00 0.00 C ATOM 650 CD2 TRP A 894 -10.805 2.993 -2.026 1.00 0.00 C ATOM 651 NE1 TRP A 894 -9.365 2.718 -0.342 1.00 0.00 N ATOM 652 CE2 TRP A 894 -10.651 3.061 -0.631 1.00 0.00 C ATOM 653 CE3 TRP A 894 -12.048 3.303 -2.583 1.00 0.00 C ATOM 654 CZ2 TRP A 894 -11.687 3.415 0.216 1.00 0.00 C ATOM 655 CZ3 TRP A 894 -13.079 3.665 -1.741 1.00 0.00 C ATOM 656 CH2 TRP A 894 -12.894 3.715 -0.354 1.00 0.00 C ATOM 0 H TRP A 894 -6.958 3.315 -4.307 1.00 0.00 H new ATOM 0 HA TRP A 894 -7.811 0.874 -3.363 1.00 0.00 H new ATOM 0 HB2 TRP A 894 -9.112 3.300 -4.517 1.00 0.00 H new ATOM 0 HB3 TRP A 894 -10.090 1.846 -4.478 1.00 0.00 H new ATOM 0 HD1 TRP A 894 -7.661 2.155 -1.576 1.00 0.00 H new ATOM 0 HE1 TRP A 894 -8.961 2.673 0.594 1.00 0.00 H new ATOM 0 HE3 TRP A 894 -12.199 3.260 -3.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 -11.548 3.453 1.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 -14.044 3.914 -2.158 1.00 0.00 H new ATOM 0 HH2 TRP A 894 -13.722 3.996 0.280 1.00 0.00 H new ATOM 667 N PRO A 895 -8.252 0.920 -6.689 1.00 0.00 N ATOM 668 CA PRO A 895 -8.463 -0.003 -7.817 1.00 0.00 C ATOM 669 C PRO A 895 -7.283 -0.968 -8.057 1.00 0.00 C ATOM 670 O PRO A 895 -7.421 -1.947 -8.795 1.00 0.00 O ATOM 671 CB PRO A 895 -8.654 0.927 -9.016 1.00 0.00 C ATOM 672 CG PRO A 895 -7.970 2.188 -8.624 1.00 0.00 C ATOM 673 CD PRO A 895 -8.197 2.329 -7.156 1.00 0.00 C ATOM 0 HA PRO A 895 -9.310 -0.662 -7.629 1.00 0.00 H new ATOM 0 HB2 PRO A 895 -8.217 0.503 -9.920 1.00 0.00 H new ATOM 0 HB3 PRO A 895 -9.711 1.097 -9.222 1.00 0.00 H new ATOM 0 HG2 PRO A 895 -6.905 2.144 -8.853 1.00 0.00 H new ATOM 0 HG3 PRO A 895 -8.378 3.040 -9.167 1.00 0.00 H new ATOM 0 HD2 PRO A 895 -7.391 2.883 -6.674 1.00 0.00 H new ATOM 0 HD3 PRO A 895 -9.123 2.862 -6.940 1.00 0.00 H new ATOM 681 N CYS A 896 -6.158 -0.720 -7.406 1.00 0.00 N ATOM 682 CA CYS A 896 -4.979 -1.537 -7.583 1.00 0.00 C ATOM 683 C CYS A 896 -5.010 -2.760 -6.711 1.00 0.00 C ATOM 684 O CYS A 896 -4.570 -3.836 -7.106 1.00 0.00 O ATOM 685 CB CYS A 896 -3.755 -0.719 -7.253 1.00 0.00 C ATOM 686 SG CYS A 896 -3.547 0.715 -8.313 1.00 0.00 S ATOM 0 H CYS A 896 -6.041 0.049 -6.746 1.00 0.00 H new ATOM 0 HA CYS A 896 -4.951 -1.868 -8.621 1.00 0.00 H new ATOM 0 HB2 CYS A 896 -3.817 -0.389 -6.216 1.00 0.00 H new ATOM 0 HB3 CYS A 896 -2.872 -1.352 -7.334 1.00 0.00 H new ATOM 0 HG CYS A 896 -2.283 0.892 -8.560 1.00 0.00 H new ATOM 691 N VAL A 897 -5.522 -2.599 -5.537 1.00 0.00 N ATOM 692 CA VAL A 897 -5.532 -3.671 -4.592 1.00 0.00 C ATOM 693 C VAL A 897 -6.905 -4.313 -4.521 1.00 0.00 C ATOM 694 O VAL A 897 -7.085 -5.365 -3.902 1.00 0.00 O ATOM 695 CB VAL A 897 -5.027 -3.202 -3.208 1.00 0.00 C ATOM 696 CG1 VAL A 897 -3.578 -2.769 -3.311 1.00 0.00 C ATOM 697 CG2 VAL A 897 -5.836 -2.045 -2.720 1.00 0.00 C ATOM 0 H VAL A 897 -5.942 -1.731 -5.205 1.00 0.00 H new ATOM 0 HA VAL A 897 -4.837 -4.438 -4.934 1.00 0.00 H new ATOM 0 HB VAL A 897 -5.123 -4.033 -2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 897 -3.226 -2.439 -2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 897 -2.971 -3.608 -3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 897 -3.493 -1.948 -4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 897 -5.466 -1.728 -1.745 1.00 0.00 H new ATOM 0 HG22 VAL A 897 -5.752 -1.219 -3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 897 -6.881 -2.343 -2.633 1.00 0.00 H new ATOM 707 N GLY A 898 -7.865 -3.682 -5.179 1.00 0.00 N ATOM 708 CA GLY A 898 -9.191 -4.230 -5.263 1.00 0.00 C ATOM 709 C GLY A 898 -10.116 -3.666 -4.221 1.00 0.00 C ATOM 710 O GLY A 898 -10.686 -4.415 -3.413 1.00 0.00 O ATOM 0 H GLY A 898 -7.741 -2.791 -5.659 1.00 0.00 H new ATOM 0 HA2 GLY A 898 -9.601 -4.031 -6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 898 -9.140 -5.313 -5.151 1.00 0.00 H new ATOM 714 N ILE A 899 -10.244 -2.355 -4.207 1.00 0.00 N ATOM 715 CA ILE A 899 -11.103 -1.666 -3.266 1.00 0.00 C ATOM 716 C ILE A 899 -11.981 -0.685 -4.044 1.00 0.00 C ATOM 717 O ILE A 899 -11.467 0.124 -4.820 1.00 0.00 O ATOM 718 CB ILE A 899 -10.274 -0.814 -2.274 1.00 0.00 C ATOM 719 CG1 ILE A 899 -9.082 -1.579 -1.696 1.00 0.00 C ATOM 720 CG2 ILE A 899 -11.160 -0.327 -1.160 1.00 0.00 C ATOM 721 CD1 ILE A 899 -9.401 -2.639 -0.673 1.00 0.00 C ATOM 0 H ILE A 899 -9.753 -1.735 -4.851 1.00 0.00 H new ATOM 0 HA ILE A 899 -11.682 -2.414 -2.725 1.00 0.00 H new ATOM 0 HB ILE A 899 -9.872 0.033 -2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 899 -8.545 -2.049 -2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 899 -8.401 -0.859 -1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 899 -10.573 0.272 -0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 899 -11.964 0.281 -1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 899 -11.586 -1.181 -0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 899 -8.477 -3.111 -0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 899 -9.905 -2.183 0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 899 -10.051 -3.391 -1.119 1.00 0.00 H new ATOM 733 N MET A 900 -13.280 -0.770 -3.879 1.00 0.00 N ATOM 734 CA MET A 900 -14.189 0.190 -4.508 1.00 0.00 C ATOM 735 C MET A 900 -15.118 0.803 -3.467 1.00 0.00 C ATOM 736 O MET A 900 -16.046 1.546 -3.785 1.00 0.00 O ATOM 737 CB MET A 900 -14.964 -0.458 -5.664 1.00 0.00 C ATOM 738 CG MET A 900 -14.052 -0.945 -6.788 1.00 0.00 C ATOM 739 SD MET A 900 -14.924 -1.662 -8.197 1.00 0.00 S ATOM 740 CE MET A 900 -15.843 -0.240 -8.788 1.00 0.00 C ATOM 0 H MET A 900 -13.741 -1.487 -3.319 1.00 0.00 H new ATOM 0 HA MET A 900 -13.598 0.999 -4.939 1.00 0.00 H new ATOM 0 HB2 MET A 900 -15.542 -1.299 -5.281 1.00 0.00 H new ATOM 0 HB3 MET A 900 -15.676 0.262 -6.067 1.00 0.00 H new ATOM 0 HG2 MET A 900 -13.448 -0.108 -7.138 1.00 0.00 H new ATOM 0 HG3 MET A 900 -13.364 -1.688 -6.385 1.00 0.00 H new ATOM 0 HE1 MET A 900 -16.186 -0.426 -9.806 1.00 0.00 H new ATOM 0 HE2 MET A 900 -16.703 -0.068 -8.141 1.00 0.00 H new ATOM 0 HE3 MET A 900 -15.199 0.639 -8.777 1.00 0.00 H new ATOM 750 N ALA A 901 -14.817 0.491 -2.230 1.00 0.00 N ATOM 751 CA ALA A 901 -15.497 0.953 -1.028 1.00 0.00 C ATOM 752 C ALA A 901 -14.655 0.418 0.096 1.00 0.00 C ATOM 753 O ALA A 901 -14.110 -0.645 -0.090 1.00 0.00 O ATOM 754 CB ALA A 901 -16.902 0.378 -0.941 1.00 0.00 C ATOM 0 H ALA A 901 -14.040 -0.133 -2.014 1.00 0.00 H new ATOM 0 HA ALA A 901 -15.604 2.038 -1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 901 -17.387 0.739 -0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 901 -17.478 0.693 -1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 901 -16.849 -0.710 -0.915 1.00 0.00 H new ATOM 760 N ALA A 902 -14.535 1.146 1.219 1.00 0.00 N ATOM 761 CA ALA A 902 -13.653 0.805 2.350 1.00 0.00 C ATOM 762 C ALA A 902 -14.079 -0.478 3.072 1.00 0.00 C ATOM 763 O ALA A 902 -15.062 -0.497 3.817 1.00 0.00 O ATOM 764 CB ALA A 902 -13.570 1.969 3.332 1.00 0.00 C ATOM 0 H ALA A 902 -15.060 2.007 1.370 1.00 0.00 H new ATOM 0 HA ALA A 902 -12.664 0.616 1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -12.915 1.700 4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -13.170 2.846 2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -14.566 2.194 3.715 1.00 0.00 H new ATOM 770 N PRO A 903 -13.370 -1.562 2.810 1.00 0.00 N ATOM 771 CA PRO A 903 -13.641 -2.865 3.381 1.00 0.00 C ATOM 772 C PRO A 903 -12.669 -3.336 4.483 1.00 0.00 C ATOM 773 O PRO A 903 -11.434 -3.245 4.361 1.00 0.00 O ATOM 774 CB PRO A 903 -13.437 -3.748 2.179 1.00 0.00 C ATOM 775 CG PRO A 903 -12.267 -3.112 1.467 1.00 0.00 C ATOM 776 CD PRO A 903 -12.309 -1.630 1.833 1.00 0.00 C ATOM 0 HA PRO A 903 -14.615 -2.873 3.870 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -13.220 -4.776 2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -14.324 -3.776 1.547 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -11.326 -3.565 1.780 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -12.344 -3.250 0.389 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -11.359 -1.290 2.246 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -12.521 -1.006 0.964 1.00 0.00 H new ATOM 845 N GLN A 908 -7.563 -6.475 10.417 1.00 0.00 N ATOM 846 CA GLN A 908 -6.670 -5.565 9.691 1.00 0.00 C ATOM 847 C GLN A 908 -6.515 -5.919 8.203 1.00 0.00 C ATOM 848 O GLN A 908 -6.700 -7.074 7.790 1.00 0.00 O ATOM 849 CB GLN A 908 -5.305 -5.598 10.361 1.00 0.00 C ATOM 850 CG GLN A 908 -5.295 -5.000 11.754 1.00 0.00 C ATOM 851 CD GLN A 908 -3.994 -5.214 12.504 1.00 0.00 C ATOM 852 OE1 GLN A 908 -2.901 -5.332 11.800 1.00 0.00 O flip ATOM 853 NE2 GLN A 908 -3.986 -5.287 13.728 1.00 0.00 N flip ATOM 0 HA GLN A 908 -7.114 -4.570 9.728 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -4.962 -6.631 10.416 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -4.591 -5.058 9.738 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -5.489 -3.930 11.681 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -6.112 -5.434 12.331 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -4.857 -5.191 14.250 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -3.109 -5.444 14.224 1.00 0.00 H new ATOM 862 N TRP A 909 -6.125 -4.940 7.432 1.00 0.00 N ATOM 863 CA TRP A 909 -5.990 -5.078 5.988 1.00 0.00 C ATOM 864 C TRP A 909 -4.527 -5.074 5.617 1.00 0.00 C ATOM 865 O TRP A 909 -3.741 -4.276 6.150 1.00 0.00 O ATOM 866 CB TRP A 909 -6.744 -3.947 5.243 1.00 0.00 C ATOM 867 CG TRP A 909 -6.622 -3.998 3.724 1.00 0.00 C ATOM 868 CD1 TRP A 909 -7.439 -4.656 2.848 1.00 0.00 C ATOM 869 CD2 TRP A 909 -5.620 -3.353 2.916 1.00 0.00 C ATOM 870 NE1 TRP A 909 -6.997 -4.456 1.550 1.00 0.00 N ATOM 871 CE2 TRP A 909 -5.887 -3.665 1.577 1.00 0.00 C ATOM 872 CE3 TRP A 909 -4.529 -2.549 3.205 1.00 0.00 C ATOM 873 CZ2 TRP A 909 -5.097 -3.193 0.533 1.00 0.00 C ATOM 874 CZ3 TRP A 909 -3.744 -2.081 2.172 1.00 0.00 C ATOM 875 CH2 TRP A 909 -4.029 -2.402 0.852 1.00 0.00 C ATOM 0 H TRP A 909 -5.887 -4.012 7.782 1.00 0.00 H new ATOM 0 HA TRP A 909 -6.437 -6.025 5.685 1.00 0.00 H new ATOM 0 HB2 TRP A 909 -7.799 -3.993 5.512 1.00 0.00 H new ATOM 0 HB3 TRP A 909 -6.368 -2.986 5.593 1.00 0.00 H new ATOM 0 HD1 TRP A 909 -8.301 -5.244 3.126 1.00 0.00 H new ATOM 0 HE1 TRP A 909 -7.432 -4.839 0.710 1.00 0.00 H new ATOM 0 HE3 TRP A 909 -4.296 -2.292 4.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 -5.320 -3.443 -0.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 -2.893 -1.454 2.394 1.00 0.00 H new ATOM 0 HH2 TRP A 909 -3.396 -2.020 0.064 1.00 0.00 H new ATOM 886 N PHE A 910 -4.157 -5.948 4.719 1.00 0.00 N ATOM 887 CA PHE A 910 -2.790 -6.064 4.303 1.00 0.00 C ATOM 888 C PHE A 910 -2.704 -5.946 2.795 1.00 0.00 C ATOM 889 O PHE A 910 -3.564 -6.476 2.063 1.00 0.00 O ATOM 890 CB PHE A 910 -2.185 -7.390 4.806 1.00 0.00 C ATOM 891 CG PHE A 910 -2.344 -7.552 6.295 1.00 0.00 C ATOM 892 CD1 PHE A 910 -1.602 -6.781 7.172 1.00 0.00 C ATOM 893 CD2 PHE A 910 -3.268 -8.441 6.811 1.00 0.00 C ATOM 894 CE1 PHE A 910 -1.782 -6.890 8.535 1.00 0.00 C ATOM 895 CE2 PHE A 910 -3.447 -8.561 8.177 1.00 0.00 C ATOM 896 CZ PHE A 910 -2.704 -7.780 9.036 1.00 0.00 C ATOM 0 H PHE A 910 -4.795 -6.597 4.258 1.00 0.00 H new ATOM 0 HA PHE A 910 -2.207 -5.254 4.741 1.00 0.00 H new ATOM 0 HB2 PHE A 910 -2.667 -8.225 4.297 1.00 0.00 H new ATOM 0 HB3 PHE A 910 -1.127 -7.427 4.548 1.00 0.00 H new ATOM 0 HD1 PHE A 910 -0.873 -6.085 6.784 1.00 0.00 H new ATOM 0 HD2 PHE A 910 -3.857 -9.049 6.140 1.00 0.00 H new ATOM 0 HE1 PHE A 910 -1.200 -6.278 9.208 1.00 0.00 H new ATOM 0 HE2 PHE A 910 -4.167 -9.264 8.569 1.00 0.00 H new ATOM 0 HZ PHE A 910 -2.846 -7.867 10.103 1.00 0.00 H new ATOM 906 N CYS A 911 -1.705 -5.219 2.344 1.00 0.00 N ATOM 907 CA CYS A 911 -1.477 -4.976 0.936 1.00 0.00 C ATOM 908 C CYS A 911 -1.030 -6.253 0.224 1.00 0.00 C ATOM 909 O CYS A 911 -0.600 -7.196 0.877 1.00 0.00 O ATOM 910 CB CYS A 911 -0.403 -3.884 0.787 1.00 0.00 C ATOM 911 SG CYS A 911 1.227 -4.262 1.518 1.00 0.00 S ATOM 0 H CYS A 911 -1.019 -4.774 2.953 1.00 0.00 H new ATOM 0 HA CYS A 911 -2.409 -4.647 0.476 1.00 0.00 H new ATOM 0 HB2 CYS A 911 -0.265 -3.680 -0.275 1.00 0.00 H new ATOM 0 HB3 CYS A 911 -0.779 -2.967 1.241 1.00 0.00 H new ATOM 0 HG CYS A 911 1.135 -4.247 2.815 1.00 0.00 H new ATOM 916 N PRO A 912 -1.102 -6.295 -1.132 1.00 0.00 N ATOM 917 CA PRO A 912 -0.627 -7.430 -1.945 1.00 0.00 C ATOM 918 C PRO A 912 0.820 -7.810 -1.630 1.00 0.00 C ATOM 919 O PRO A 912 1.221 -8.938 -1.831 1.00 0.00 O ATOM 920 CB PRO A 912 -0.728 -6.905 -3.396 1.00 0.00 C ATOM 921 CG PRO A 912 -0.949 -5.439 -3.260 1.00 0.00 C ATOM 922 CD PRO A 912 -1.708 -5.276 -1.985 1.00 0.00 C ATOM 0 HA PRO A 912 -1.212 -8.330 -1.756 1.00 0.00 H new ATOM 0 HB2 PRO A 912 0.182 -7.117 -3.957 1.00 0.00 H new ATOM 0 HB3 PRO A 912 -1.550 -7.380 -3.932 1.00 0.00 H new ATOM 0 HG2 PRO A 912 -0.003 -4.899 -3.227 1.00 0.00 H new ATOM 0 HG3 PRO A 912 -1.511 -5.045 -4.107 1.00 0.00 H new ATOM 0 HD2 PRO A 912 -1.593 -4.275 -1.568 1.00 0.00 H new ATOM 0 HD3 PRO A 912 -2.776 -5.443 -2.123 1.00 0.00 H new ATOM 930 N LYS A 913 1.580 -6.862 -1.097 1.00 0.00 N ATOM 931 CA LYS A 913 2.960 -7.100 -0.746 1.00 0.00 C ATOM 932 C LYS A 913 3.011 -8.059 0.444 1.00 0.00 C ATOM 933 O LYS A 913 3.783 -9.018 0.457 1.00 0.00 O ATOM 934 CB LYS A 913 3.645 -5.783 -0.376 1.00 0.00 C ATOM 935 CG LYS A 913 3.553 -4.683 -1.439 1.00 0.00 C ATOM 936 CD LYS A 913 4.294 -5.011 -2.734 1.00 0.00 C ATOM 937 CE LYS A 913 5.776 -5.233 -2.488 1.00 0.00 C ATOM 938 NZ LYS A 913 6.543 -5.314 -3.744 1.00 0.00 N ATOM 0 H LYS A 913 1.254 -5.916 -0.900 1.00 0.00 H new ATOM 0 HA LYS A 913 3.481 -7.537 -1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 913 3.206 -5.410 0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 913 4.697 -5.983 -0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 913 2.503 -4.500 -1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 913 3.955 -3.758 -1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 913 3.862 -5.904 -3.185 1.00 0.00 H new ATOM 0 HD3 LYS A 913 4.161 -4.197 -3.447 1.00 0.00 H new ATOM 0 HE2 LYS A 913 6.167 -4.419 -1.877 1.00 0.00 H new ATOM 0 HE3 LYS A 913 5.914 -6.153 -1.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 7.549 -5.466 -3.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 6.189 -6.107 -4.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 6.434 -4.427 -4.275 1.00 0.00 H new ATOM 952 N CYS A 914 2.156 -7.812 1.417 1.00 0.00 N ATOM 953 CA CYS A 914 2.094 -8.624 2.604 1.00 0.00 C ATOM 954 C CYS A 914 1.130 -9.806 2.442 1.00 0.00 C ATOM 955 O CYS A 914 1.302 -10.850 3.059 1.00 0.00 O ATOM 956 CB CYS A 914 1.736 -7.753 3.799 1.00 0.00 C ATOM 957 SG CYS A 914 2.921 -6.406 4.081 1.00 0.00 S ATOM 0 H CYS A 914 1.487 -7.042 1.402 1.00 0.00 H new ATOM 0 HA CYS A 914 3.077 -9.062 2.777 1.00 0.00 H new ATOM 0 HB2 CYS A 914 0.743 -7.329 3.648 1.00 0.00 H new ATOM 0 HB3 CYS A 914 1.684 -8.376 4.692 1.00 0.00 H new ATOM 0 HG CYS A 914 2.754 -5.485 3.179 1.00 0.00 H new ATOM 962 N ALA A 915 0.146 -9.644 1.601 1.00 0.00 N ATOM 963 CA ALA A 915 -0.804 -10.705 1.330 1.00 0.00 C ATOM 964 C ALA A 915 -0.147 -11.809 0.513 1.00 0.00 C ATOM 965 O ALA A 915 -0.563 -12.963 0.567 1.00 0.00 O ATOM 966 CB ALA A 915 -2.039 -10.163 0.633 1.00 0.00 C ATOM 0 H ALA A 915 -0.026 -8.782 1.084 1.00 0.00 H new ATOM 0 HA ALA A 915 -1.125 -11.132 2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 915 -2.736 -10.979 0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 915 -2.518 -9.418 1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 915 -1.751 -9.702 -0.312 1.00 0.00 H new ATOM 972 N ASN A 916 0.899 -11.452 -0.227 1.00 0.00 N ATOM 973 CA ASN A 916 1.671 -12.417 -1.015 1.00 0.00 C ATOM 974 C ASN A 916 2.606 -13.208 -0.095 1.00 0.00 C ATOM 975 O ASN A 916 3.169 -14.229 -0.475 1.00 0.00 O ATOM 976 CB ASN A 916 2.489 -11.705 -2.097 1.00 0.00 C ATOM 977 CG ASN A 916 3.162 -12.645 -3.096 1.00 0.00 C ATOM 978 OD1 ASN A 916 2.511 -13.713 -3.456 1.00 0.00 O flip ATOM 979 ND2 ASN A 916 4.260 -12.368 -3.569 1.00 0.00 N flip ATOM 0 H ASN A 916 1.237 -10.492 -0.299 1.00 0.00 H new ATOM 0 HA ASN A 916 0.975 -13.101 -1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 916 1.835 -11.023 -2.641 1.00 0.00 H new ATOM 0 HB3 ASN A 916 3.255 -11.096 -1.616 1.00 0.00 H new ATOM 0 HD21 ASN A 916 4.747 -11.524 -3.268 1.00 0.00 H new ATOM 0 HD22 ASN A 916 4.686 -12.982 -4.264 1.00 0.00 H new ATOM 986 N LYS A 917 2.775 -12.725 1.124 1.00 0.00 N ATOM 987 CA LYS A 917 3.567 -13.438 2.118 1.00 0.00 C ATOM 988 C LYS A 917 2.764 -14.639 2.589 1.00 0.00 C ATOM 989 O LYS A 917 3.310 -15.671 2.967 1.00 0.00 O ATOM 990 CB LYS A 917 3.876 -12.539 3.322 1.00 0.00 C ATOM 991 CG LYS A 917 4.684 -11.288 3.008 1.00 0.00 C ATOM 992 CD LYS A 917 4.714 -10.357 4.216 1.00 0.00 C ATOM 993 CE LYS A 917 5.493 -9.078 3.942 1.00 0.00 C ATOM 994 NZ LYS A 917 5.346 -8.098 5.050 1.00 0.00 N ATOM 0 H LYS A 917 2.377 -11.845 1.451 1.00 0.00 H new ATOM 0 HA LYS A 917 4.511 -13.747 1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 917 2.934 -12.238 3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 917 4.419 -13.126 4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 917 5.701 -11.565 2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 917 4.248 -10.771 2.153 1.00 0.00 H new ATOM 0 HD2 LYS A 917 3.693 -10.104 4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 917 5.162 -10.878 5.062 1.00 0.00 H new ATOM 0 HE2 LYS A 917 6.548 -9.316 3.804 1.00 0.00 H new ATOM 0 HE3 LYS A 917 5.143 -8.631 3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 6.159 -7.450 5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 4.470 -7.554 4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 5.306 -8.604 5.958 1.00 0.00 H new ATOM 1008 N ILE A 918 1.453 -14.489 2.550 1.00 0.00 N ATOM 1009 CA ILE A 918 0.544 -15.531 2.963 1.00 0.00 C ATOM 1010 C ILE A 918 0.099 -16.356 1.759 1.00 0.00 C ATOM 1011 O ILE A 918 0.362 -17.556 1.683 1.00 0.00 O ATOM 1012 CB ILE A 918 -0.700 -14.935 3.666 1.00 0.00 C ATOM 1013 CG1 ILE A 918 -0.264 -14.083 4.871 1.00 0.00 C ATOM 1014 CG2 ILE A 918 -1.661 -16.044 4.096 1.00 0.00 C ATOM 1015 CD1 ILE A 918 -1.407 -13.467 5.653 1.00 0.00 C ATOM 0 H ILE A 918 0.992 -13.637 2.230 1.00 0.00 H new ATOM 0 HA ILE A 918 1.072 -16.174 3.668 1.00 0.00 H new ATOM 0 HB ILE A 918 -1.229 -14.293 2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 918 0.327 -14.704 5.544 1.00 0.00 H new ATOM 0 HG13 ILE A 918 0.389 -13.285 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -2.528 -15.603 4.588 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -1.987 -16.604 3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -1.154 -16.717 4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 918 -1.008 -12.884 6.483 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -1.986 -12.816 4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 918 -2.050 -14.257 6.041 1.00 0.00 H new