USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 870 CYS SG : rot -164:sc= 0.6 USER MOD Set 1.2: A 873 CYS SG : rot -61:sc= 0.44 USER MOD Set 1.3: A 893 HIS : no HD1:sc= -0.902 X(o=-3.5,f=-3.6) USER MOD Set 1.4: A 896 CYS SG : rot -142:sc= -3.61! USER MOD Set 2.1: A 885 CYS SG : rot -165:sc= 1.63 USER MOD Set 2.2: A 888 CYS SG : rot 180:sc= -1.99! USER MOD Set 2.3: A 892 TYR OH : rot 49:sc= 1.39 USER MOD Set 2.4: A 911 CYS SG : rot -74:sc= 1.71 USER MOD Set 2.5: A 914 CYS SG : rot 113:sc= 0.382 USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -0.941 K(o=-0.94,f=-3.2!) USER MOD Single : A 866 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 874 ASN : amide:sc= -0.0104 K(o=-0.01,f=-1.6!) USER MOD Single : A 875 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00085) USER MOD Single : A 880 SER OG : rot 69:sc= 1.25 USER MOD Single : A 882 MET CE :methyl 148:sc= 0 (180deg=-0.408) USER MOD Single : A 900 MET CE :methyl -158:sc= -0.143 (180deg=-0.724) USER MOD Single : A 908 GLN : amide:sc= -0.778 K(o=-0.78,f=-0.058) USER MOD Single : A 913 LYS NZ :NH3+ -116:sc= 0.21 (180deg=-0.0649) USER MOD Single : A 916 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 917 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 857 10.012 6.104 -4.547 1.00 0.00 N ATOM 93 CA TYR A 857 8.637 5.749 -4.224 1.00 0.00 C ATOM 94 C TYR A 857 7.980 6.863 -3.450 1.00 0.00 C ATOM 95 O TYR A 857 6.778 6.849 -3.204 1.00 0.00 O ATOM 96 CB TYR A 857 8.607 4.431 -3.438 1.00 0.00 C ATOM 97 CG TYR A 857 9.392 3.339 -4.130 1.00 0.00 C ATOM 98 CD1 TYR A 857 10.746 3.181 -3.872 1.00 0.00 C ATOM 99 CD2 TYR A 857 8.801 2.509 -5.067 1.00 0.00 C ATOM 100 CE1 TYR A 857 11.488 2.237 -4.521 1.00 0.00 C ATOM 101 CE2 TYR A 857 9.539 1.544 -5.722 1.00 0.00 C ATOM 102 CZ TYR A 857 10.883 1.415 -5.447 1.00 0.00 C ATOM 103 OH TYR A 857 11.624 0.466 -6.098 1.00 0.00 O ATOM 0 HA TYR A 857 8.076 5.606 -5.147 1.00 0.00 H new ATOM 0 HB2 TYR A 857 9.016 4.595 -2.441 1.00 0.00 H new ATOM 0 HB3 TYR A 857 7.574 4.109 -3.310 1.00 0.00 H new ATOM 0 HD1 TYR A 857 11.223 3.818 -3.142 1.00 0.00 H new ATOM 0 HD2 TYR A 857 7.750 2.618 -5.288 1.00 0.00 H new ATOM 0 HE1 TYR A 857 12.542 2.135 -4.310 1.00 0.00 H new ATOM 0 HE2 TYR A 857 9.067 0.895 -6.445 1.00 0.00 H new ATOM 0 HH TYR A 857 11.049 -0.031 -6.717 1.00 0.00 H new ATOM 113 N VAL A 858 8.785 7.821 -3.088 1.00 0.00 N ATOM 114 CA VAL A 858 8.350 8.986 -2.357 1.00 0.00 C ATOM 115 C VAL A 858 8.769 10.228 -3.125 1.00 0.00 C ATOM 116 O VAL A 858 9.930 10.349 -3.547 1.00 0.00 O ATOM 117 CB VAL A 858 8.950 9.034 -0.915 1.00 0.00 C ATOM 118 CG1 VAL A 858 8.466 10.265 -0.158 1.00 0.00 C ATOM 119 CG2 VAL A 858 8.596 7.777 -0.137 1.00 0.00 C ATOM 0 H VAL A 858 9.784 7.818 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 858 7.266 8.940 -2.256 1.00 0.00 H new ATOM 0 HB VAL A 858 10.034 9.092 -1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 858 8.900 10.271 0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 858 8.772 11.164 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 858 7.379 10.241 -0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 858 9.025 7.835 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 858 7.512 7.689 -0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 858 8.996 6.905 -0.653 1.00 0.00 H new ATOM 129 N ILE A 859 7.831 11.109 -3.342 1.00 0.00 N ATOM 130 CA ILE A 859 8.057 12.357 -4.050 1.00 0.00 C ATOM 131 C ILE A 859 7.574 13.477 -3.137 1.00 0.00 C ATOM 132 O ILE A 859 6.625 13.278 -2.394 1.00 0.00 O ATOM 133 CB ILE A 859 7.221 12.404 -5.381 1.00 0.00 C ATOM 134 CG1 ILE A 859 7.498 11.166 -6.254 1.00 0.00 C ATOM 135 CG2 ILE A 859 7.518 13.681 -6.174 1.00 0.00 C ATOM 136 CD1 ILE A 859 6.632 11.085 -7.500 1.00 0.00 C ATOM 0 H ILE A 859 6.868 10.985 -3.029 1.00 0.00 H new ATOM 0 HA ILE A 859 9.113 12.456 -4.303 1.00 0.00 H new ATOM 0 HB ILE A 859 6.167 12.404 -5.104 1.00 0.00 H new ATOM 0 HG12 ILE A 859 8.546 11.171 -6.552 1.00 0.00 H new ATOM 0 HG13 ILE A 859 7.341 10.269 -5.655 1.00 0.00 H new ATOM 0 HG21 ILE A 859 6.926 13.687 -7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 859 7.262 14.552 -5.571 1.00 0.00 H new ATOM 0 HG23 ILE A 859 8.578 13.714 -6.427 1.00 0.00 H new ATOM 0 HD11 ILE A 859 6.886 10.186 -8.062 1.00 0.00 H new ATOM 0 HD12 ILE A 859 5.582 11.047 -7.211 1.00 0.00 H new ATOM 0 HD13 ILE A 859 6.806 11.963 -8.122 1.00 0.00 H new ATOM 148 N ARG A 860 8.225 14.615 -3.138 1.00 0.00 N ATOM 149 CA ARG A 860 7.720 15.722 -2.347 1.00 0.00 C ATOM 150 C ARG A 860 6.817 16.558 -3.218 1.00 0.00 C ATOM 151 O ARG A 860 7.251 17.092 -4.240 1.00 0.00 O ATOM 152 CB ARG A 860 8.834 16.601 -1.761 1.00 0.00 C ATOM 153 CG ARG A 860 9.836 15.842 -0.918 1.00 0.00 C ATOM 154 CD ARG A 860 10.894 16.762 -0.339 1.00 0.00 C ATOM 155 NE ARG A 860 11.898 16.009 0.413 1.00 0.00 N ATOM 156 CZ ARG A 860 12.763 16.522 1.284 1.00 0.00 C ATOM 157 NH1 ARG A 860 12.814 17.830 1.491 1.00 0.00 N ATOM 158 NH2 ARG A 860 13.589 15.718 1.934 1.00 0.00 N ATOM 0 H ARG A 860 9.081 14.802 -3.660 1.00 0.00 H new ATOM 0 HA ARG A 860 7.177 15.305 -1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 860 9.361 17.095 -2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 860 8.383 17.385 -1.153 1.00 0.00 H new ATOM 0 HG2 ARG A 860 9.316 15.330 -0.108 1.00 0.00 H new ATOM 0 HG3 ARG A 860 10.315 15.074 -1.525 1.00 0.00 H new ATOM 0 HD2 ARG A 860 11.378 17.315 -1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 860 10.423 17.497 0.314 1.00 0.00 H new ATOM 0 HE ARG A 860 11.938 15.002 0.256 1.00 0.00 H new ATOM 0 HH11 ARG A 860 12.187 18.452 0.981 1.00 0.00 H new ATOM 0 HH12 ARG A 860 13.480 18.215 2.161 1.00 0.00 H new ATOM 0 HH21 ARG A 860 13.560 14.712 1.766 1.00 0.00 H new ATOM 0 HH22 ARG A 860 14.255 16.104 2.603 1.00 0.00 H new ATOM 172 N ASP A 861 5.566 16.624 -2.848 1.00 0.00 N ATOM 173 CA ASP A 861 4.571 17.423 -3.569 1.00 0.00 C ATOM 174 C ASP A 861 4.849 18.915 -3.323 1.00 0.00 C ATOM 175 O ASP A 861 5.714 19.257 -2.520 1.00 0.00 O ATOM 176 CB ASP A 861 3.171 17.059 -3.055 1.00 0.00 C ATOM 177 CG ASP A 861 2.040 17.667 -3.843 1.00 0.00 C ATOM 178 OD1 ASP A 861 1.592 17.060 -4.831 1.00 0.00 O ATOM 179 OD2 ASP A 861 1.582 18.756 -3.479 1.00 0.00 O ATOM 0 H ASP A 861 5.192 16.129 -2.038 1.00 0.00 H new ATOM 0 HA ASP A 861 4.628 17.219 -4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 861 3.064 15.974 -3.067 1.00 0.00 H new ATOM 0 HB3 ASP A 861 3.085 17.376 -2.016 1.00 0.00 H new ATOM 184 N GLU A 862 4.105 19.786 -3.954 1.00 0.00 N ATOM 185 CA GLU A 862 4.270 21.229 -3.787 1.00 0.00 C ATOM 186 C GLU A 862 3.726 21.647 -2.431 1.00 0.00 C ATOM 187 O GLU A 862 4.109 22.677 -1.875 1.00 0.00 O ATOM 188 CB GLU A 862 3.564 21.980 -4.900 1.00 0.00 C ATOM 189 CG GLU A 862 4.075 21.613 -6.274 1.00 0.00 C ATOM 190 CD GLU A 862 3.338 22.319 -7.369 1.00 0.00 C ATOM 191 OE1 GLU A 862 2.223 21.895 -7.711 1.00 0.00 O ATOM 192 OE2 GLU A 862 3.857 23.311 -7.921 1.00 0.00 O ATOM 0 H GLU A 862 3.362 19.526 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 862 5.331 21.475 -3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 862 2.495 21.774 -4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 862 3.690 23.052 -4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 862 5.136 21.855 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 862 3.985 20.536 -6.416 1.00 0.00 H new ATOM 199 N TRP A 863 2.836 20.827 -1.905 1.00 0.00 N ATOM 200 CA TRP A 863 2.310 20.999 -0.556 1.00 0.00 C ATOM 201 C TRP A 863 3.271 20.306 0.444 1.00 0.00 C ATOM 202 O TRP A 863 3.074 20.318 1.652 1.00 0.00 O ATOM 203 CB TRP A 863 0.894 20.399 -0.484 1.00 0.00 C ATOM 204 CG TRP A 863 0.161 20.709 0.785 1.00 0.00 C ATOM 205 CD1 TRP A 863 -0.140 19.843 1.790 1.00 0.00 C ATOM 206 CD2 TRP A 863 -0.345 21.987 1.190 1.00 0.00 C ATOM 207 NE1 TRP A 863 -0.808 20.498 2.787 1.00 0.00 N ATOM 208 CE2 TRP A 863 -0.949 21.814 2.445 1.00 0.00 C ATOM 209 CE3 TRP A 863 -0.349 23.259 0.610 1.00 0.00 C ATOM 210 CZ2 TRP A 863 -1.549 22.863 3.133 1.00 0.00 C ATOM 211 CZ3 TRP A 863 -0.941 24.299 1.294 1.00 0.00 C ATOM 212 CH2 TRP A 863 -1.535 24.095 2.544 1.00 0.00 C ATOM 0 H TRP A 863 2.454 20.020 -2.399 1.00 0.00 H new ATOM 0 HA TRP A 863 2.243 22.056 -0.298 1.00 0.00 H new ATOM 0 HB2 TRP A 863 0.311 20.769 -1.327 1.00 0.00 H new ATOM 0 HB3 TRP A 863 0.964 19.317 -0.595 1.00 0.00 H new ATOM 0 HD1 TRP A 863 0.112 18.793 1.799 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -1.147 20.072 3.649 1.00 0.00 H new ATOM 0 HE3 TRP A 863 0.104 23.424 -0.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -2.009 22.709 4.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -0.946 25.287 0.858 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -1.992 24.930 3.054 1.00 0.00 H new ATOM 223 N GLY A 864 4.328 19.714 -0.110 1.00 0.00 N ATOM 224 CA GLY A 864 5.357 19.026 0.662 1.00 0.00 C ATOM 225 C GLY A 864 4.911 17.684 1.162 1.00 0.00 C ATOM 226 O GLY A 864 5.521 17.115 2.058 1.00 0.00 O ATOM 0 H GLY A 864 4.494 19.699 -1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 864 6.246 18.901 0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 864 5.644 19.647 1.510 1.00 0.00 H new ATOM 230 N ASN A 865 3.843 17.179 0.579 1.00 0.00 N ATOM 231 CA ASN A 865 3.332 15.867 0.929 1.00 0.00 C ATOM 232 C ASN A 865 4.305 14.825 0.472 1.00 0.00 C ATOM 233 O ASN A 865 4.825 14.917 -0.655 1.00 0.00 O ATOM 234 CB ASN A 865 1.959 15.593 0.284 1.00 0.00 C ATOM 235 CG ASN A 865 0.847 16.473 0.817 1.00 0.00 C ATOM 236 OD1 ASN A 865 0.864 16.891 1.974 1.00 0.00 O ATOM 237 ND2 ASN A 865 -0.129 16.755 -0.014 1.00 0.00 N ATOM 0 H ASN A 865 3.308 17.660 -0.144 1.00 0.00 H new ATOM 0 HA ASN A 865 3.207 15.833 2.011 1.00 0.00 H new ATOM 0 HB2 ASN A 865 2.039 15.737 -0.793 1.00 0.00 H new ATOM 0 HB3 ASN A 865 1.693 14.549 0.447 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -0.907 17.339 0.293 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -0.109 16.391 -0.966 1.00 0.00 H new ATOM 244 N GLN A 866 4.596 13.875 1.333 1.00 0.00 N ATOM 245 CA GLN A 866 5.481 12.783 0.993 1.00 0.00 C ATOM 246 C GLN A 866 4.706 11.730 0.238 1.00 0.00 C ATOM 247 O GLN A 866 4.231 10.760 0.804 1.00 0.00 O ATOM 248 CB GLN A 866 6.164 12.220 2.237 1.00 0.00 C ATOM 249 CG GLN A 866 7.012 13.256 2.938 1.00 0.00 C ATOM 250 CD GLN A 866 7.619 12.778 4.247 1.00 0.00 C ATOM 251 OE1 GLN A 866 7.020 12.918 5.320 1.00 0.00 O ATOM 252 NE2 GLN A 866 8.809 12.239 4.184 1.00 0.00 N ATOM 0 H GLN A 866 4.228 13.837 2.284 1.00 0.00 H new ATOM 0 HA GLN A 866 6.278 13.149 0.346 1.00 0.00 H new ATOM 0 HB2 GLN A 866 5.408 11.844 2.926 1.00 0.00 H new ATOM 0 HB3 GLN A 866 6.788 11.372 1.955 1.00 0.00 H new ATOM 0 HG2 GLN A 866 7.815 13.566 2.269 1.00 0.00 H new ATOM 0 HG3 GLN A 866 6.402 14.138 3.133 1.00 0.00 H new ATOM 0 HE21 GLN A 866 9.276 12.138 3.283 1.00 0.00 H new ATOM 0 HE22 GLN A 866 9.270 11.920 5.036 1.00 0.00 H new ATOM 261 N ILE A 867 4.561 12.008 -1.029 1.00 0.00 N ATOM 262 CA ILE A 867 3.769 11.246 -1.994 1.00 0.00 C ATOM 263 C ILE A 867 4.139 9.775 -2.008 1.00 0.00 C ATOM 264 O ILE A 867 5.324 9.425 -2.013 1.00 0.00 O ATOM 265 CB ILE A 867 3.940 11.860 -3.418 1.00 0.00 C ATOM 266 CG1 ILE A 867 3.433 13.307 -3.448 1.00 0.00 C ATOM 267 CG2 ILE A 867 3.263 11.035 -4.501 1.00 0.00 C ATOM 268 CD1 ILE A 867 1.975 13.456 -3.066 1.00 0.00 C ATOM 0 H ILE A 867 5.014 12.817 -1.454 1.00 0.00 H new ATOM 0 HA ILE A 867 2.725 11.310 -1.688 1.00 0.00 H new ATOM 0 HB ILE A 867 5.008 11.851 -3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 867 4.039 13.908 -2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 867 3.579 13.712 -4.449 1.00 0.00 H new ATOM 0 HG21 ILE A 867 3.416 11.511 -5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 867 3.692 10.033 -4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 867 2.195 10.969 -4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 867 1.693 14.508 -3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 867 1.357 12.884 -3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 867 1.824 13.083 -2.053 1.00 0.00 H new ATOM 280 N TRP A 868 3.129 8.947 -2.035 1.00 0.00 N ATOM 281 CA TRP A 868 3.269 7.528 -2.003 1.00 0.00 C ATOM 282 C TRP A 868 3.058 6.960 -3.386 1.00 0.00 C ATOM 283 O TRP A 868 2.120 7.339 -4.098 1.00 0.00 O ATOM 284 CB TRP A 868 2.235 6.910 -1.059 1.00 0.00 C ATOM 285 CG TRP A 868 2.385 7.288 0.382 1.00 0.00 C ATOM 286 CD1 TRP A 868 3.034 6.575 1.339 1.00 0.00 C ATOM 287 CD2 TRP A 868 1.869 8.462 1.036 1.00 0.00 C ATOM 288 NE1 TRP A 868 2.954 7.222 2.547 1.00 0.00 N ATOM 289 CE2 TRP A 868 2.247 8.383 2.387 1.00 0.00 C ATOM 290 CE3 TRP A 868 1.129 9.568 0.609 1.00 0.00 C ATOM 291 CZ2 TRP A 868 1.912 9.364 3.314 1.00 0.00 C ATOM 292 CZ3 TRP A 868 0.798 10.543 1.530 1.00 0.00 C ATOM 293 CH2 TRP A 868 1.190 10.435 2.867 1.00 0.00 C ATOM 0 H TRP A 868 2.159 9.258 -2.081 1.00 0.00 H new ATOM 0 HA TRP A 868 4.273 7.292 -1.650 1.00 0.00 H new ATOM 0 HB2 TRP A 868 1.240 7.202 -1.394 1.00 0.00 H new ATOM 0 HB3 TRP A 868 2.293 5.825 -1.142 1.00 0.00 H new ATOM 0 HD1 TRP A 868 3.540 5.635 1.173 1.00 0.00 H new ATOM 0 HE1 TRP A 868 3.357 6.891 3.424 1.00 0.00 H new ATOM 0 HE3 TRP A 868 0.821 9.659 -0.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 2.211 9.283 4.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 0.227 11.403 1.212 1.00 0.00 H new ATOM 0 HH2 TRP A 868 0.916 11.215 3.562 1.00 0.00 H new ATOM 304 N ILE A 869 3.936 6.101 -3.785 1.00 0.00 N ATOM 305 CA ILE A 869 3.785 5.406 -5.025 1.00 0.00 C ATOM 306 C ILE A 869 3.299 3.995 -4.759 1.00 0.00 C ATOM 307 O ILE A 869 3.966 3.233 -4.063 1.00 0.00 O ATOM 308 CB ILE A 869 5.089 5.435 -5.880 1.00 0.00 C ATOM 309 CG1 ILE A 869 5.345 6.877 -6.360 1.00 0.00 C ATOM 310 CG2 ILE A 869 5.015 4.460 -7.055 1.00 0.00 C ATOM 311 CD1 ILE A 869 6.531 7.055 -7.279 1.00 0.00 C ATOM 0 H ILE A 869 4.778 5.859 -3.263 1.00 0.00 H new ATOM 0 HA ILE A 869 3.034 5.921 -5.623 1.00 0.00 H new ATOM 0 HB ILE A 869 5.925 5.110 -5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 869 4.452 7.234 -6.874 1.00 0.00 H new ATOM 0 HG13 ILE A 869 5.486 7.513 -5.486 1.00 0.00 H new ATOM 0 HG21 ILE A 869 5.941 4.509 -7.627 1.00 0.00 H new ATOM 0 HG22 ILE A 869 4.874 3.447 -6.679 1.00 0.00 H new ATOM 0 HG23 ILE A 869 4.177 4.728 -7.698 1.00 0.00 H new ATOM 0 HD11 ILE A 869 6.621 8.105 -7.557 1.00 0.00 H new ATOM 0 HD12 ILE A 869 7.439 6.736 -6.767 1.00 0.00 H new ATOM 0 HD13 ILE A 869 6.389 6.453 -8.177 1.00 0.00 H new ATOM 323 N CYS A 870 2.104 3.706 -5.261 1.00 0.00 N ATOM 324 CA CYS A 870 1.437 2.432 -5.143 1.00 0.00 C ATOM 325 C CYS A 870 2.285 1.327 -5.755 1.00 0.00 C ATOM 326 O CYS A 870 2.454 1.288 -6.961 1.00 0.00 O ATOM 327 CB CYS A 870 0.076 2.530 -5.885 1.00 0.00 C ATOM 328 SG CYS A 870 -0.945 1.018 -6.001 1.00 0.00 S ATOM 0 H CYS A 870 1.556 4.390 -5.783 1.00 0.00 H new ATOM 0 HA CYS A 870 1.280 2.192 -4.091 1.00 0.00 H new ATOM 0 HB2 CYS A 870 -0.519 3.299 -5.392 1.00 0.00 H new ATOM 0 HB3 CYS A 870 0.272 2.880 -6.899 1.00 0.00 H new ATOM 0 HG CYS A 870 -1.852 1.176 -6.918 1.00 0.00 H new ATOM 333 N PRO A 871 2.820 0.418 -4.933 1.00 0.00 N ATOM 334 CA PRO A 871 3.628 -0.735 -5.392 1.00 0.00 C ATOM 335 C PRO A 871 2.829 -1.754 -6.237 1.00 0.00 C ATOM 336 O PRO A 871 3.343 -2.823 -6.598 1.00 0.00 O ATOM 337 CB PRO A 871 4.091 -1.397 -4.083 1.00 0.00 C ATOM 338 CG PRO A 871 3.909 -0.357 -3.034 1.00 0.00 C ATOM 339 CD PRO A 871 2.741 0.475 -3.471 1.00 0.00 C ATOM 0 HA PRO A 871 4.436 -0.405 -6.044 1.00 0.00 H new ATOM 0 HB2 PRO A 871 3.502 -2.287 -3.862 1.00 0.00 H new ATOM 0 HB3 PRO A 871 5.132 -1.713 -4.148 1.00 0.00 H new ATOM 0 HG2 PRO A 871 3.721 -0.813 -2.062 1.00 0.00 H new ATOM 0 HG3 PRO A 871 4.806 0.254 -2.931 1.00 0.00 H new ATOM 0 HD2 PRO A 871 1.798 0.071 -3.102 1.00 0.00 H new ATOM 0 HD3 PRO A 871 2.815 1.498 -3.103 1.00 0.00 H new ATOM 347 N GLY A 872 1.577 -1.447 -6.508 1.00 0.00 N ATOM 348 CA GLY A 872 0.775 -2.293 -7.338 1.00 0.00 C ATOM 349 C GLY A 872 0.961 -1.962 -8.804 1.00 0.00 C ATOM 350 O GLY A 872 1.177 -2.853 -9.629 1.00 0.00 O ATOM 0 H GLY A 872 1.101 -0.615 -6.160 1.00 0.00 H new ATOM 0 HA2 GLY A 872 1.040 -3.336 -7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 872 -0.275 -2.181 -7.068 1.00 0.00 H new ATOM 354 N CYS A 873 0.927 -0.685 -9.119 1.00 0.00 N ATOM 355 CA CYS A 873 1.021 -0.227 -10.491 1.00 0.00 C ATOM 356 C CYS A 873 2.283 0.603 -10.690 1.00 0.00 C ATOM 357 O CYS A 873 2.783 0.762 -11.811 1.00 0.00 O ATOM 358 CB CYS A 873 -0.196 0.643 -10.757 1.00 0.00 C ATOM 359 SG CYS A 873 -0.395 1.969 -9.537 1.00 0.00 S ATOM 0 H CYS A 873 0.834 0.065 -8.434 1.00 0.00 H new ATOM 0 HA CYS A 873 1.061 -1.078 -11.171 1.00 0.00 H new ATOM 0 HB2 CYS A 873 -0.113 1.081 -11.752 1.00 0.00 H new ATOM 0 HB3 CYS A 873 -1.090 0.019 -10.757 1.00 0.00 H new ATOM 0 HG CYS A 873 -0.558 1.451 -8.356 1.00 0.00 H new ATOM 364 N ASN A 874 2.764 1.116 -9.590 1.00 0.00 N ATOM 365 CA ASN A 874 3.868 2.032 -9.503 1.00 0.00 C ATOM 366 C ASN A 874 3.502 3.394 -10.039 1.00 0.00 C ATOM 367 O ASN A 874 4.087 3.905 -10.995 1.00 0.00 O ATOM 368 CB ASN A 874 5.216 1.497 -10.021 1.00 0.00 C ATOM 369 CG ASN A 874 5.769 0.351 -9.176 1.00 0.00 C ATOM 370 OD1 ASN A 874 5.023 -0.450 -8.613 1.00 0.00 O ATOM 371 ND2 ASN A 874 7.073 0.277 -9.053 1.00 0.00 N ATOM 0 H ASN A 874 2.371 0.892 -8.676 1.00 0.00 H new ATOM 0 HA ASN A 874 4.060 2.148 -8.436 1.00 0.00 H new ATOM 0 HB2 ASN A 874 5.094 1.157 -11.049 1.00 0.00 H new ATOM 0 HB3 ASN A 874 5.941 2.311 -10.038 1.00 0.00 H new ATOM 0 HD21 ASN A 874 7.490 -0.457 -8.480 1.00 0.00 H new ATOM 0 HD22 ASN A 874 7.669 0.953 -9.530 1.00 0.00 H new ATOM 378 N LYS A 875 2.451 3.936 -9.460 1.00 0.00 N ATOM 379 CA LYS A 875 1.995 5.279 -9.725 1.00 0.00 C ATOM 380 C LYS A 875 1.828 6.017 -8.409 1.00 0.00 C ATOM 381 O LYS A 875 1.374 5.423 -7.427 1.00 0.00 O ATOM 382 CB LYS A 875 0.653 5.293 -10.463 1.00 0.00 C ATOM 383 CG LYS A 875 0.682 4.767 -11.881 1.00 0.00 C ATOM 384 CD LYS A 875 -0.716 4.749 -12.502 1.00 0.00 C ATOM 385 CE LYS A 875 -1.383 6.142 -12.536 1.00 0.00 C ATOM 386 NZ LYS A 875 -0.610 7.145 -13.318 1.00 0.00 N ATOM 0 H LYS A 875 1.878 3.441 -8.776 1.00 0.00 H new ATOM 0 HA LYS A 875 2.740 5.763 -10.357 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -0.063 4.703 -9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 875 0.280 6.317 -10.482 1.00 0.00 H new ATOM 0 HG2 LYS A 875 1.342 5.388 -12.487 1.00 0.00 H new ATOM 0 HG3 LYS A 875 1.097 3.759 -11.888 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -0.651 4.359 -13.518 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -1.349 4.064 -11.938 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -2.381 6.049 -12.964 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -1.506 6.504 -11.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -1.118 8.053 -13.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 0.328 7.273 -12.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -0.499 6.812 -14.297 1.00 0.00 H new ATOM 400 N PRO A 876 2.212 7.291 -8.365 1.00 0.00 N ATOM 401 CA PRO A 876 2.054 8.143 -7.176 1.00 0.00 C ATOM 402 C PRO A 876 0.599 8.576 -6.949 1.00 0.00 C ATOM 403 O PRO A 876 -0.295 8.246 -7.768 1.00 0.00 O ATOM 404 CB PRO A 876 2.901 9.375 -7.513 1.00 0.00 C ATOM 405 CG PRO A 876 2.944 9.430 -8.996 1.00 0.00 C ATOM 406 CD PRO A 876 2.870 8.015 -9.477 1.00 0.00 C ATOM 0 HA PRO A 876 2.351 7.620 -6.267 1.00 0.00 H new ATOM 0 HB2 PRO A 876 2.459 10.281 -7.099 1.00 0.00 H new ATOM 0 HB3 PRO A 876 3.903 9.289 -7.094 1.00 0.00 H new ATOM 0 HG2 PRO A 876 2.112 10.016 -9.387 1.00 0.00 H new ATOM 0 HG3 PRO A 876 3.861 9.909 -9.340 1.00 0.00 H new ATOM 0 HD2 PRO A 876 2.295 7.937 -10.400 1.00 0.00 H new ATOM 0 HD3 PRO A 876 3.861 7.612 -9.684 1.00 0.00 H new ATOM 414 N ASP A 877 0.358 9.253 -5.810 1.00 0.00 N ATOM 415 CA ASP A 877 -0.935 9.896 -5.495 1.00 0.00 C ATOM 416 C ASP A 877 -1.381 10.722 -6.694 1.00 0.00 C ATOM 417 O ASP A 877 -0.796 11.771 -6.980 1.00 0.00 O ATOM 418 CB ASP A 877 -0.801 10.882 -4.304 1.00 0.00 C ATOM 419 CG ASP A 877 -0.456 10.275 -2.958 1.00 0.00 C ATOM 420 OD1 ASP A 877 0.694 9.876 -2.751 1.00 0.00 O ATOM 421 OD2 ASP A 877 -1.331 10.273 -2.059 1.00 0.00 O ATOM 0 H ASP A 877 1.058 9.371 -5.078 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.645 9.107 -5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -0.035 11.616 -4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -1.741 11.424 -4.203 1.00 0.00 H new ATOM 426 N ASP A 878 -2.366 10.245 -7.416 1.00 0.00 N ATOM 427 CA ASP A 878 -2.834 10.945 -8.611 1.00 0.00 C ATOM 428 C ASP A 878 -4.123 11.690 -8.330 1.00 0.00 C ATOM 429 O ASP A 878 -4.524 12.564 -9.089 1.00 0.00 O ATOM 430 CB ASP A 878 -3.058 9.964 -9.773 1.00 0.00 C ATOM 431 CG ASP A 878 -4.230 9.039 -9.547 1.00 0.00 C ATOM 432 OD1 ASP A 878 -4.086 8.043 -8.828 1.00 0.00 O ATOM 433 OD2 ASP A 878 -5.325 9.299 -10.077 1.00 0.00 O ATOM 0 H ASP A 878 -2.864 9.380 -7.207 1.00 0.00 H new ATOM 0 HA ASP A 878 -2.061 11.660 -8.893 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -3.219 10.528 -10.692 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -2.156 9.370 -9.918 1.00 0.00 H new ATOM 438 N GLY A 879 -4.754 11.359 -7.232 1.00 0.00 N ATOM 439 CA GLY A 879 -6.015 11.965 -6.903 1.00 0.00 C ATOM 440 C GLY A 879 -7.052 10.922 -6.624 1.00 0.00 C ATOM 441 O GLY A 879 -8.064 11.185 -5.961 1.00 0.00 O ATOM 0 H GLY A 879 -4.415 10.676 -6.554 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -5.897 12.609 -6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -6.344 12.600 -7.726 1.00 0.00 H new ATOM 445 N SER A 880 -6.804 9.738 -7.126 1.00 0.00 N ATOM 446 CA SER A 880 -7.659 8.613 -6.899 1.00 0.00 C ATOM 447 C SER A 880 -7.534 8.149 -5.434 1.00 0.00 C ATOM 448 O SER A 880 -6.513 8.436 -4.777 1.00 0.00 O ATOM 449 CB SER A 880 -7.273 7.507 -7.865 1.00 0.00 C ATOM 450 OG SER A 880 -7.384 7.966 -9.211 1.00 0.00 O ATOM 0 H SER A 880 -5.993 9.532 -7.709 1.00 0.00 H new ATOM 0 HA SER A 880 -8.700 8.885 -7.072 1.00 0.00 H new ATOM 0 HB2 SER A 880 -6.252 7.182 -7.667 1.00 0.00 H new ATOM 0 HB3 SER A 880 -7.918 6.641 -7.714 1.00 0.00 H new ATOM 0 HG SER A 880 -6.690 8.636 -9.387 1.00 0.00 H new ATOM 456 N PRO A 881 -8.553 7.449 -4.903 1.00 0.00 N ATOM 457 CA PRO A 881 -8.561 6.999 -3.519 1.00 0.00 C ATOM 458 C PRO A 881 -7.473 5.964 -3.263 1.00 0.00 C ATOM 459 O PRO A 881 -7.225 5.060 -4.092 1.00 0.00 O ATOM 460 CB PRO A 881 -9.961 6.397 -3.315 1.00 0.00 C ATOM 461 CG PRO A 881 -10.753 6.828 -4.504 1.00 0.00 C ATOM 462 CD PRO A 881 -9.765 7.028 -5.610 1.00 0.00 C ATOM 0 HA PRO A 881 -8.357 7.813 -2.824 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -9.915 5.310 -3.246 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -10.413 6.756 -2.390 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -11.493 6.074 -4.774 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -11.298 7.749 -4.297 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -9.603 6.111 -6.176 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -10.101 7.785 -6.319 1.00 0.00 H new ATOM 470 N MET A 882 -6.819 6.102 -2.144 1.00 0.00 N ATOM 471 CA MET A 882 -5.709 5.266 -1.795 1.00 0.00 C ATOM 472 C MET A 882 -5.898 4.686 -0.412 1.00 0.00 C ATOM 473 O MET A 882 -6.518 5.302 0.459 1.00 0.00 O ATOM 474 CB MET A 882 -4.376 6.045 -1.912 1.00 0.00 C ATOM 475 CG MET A 882 -4.098 6.516 -3.338 1.00 0.00 C ATOM 476 SD MET A 882 -2.577 7.463 -3.557 1.00 0.00 S ATOM 477 CE MET A 882 -1.315 6.252 -3.165 1.00 0.00 C ATOM 0 H MET A 882 -7.046 6.806 -1.442 1.00 0.00 H new ATOM 0 HA MET A 882 -5.663 4.435 -2.499 1.00 0.00 H new ATOM 0 HB2 MET A 882 -4.403 6.908 -1.247 1.00 0.00 H new ATOM 0 HB3 MET A 882 -3.557 5.409 -1.576 1.00 0.00 H new ATOM 0 HG2 MET A 882 -4.060 5.643 -3.990 1.00 0.00 H new ATOM 0 HG3 MET A 882 -4.937 7.126 -3.671 1.00 0.00 H new ATOM 0 HE1 MET A 882 -0.422 6.452 -3.758 1.00 0.00 H new ATOM 0 HE2 MET A 882 -1.068 6.314 -2.105 1.00 0.00 H new ATOM 0 HE3 MET A 882 -1.686 5.253 -3.393 1.00 0.00 H new ATOM 487 N ILE A 883 -5.388 3.512 -0.226 1.00 0.00 N ATOM 488 CA ILE A 883 -5.508 2.792 1.006 1.00 0.00 C ATOM 489 C ILE A 883 -4.112 2.322 1.427 1.00 0.00 C ATOM 490 O ILE A 883 -3.257 2.090 0.572 1.00 0.00 O ATOM 491 CB ILE A 883 -6.492 1.582 0.845 1.00 0.00 C ATOM 492 CG1 ILE A 883 -6.674 0.844 2.182 1.00 0.00 C ATOM 493 CG2 ILE A 883 -6.030 0.632 -0.273 1.00 0.00 C ATOM 494 CD1 ILE A 883 -7.739 -0.218 2.158 1.00 0.00 C ATOM 0 H ILE A 883 -4.863 3.012 -0.943 1.00 0.00 H new ATOM 0 HA ILE A 883 -5.921 3.439 1.780 1.00 0.00 H new ATOM 0 HB ILE A 883 -7.466 1.974 0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 883 -5.726 0.386 2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 883 -6.919 1.572 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 883 -6.733 -0.197 -0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 883 -5.990 1.174 -1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 883 -5.040 0.244 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 883 -7.804 -0.690 3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 883 -8.699 0.235 1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 883 -7.487 -0.969 1.409 1.00 0.00 H new ATOM 506 N GLY A 884 -3.867 2.238 2.710 1.00 0.00 N ATOM 507 CA GLY A 884 -2.571 1.820 3.183 1.00 0.00 C ATOM 508 C GLY A 884 -2.627 0.472 3.849 1.00 0.00 C ATOM 509 O GLY A 884 -3.650 0.120 4.462 1.00 0.00 O ATOM 0 H GLY A 884 -4.544 2.452 3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 884 -1.873 1.783 2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 884 -2.186 2.558 3.887 1.00 0.00 H new ATOM 513 N CYS A 885 -1.554 -0.296 3.714 1.00 0.00 N ATOM 514 CA CYS A 885 -1.460 -1.606 4.323 1.00 0.00 C ATOM 515 C CYS A 885 -1.332 -1.470 5.828 1.00 0.00 C ATOM 516 O CYS A 885 -0.880 -0.435 6.336 1.00 0.00 O ATOM 517 CB CYS A 885 -0.250 -2.373 3.747 1.00 0.00 C ATOM 518 SG CYS A 885 0.028 -4.063 4.400 1.00 0.00 S ATOM 0 H CYS A 885 -0.729 -0.025 3.180 1.00 0.00 H new ATOM 0 HA CYS A 885 -2.367 -2.168 4.099 1.00 0.00 H new ATOM 0 HB2 CYS A 885 -0.371 -2.440 2.666 1.00 0.00 H new ATOM 0 HB3 CYS A 885 0.648 -1.783 3.931 1.00 0.00 H new ATOM 0 HG CYS A 885 1.223 -4.461 4.079 1.00 0.00 H new ATOM 523 N ASP A 886 -1.724 -2.503 6.524 1.00 0.00 N ATOM 524 CA ASP A 886 -1.633 -2.522 7.963 1.00 0.00 C ATOM 525 C ASP A 886 -0.257 -3.019 8.380 1.00 0.00 C ATOM 526 O ASP A 886 0.234 -2.693 9.464 1.00 0.00 O ATOM 527 CB ASP A 886 -2.725 -3.411 8.573 1.00 0.00 C ATOM 528 CG ASP A 886 -2.764 -3.341 10.090 1.00 0.00 C ATOM 529 OD1 ASP A 886 -3.240 -2.323 10.642 1.00 0.00 O ATOM 530 OD2 ASP A 886 -2.367 -4.316 10.765 1.00 0.00 O ATOM 0 H ASP A 886 -2.114 -3.352 6.114 1.00 0.00 H new ATOM 0 HA ASP A 886 -1.780 -1.508 8.334 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -3.695 -3.112 8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -2.560 -4.444 8.266 1.00 0.00 H new ATOM 535 N ASP A 887 0.390 -3.778 7.502 1.00 0.00 N ATOM 536 CA ASP A 887 1.699 -4.331 7.826 1.00 0.00 C ATOM 537 C ASP A 887 2.807 -3.405 7.362 1.00 0.00 C ATOM 538 O ASP A 887 3.743 -3.110 8.128 1.00 0.00 O ATOM 539 CB ASP A 887 1.908 -5.738 7.257 1.00 0.00 C ATOM 540 CG ASP A 887 3.234 -6.340 7.703 1.00 0.00 C ATOM 541 OD1 ASP A 887 3.288 -6.976 8.770 1.00 0.00 O ATOM 542 OD2 ASP A 887 4.250 -6.181 7.008 1.00 0.00 O ATOM 0 H ASP A 887 0.037 -4.021 6.576 1.00 0.00 H new ATOM 0 HA ASP A 887 1.737 -4.417 8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 887 1.090 -6.384 7.577 1.00 0.00 H new ATOM 0 HB3 ASP A 887 1.876 -5.698 6.168 1.00 0.00 H new ATOM 547 N CYS A 888 2.700 -2.903 6.146 1.00 0.00 N ATOM 548 CA CYS A 888 3.713 -2.002 5.653 1.00 0.00 C ATOM 549 C CYS A 888 3.220 -0.575 5.770 1.00 0.00 C ATOM 550 O CYS A 888 2.114 -0.331 6.254 1.00 0.00 O ATOM 551 CB CYS A 888 4.174 -2.346 4.205 1.00 0.00 C ATOM 552 SG CYS A 888 2.918 -2.238 2.897 1.00 0.00 S ATOM 0 H CYS A 888 1.938 -3.100 5.497 1.00 0.00 H new ATOM 0 HA CYS A 888 4.602 -2.120 6.273 1.00 0.00 H new ATOM 0 HB2 CYS A 888 4.995 -1.679 3.943 1.00 0.00 H new ATOM 0 HB3 CYS A 888 4.575 -3.360 4.208 1.00 0.00 H new ATOM 0 HG CYS A 888 3.453 -2.551 1.754 1.00 0.00 H new ATOM 557 N ASP A 889 4.010 0.348 5.333 1.00 0.00 N ATOM 558 CA ASP A 889 3.666 1.753 5.435 1.00 0.00 C ATOM 559 C ASP A 889 3.433 2.324 4.032 1.00 0.00 C ATOM 560 O ASP A 889 3.347 3.528 3.812 1.00 0.00 O ATOM 561 CB ASP A 889 4.771 2.495 6.201 1.00 0.00 C ATOM 562 CG ASP A 889 4.496 3.962 6.398 1.00 0.00 C ATOM 563 OD1 ASP A 889 3.586 4.319 7.182 1.00 0.00 O ATOM 564 OD2 ASP A 889 5.190 4.792 5.782 1.00 0.00 O ATOM 0 H ASP A 889 4.912 0.165 4.894 1.00 0.00 H new ATOM 0 HA ASP A 889 2.740 1.883 5.995 1.00 0.00 H new ATOM 0 HB2 ASP A 889 4.902 2.026 7.176 1.00 0.00 H new ATOM 0 HB3 ASP A 889 5.712 2.381 5.663 1.00 0.00 H new ATOM 569 N ASP A 890 3.281 1.427 3.091 1.00 0.00 N ATOM 570 CA ASP A 890 3.047 1.808 1.718 1.00 0.00 C ATOM 571 C ASP A 890 1.571 1.990 1.449 1.00 0.00 C ATOM 572 O ASP A 890 0.709 1.383 2.134 1.00 0.00 O ATOM 573 CB ASP A 890 3.680 0.816 0.729 1.00 0.00 C ATOM 574 CG ASP A 890 5.180 1.003 0.594 1.00 0.00 C ATOM 575 OD1 ASP A 890 5.954 0.518 1.452 1.00 0.00 O ATOM 576 OD2 ASP A 890 5.617 1.661 -0.372 1.00 0.00 O ATOM 0 H ASP A 890 3.315 0.420 3.251 1.00 0.00 H new ATOM 0 HA ASP A 890 3.538 2.769 1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 890 3.473 -0.202 1.059 1.00 0.00 H new ATOM 0 HB3 ASP A 890 3.213 0.936 -0.249 1.00 0.00 H new ATOM 581 N TRP A 891 1.275 2.826 0.482 1.00 0.00 N ATOM 582 CA TRP A 891 -0.082 3.152 0.110 1.00 0.00 C ATOM 583 C TRP A 891 -0.342 2.756 -1.311 1.00 0.00 C ATOM 584 O TRP A 891 0.504 2.938 -2.181 1.00 0.00 O ATOM 585 CB TRP A 891 -0.382 4.639 0.328 1.00 0.00 C ATOM 586 CG TRP A 891 -0.606 5.000 1.762 1.00 0.00 C ATOM 587 CD1 TRP A 891 0.300 4.973 2.777 1.00 0.00 C ATOM 588 CD2 TRP A 891 -1.826 5.455 2.335 1.00 0.00 C ATOM 589 NE1 TRP A 891 -0.294 5.354 3.947 1.00 0.00 N ATOM 590 CE2 TRP A 891 -1.597 5.660 3.702 1.00 0.00 C ATOM 591 CE3 TRP A 891 -3.095 5.699 1.821 1.00 0.00 C ATOM 592 CZ2 TRP A 891 -2.592 6.097 4.561 1.00 0.00 C ATOM 593 CZ3 TRP A 891 -4.082 6.136 2.671 1.00 0.00 C ATOM 594 CH2 TRP A 891 -3.827 6.330 4.029 1.00 0.00 C ATOM 0 H TRP A 891 1.980 3.306 -0.077 1.00 0.00 H new ATOM 0 HA TRP A 891 -0.753 2.587 0.756 1.00 0.00 H new ATOM 0 HB2 TRP A 891 0.447 5.229 -0.061 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -1.266 4.911 -0.249 1.00 0.00 H new ATOM 0 HD1 TRP A 891 1.337 4.691 2.673 1.00 0.00 H new ATOM 0 HE1 TRP A 891 0.165 5.401 4.857 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -3.301 5.548 0.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -2.398 6.248 5.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -5.070 6.332 2.282 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -4.624 6.672 4.673 1.00 0.00 H new ATOM 605 N TYR A 892 -1.502 2.209 -1.532 1.00 0.00 N ATOM 606 CA TYR A 892 -1.902 1.691 -2.815 1.00 0.00 C ATOM 607 C TYR A 892 -3.184 2.349 -3.232 1.00 0.00 C ATOM 608 O TYR A 892 -3.897 2.892 -2.403 1.00 0.00 O ATOM 609 CB TYR A 892 -2.151 0.187 -2.715 1.00 0.00 C ATOM 610 CG TYR A 892 -0.951 -0.656 -2.357 1.00 0.00 C ATOM 611 CD1 TYR A 892 -0.410 -0.625 -1.083 1.00 0.00 C ATOM 612 CD2 TYR A 892 -0.384 -1.507 -3.289 1.00 0.00 C ATOM 613 CE1 TYR A 892 0.653 -1.406 -0.747 1.00 0.00 C ATOM 614 CE2 TYR A 892 0.690 -2.296 -2.961 1.00 0.00 C ATOM 615 CZ TYR A 892 1.201 -2.242 -1.686 1.00 0.00 C ATOM 616 OH TYR A 892 2.240 -3.043 -1.339 1.00 0.00 O ATOM 0 H TYR A 892 -2.215 2.107 -0.810 1.00 0.00 H new ATOM 0 HA TYR A 892 -1.112 1.890 -3.539 1.00 0.00 H new ATOM 0 HB2 TYR A 892 -2.927 0.015 -1.969 1.00 0.00 H new ATOM 0 HB3 TYR A 892 -2.544 -0.161 -3.670 1.00 0.00 H new ATOM 0 HD1 TYR A 892 -0.840 0.032 -0.341 1.00 0.00 H new ATOM 0 HD2 TYR A 892 -0.792 -1.551 -4.288 1.00 0.00 H new ATOM 0 HE1 TYR A 892 1.062 -1.368 0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 892 1.129 -2.953 -3.697 1.00 0.00 H new ATOM 0 HH TYR A 892 2.026 -3.515 -0.507 1.00 0.00 H new ATOM 626 N HIS A 893 -3.493 2.289 -4.491 1.00 0.00 N ATOM 627 CA HIS A 893 -4.738 2.862 -4.990 1.00 0.00 C ATOM 628 C HIS A 893 -5.841 1.832 -4.859 1.00 0.00 C ATOM 629 O HIS A 893 -5.586 0.630 -5.007 1.00 0.00 O ATOM 630 CB HIS A 893 -4.636 3.288 -6.465 1.00 0.00 C ATOM 631 CG HIS A 893 -3.584 4.305 -6.779 1.00 0.00 C ATOM 632 ND1 HIS A 893 -2.416 3.946 -7.409 1.00 0.00 N ATOM 633 CD2 HIS A 893 -3.576 5.641 -6.570 1.00 0.00 C ATOM 634 CE1 HIS A 893 -1.726 5.078 -7.559 1.00 0.00 C ATOM 635 NE2 HIS A 893 -2.386 6.109 -7.073 1.00 0.00 N ATOM 0 H HIS A 893 -2.910 1.852 -5.205 1.00 0.00 H new ATOM 0 HA HIS A 893 -4.952 3.752 -4.398 1.00 0.00 H new ATOM 0 HB2 HIS A 893 -4.447 2.400 -7.068 1.00 0.00 H new ATOM 0 HB3 HIS A 893 -5.602 3.685 -6.776 1.00 0.00 H new ATOM 0 HD2 HIS A 893 -4.353 6.226 -6.100 1.00 0.00 H new ATOM 0 HE1 HIS A 893 -0.751 5.141 -8.020 1.00 0.00 H new ATOM 0 HE2 HIS A 893 -2.071 7.079 -7.070 1.00 0.00 H new ATOM 643 N TRP A 894 -7.053 2.293 -4.595 1.00 0.00 N ATOM 644 CA TRP A 894 -8.233 1.416 -4.481 1.00 0.00 C ATOM 645 C TRP A 894 -8.399 0.428 -5.669 1.00 0.00 C ATOM 646 O TRP A 894 -8.490 -0.785 -5.441 1.00 0.00 O ATOM 647 CB TRP A 894 -9.530 2.223 -4.254 1.00 0.00 C ATOM 648 CG TRP A 894 -9.752 2.681 -2.841 1.00 0.00 C ATOM 649 CD1 TRP A 894 -8.840 2.732 -1.824 1.00 0.00 C ATOM 650 CD2 TRP A 894 -10.991 3.142 -2.290 1.00 0.00 C ATOM 651 NE1 TRP A 894 -9.444 3.189 -0.675 1.00 0.00 N ATOM 652 CE2 TRP A 894 -10.758 3.455 -0.938 1.00 0.00 C ATOM 653 CE3 TRP A 894 -12.276 3.322 -2.813 1.00 0.00 C ATOM 654 CZ2 TRP A 894 -11.762 3.935 -0.104 1.00 0.00 C ATOM 655 CZ3 TRP A 894 -13.271 3.799 -1.982 1.00 0.00 C ATOM 656 CH2 TRP A 894 -13.008 4.101 -0.643 1.00 0.00 C ATOM 0 H TRP A 894 -7.258 3.282 -4.452 1.00 0.00 H new ATOM 0 HA TRP A 894 -8.047 0.804 -3.598 1.00 0.00 H new ATOM 0 HB2 TRP A 894 -9.515 3.097 -4.905 1.00 0.00 H new ATOM 0 HB3 TRP A 894 -10.379 1.612 -4.560 1.00 0.00 H new ATOM 0 HD1 TRP A 894 -7.800 2.455 -1.910 1.00 0.00 H new ATOM 0 HE1 TRP A 894 -8.985 3.310 0.228 1.00 0.00 H new ATOM 0 HE3 TRP A 894 -12.486 3.092 -3.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 -11.565 4.168 0.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 -14.268 3.941 -2.373 1.00 0.00 H new ATOM 0 HH2 TRP A 894 -13.807 4.474 -0.020 1.00 0.00 H new ATOM 667 N PRO A 895 -8.413 0.901 -6.952 1.00 0.00 N ATOM 668 CA PRO A 895 -8.586 0.009 -8.120 1.00 0.00 C ATOM 669 C PRO A 895 -7.397 -0.947 -8.355 1.00 0.00 C ATOM 670 O PRO A 895 -7.484 -1.872 -9.173 1.00 0.00 O ATOM 671 CB PRO A 895 -8.711 0.987 -9.298 1.00 0.00 C ATOM 672 CG PRO A 895 -8.005 2.207 -8.836 1.00 0.00 C ATOM 673 CD PRO A 895 -8.327 2.321 -7.385 1.00 0.00 C ATOM 0 HA PRO A 895 -9.443 -0.650 -7.982 1.00 0.00 H new ATOM 0 HB2 PRO A 895 -8.256 0.582 -10.202 1.00 0.00 H new ATOM 0 HB3 PRO A 895 -9.755 1.196 -9.533 1.00 0.00 H new ATOM 0 HG2 PRO A 895 -6.930 2.124 -8.995 1.00 0.00 H new ATOM 0 HG3 PRO A 895 -8.341 3.087 -9.384 1.00 0.00 H new ATOM 0 HD2 PRO A 895 -7.554 2.863 -6.841 1.00 0.00 H new ATOM 0 HD3 PRO A 895 -9.265 2.851 -7.220 1.00 0.00 H new ATOM 681 N CYS A 896 -6.301 -0.732 -7.658 1.00 0.00 N ATOM 682 CA CYS A 896 -5.126 -1.559 -7.831 1.00 0.00 C ATOM 683 C CYS A 896 -5.187 -2.780 -6.943 1.00 0.00 C ATOM 684 O CYS A 896 -4.721 -3.866 -7.303 1.00 0.00 O ATOM 685 CB CYS A 896 -3.906 -0.738 -7.488 1.00 0.00 C ATOM 686 SG CYS A 896 -3.772 0.778 -8.467 1.00 0.00 S ATOM 0 H CYS A 896 -6.200 0.010 -6.965 1.00 0.00 H new ATOM 0 HA CYS A 896 -5.077 -1.899 -8.865 1.00 0.00 H new ATOM 0 HB2 CYS A 896 -3.936 -0.478 -6.430 1.00 0.00 H new ATOM 0 HB3 CYS A 896 -3.013 -1.343 -7.643 1.00 0.00 H new ATOM 0 HG CYS A 896 -2.525 0.992 -8.767 1.00 0.00 H new ATOM 691 N VAL A 897 -5.768 -2.607 -5.804 1.00 0.00 N ATOM 692 CA VAL A 897 -5.830 -3.655 -4.828 1.00 0.00 C ATOM 693 C VAL A 897 -7.212 -4.279 -4.758 1.00 0.00 C ATOM 694 O VAL A 897 -7.387 -5.352 -4.190 1.00 0.00 O ATOM 695 CB VAL A 897 -5.383 -3.144 -3.454 1.00 0.00 C ATOM 696 CG1 VAL A 897 -3.904 -2.819 -3.488 1.00 0.00 C ATOM 697 CG2 VAL A 897 -6.161 -1.903 -3.098 1.00 0.00 C ATOM 0 H VAL A 897 -6.215 -1.736 -5.518 1.00 0.00 H new ATOM 0 HA VAL A 897 -5.140 -4.438 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 897 -5.568 -3.915 -2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 897 -3.589 -2.456 -2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 897 -3.340 -3.717 -3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 897 -3.718 -2.050 -4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 897 -5.842 -1.541 -2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 897 -5.980 -1.132 -3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 897 -7.225 -2.137 -3.068 1.00 0.00 H new ATOM 707 N GLY A 898 -8.188 -3.599 -5.322 1.00 0.00 N ATOM 708 CA GLY A 898 -9.512 -4.142 -5.381 1.00 0.00 C ATOM 709 C GLY A 898 -10.395 -3.658 -4.256 1.00 0.00 C ATOM 710 O GLY A 898 -11.070 -4.459 -3.588 1.00 0.00 O ATOM 0 H GLY A 898 -8.082 -2.675 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 898 -9.967 -3.874 -6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 898 -9.455 -5.230 -5.349 1.00 0.00 H new ATOM 714 N ILE A 899 -10.389 -2.368 -4.019 1.00 0.00 N ATOM 715 CA ILE A 899 -11.256 -1.807 -3.016 1.00 0.00 C ATOM 716 C ILE A 899 -12.514 -1.311 -3.686 1.00 0.00 C ATOM 717 O ILE A 899 -12.502 -0.298 -4.389 1.00 0.00 O ATOM 718 CB ILE A 899 -10.620 -0.640 -2.219 1.00 0.00 C ATOM 719 CG1 ILE A 899 -9.310 -1.053 -1.561 1.00 0.00 C ATOM 720 CG2 ILE A 899 -11.588 -0.125 -1.165 1.00 0.00 C ATOM 721 CD1 ILE A 899 -9.430 -2.186 -0.570 1.00 0.00 C ATOM 0 H ILE A 899 -9.798 -1.693 -4.504 1.00 0.00 H new ATOM 0 HA ILE A 899 -11.461 -2.601 -2.298 1.00 0.00 H new ATOM 0 HB ILE A 899 -10.403 0.158 -2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 899 -8.604 -1.343 -2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 899 -8.886 -0.187 -1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 899 -11.125 0.694 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 899 -12.497 0.231 -1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 899 -11.837 -0.931 -0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 899 -8.448 -2.410 -0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 899 -10.108 -1.897 0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 899 -9.821 -3.070 -1.074 1.00 0.00 H new ATOM 733 N MET A 900 -13.572 -2.037 -3.504 1.00 0.00 N ATOM 734 CA MET A 900 -14.856 -1.671 -4.059 1.00 0.00 C ATOM 735 C MET A 900 -15.597 -0.741 -3.105 1.00 0.00 C ATOM 736 O MET A 900 -16.518 -0.027 -3.506 1.00 0.00 O ATOM 737 CB MET A 900 -15.694 -2.922 -4.375 1.00 0.00 C ATOM 738 CG MET A 900 -15.874 -3.873 -3.198 1.00 0.00 C ATOM 739 SD MET A 900 -16.910 -5.292 -3.588 1.00 0.00 S ATOM 740 CE MET A 900 -18.467 -4.476 -3.898 1.00 0.00 C ATOM 0 H MET A 900 -13.579 -2.904 -2.967 1.00 0.00 H new ATOM 0 HA MET A 900 -14.690 -1.139 -4.996 1.00 0.00 H new ATOM 0 HB2 MET A 900 -16.677 -2.607 -4.725 1.00 0.00 H new ATOM 0 HB3 MET A 900 -15.222 -3.463 -5.195 1.00 0.00 H new ATOM 0 HG2 MET A 900 -14.896 -4.224 -2.870 1.00 0.00 H new ATOM 0 HG3 MET A 900 -16.314 -3.328 -2.363 1.00 0.00 H new ATOM 0 HE1 MET A 900 -19.283 -5.187 -3.769 1.00 0.00 H new ATOM 0 HE2 MET A 900 -18.591 -3.650 -3.197 1.00 0.00 H new ATOM 0 HE3 MET A 900 -18.479 -4.091 -4.918 1.00 0.00 H new ATOM 750 N ALA A 901 -15.176 -0.760 -1.850 1.00 0.00 N ATOM 751 CA ALA A 901 -15.713 0.071 -0.794 1.00 0.00 C ATOM 752 C ALA A 901 -14.811 -0.096 0.382 1.00 0.00 C ATOM 753 O ALA A 901 -14.177 -1.157 0.493 1.00 0.00 O ATOM 754 CB ALA A 901 -17.131 -0.347 -0.424 1.00 0.00 C ATOM 0 H ALA A 901 -14.427 -1.375 -1.533 1.00 0.00 H new ATOM 0 HA ALA A 901 -15.762 1.110 -1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 901 -17.504 0.297 0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 901 -17.777 -0.256 -1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 901 -17.128 -1.382 -0.081 1.00 0.00 H new ATOM 760 N ALA A 902 -14.721 0.930 1.222 1.00 0.00 N ATOM 761 CA ALA A 902 -13.880 0.933 2.415 1.00 0.00 C ATOM 762 C ALA A 902 -14.037 -0.379 3.194 1.00 0.00 C ATOM 763 O ALA A 902 -15.128 -0.687 3.703 1.00 0.00 O ATOM 764 CB ALA A 902 -14.235 2.119 3.303 1.00 0.00 C ATOM 0 H ALA A 902 -15.240 1.798 1.091 1.00 0.00 H new ATOM 0 HA ALA A 902 -12.840 1.023 2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -13.602 2.112 4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -14.077 3.046 2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -15.281 2.049 3.603 1.00 0.00 H new ATOM 770 N PRO A 903 -12.976 -1.206 3.216 1.00 0.00 N ATOM 771 CA PRO A 903 -13.000 -2.506 3.871 1.00 0.00 C ATOM 772 C PRO A 903 -13.301 -2.395 5.356 1.00 0.00 C ATOM 773 O PRO A 903 -12.793 -1.482 6.032 1.00 0.00 O ATOM 774 CB PRO A 903 -11.598 -3.080 3.648 1.00 0.00 C ATOM 775 CG PRO A 903 -10.756 -1.931 3.216 1.00 0.00 C ATOM 776 CD PRO A 903 -11.679 -0.927 2.587 1.00 0.00 C ATOM 0 HA PRO A 903 -13.787 -3.140 3.462 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -11.209 -3.529 4.562 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -11.611 -3.863 2.889 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -10.232 -1.495 4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -9.996 -2.255 2.505 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -11.351 0.094 2.780 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -11.724 -1.048 1.505 1.00 0.00 H new ATOM 845 N GLN A 908 -8.615 -7.288 8.701 1.00 0.00 N ATOM 846 CA GLN A 908 -7.333 -6.658 8.517 1.00 0.00 C ATOM 847 C GLN A 908 -7.103 -6.511 7.042 1.00 0.00 C ATOM 848 O GLN A 908 -7.552 -7.351 6.261 1.00 0.00 O ATOM 849 CB GLN A 908 -6.218 -7.489 9.147 1.00 0.00 C ATOM 850 CG GLN A 908 -6.374 -7.677 10.647 1.00 0.00 C ATOM 851 CD GLN A 908 -6.305 -6.371 11.424 1.00 0.00 C ATOM 852 OE1 GLN A 908 -6.955 -6.226 12.448 1.00 0.00 O ATOM 853 NE2 GLN A 908 -5.479 -5.447 10.986 1.00 0.00 N ATOM 0 HA GLN A 908 -7.326 -5.684 9.005 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -6.190 -8.467 8.667 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -5.260 -7.008 8.947 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -7.329 -8.162 10.849 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -5.593 -8.348 11.006 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -4.951 -5.601 10.127 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -5.366 -4.576 11.505 1.00 0.00 H new ATOM 862 N TRP A 909 -6.457 -5.476 6.642 1.00 0.00 N ATOM 863 CA TRP A 909 -6.243 -5.277 5.244 1.00 0.00 C ATOM 864 C TRP A 909 -4.769 -5.295 4.926 1.00 0.00 C ATOM 865 O TRP A 909 -3.975 -4.589 5.564 1.00 0.00 O ATOM 866 CB TRP A 909 -6.900 -3.980 4.742 1.00 0.00 C ATOM 867 CG TRP A 909 -6.834 -3.866 3.252 1.00 0.00 C ATOM 868 CD1 TRP A 909 -7.744 -4.345 2.357 1.00 0.00 C ATOM 869 CD2 TRP A 909 -5.791 -3.265 2.477 1.00 0.00 C ATOM 870 NE1 TRP A 909 -7.313 -4.102 1.080 1.00 0.00 N ATOM 871 CE2 TRP A 909 -6.126 -3.424 1.133 1.00 0.00 C ATOM 872 CE3 TRP A 909 -4.609 -2.607 2.801 1.00 0.00 C ATOM 873 CZ2 TRP A 909 -5.321 -2.957 0.115 1.00 0.00 C ATOM 874 CZ3 TRP A 909 -3.808 -2.139 1.780 1.00 0.00 C ATOM 875 CH2 TRP A 909 -4.169 -2.314 0.453 1.00 0.00 C ATOM 0 H TRP A 909 -6.068 -4.756 7.251 1.00 0.00 H new ATOM 0 HA TRP A 909 -6.721 -6.103 4.717 1.00 0.00 H new ATOM 0 HB2 TRP A 909 -7.941 -3.952 5.063 1.00 0.00 H new ATOM 0 HB3 TRP A 909 -6.403 -3.122 5.195 1.00 0.00 H new ATOM 0 HD1 TRP A 909 -8.667 -4.842 2.616 1.00 0.00 H new ATOM 0 HE1 TRP A 909 -7.798 -4.381 0.227 1.00 0.00 H new ATOM 0 HE3 TRP A 909 -4.324 -2.465 3.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 -5.596 -3.097 -0.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 -2.886 -1.629 2.018 1.00 0.00 H new ATOM 0 HH2 TRP A 909 -3.525 -1.934 -0.326 1.00 0.00 H new ATOM 886 N PHE A 910 -4.409 -6.101 3.957 1.00 0.00 N ATOM 887 CA PHE A 910 -3.043 -6.207 3.515 1.00 0.00 C ATOM 888 C PHE A 910 -3.006 -6.100 2.007 1.00 0.00 C ATOM 889 O PHE A 910 -3.945 -6.535 1.312 1.00 0.00 O ATOM 890 CB PHE A 910 -2.411 -7.531 3.979 1.00 0.00 C ATOM 891 CG PHE A 910 -2.453 -7.725 5.471 1.00 0.00 C ATOM 892 CD1 PHE A 910 -1.650 -6.963 6.306 1.00 0.00 C ATOM 893 CD2 PHE A 910 -3.314 -8.652 6.040 1.00 0.00 C ATOM 894 CE1 PHE A 910 -1.703 -7.125 7.675 1.00 0.00 C ATOM 895 CE2 PHE A 910 -3.370 -8.815 7.406 1.00 0.00 C ATOM 896 CZ PHE A 910 -2.564 -8.051 8.225 1.00 0.00 C ATOM 0 H PHE A 910 -5.059 -6.703 3.452 1.00 0.00 H new ATOM 0 HA PHE A 910 -2.462 -5.397 3.955 1.00 0.00 H new ATOM 0 HB2 PHE A 910 -2.929 -8.360 3.498 1.00 0.00 H new ATOM 0 HB3 PHE A 910 -1.374 -7.566 3.645 1.00 0.00 H new ATOM 0 HD1 PHE A 910 -0.976 -6.235 5.880 1.00 0.00 H new ATOM 0 HD2 PHE A 910 -3.948 -9.253 5.404 1.00 0.00 H new ATOM 0 HE1 PHE A 910 -1.071 -6.527 8.315 1.00 0.00 H new ATOM 0 HE2 PHE A 910 -4.044 -9.540 7.836 1.00 0.00 H new ATOM 0 HZ PHE A 910 -2.608 -8.178 9.297 1.00 0.00 H new ATOM 906 N CYS A 911 -1.969 -5.521 1.505 1.00 0.00 N ATOM 907 CA CYS A 911 -1.803 -5.322 0.099 1.00 0.00 C ATOM 908 C CYS A 911 -1.392 -6.627 -0.578 1.00 0.00 C ATOM 909 O CYS A 911 -0.986 -7.550 0.102 1.00 0.00 O ATOM 910 CB CYS A 911 -0.724 -4.281 -0.067 1.00 0.00 C ATOM 911 SG CYS A 911 0.850 -4.672 0.758 1.00 0.00 S ATOM 0 H CYS A 911 -1.196 -5.165 2.068 1.00 0.00 H new ATOM 0 HA CYS A 911 -2.735 -4.996 -0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 911 -0.535 -4.141 -1.131 1.00 0.00 H new ATOM 0 HB3 CYS A 911 -1.094 -3.331 0.319 1.00 0.00 H new ATOM 0 HG CYS A 911 0.721 -4.504 2.041 1.00 0.00 H new ATOM 916 N PRO A 912 -1.487 -6.722 -1.928 1.00 0.00 N ATOM 917 CA PRO A 912 -1.038 -7.906 -2.694 1.00 0.00 C ATOM 918 C PRO A 912 0.425 -8.301 -2.362 1.00 0.00 C ATOM 919 O PRO A 912 0.819 -9.463 -2.489 1.00 0.00 O ATOM 920 CB PRO A 912 -1.154 -7.444 -4.170 1.00 0.00 C ATOM 921 CG PRO A 912 -1.358 -5.958 -4.098 1.00 0.00 C ATOM 922 CD PRO A 912 -2.082 -5.723 -2.818 1.00 0.00 C ATOM 0 HA PRO A 912 -1.631 -8.791 -2.463 1.00 0.00 H new ATOM 0 HB2 PRO A 912 -0.254 -7.692 -4.733 1.00 0.00 H new ATOM 0 HB3 PRO A 912 -1.989 -7.933 -4.672 1.00 0.00 H new ATOM 0 HG2 PRO A 912 -0.405 -5.429 -4.114 1.00 0.00 H new ATOM 0 HG3 PRO A 912 -1.937 -5.599 -4.949 1.00 0.00 H new ATOM 0 HD2 PRO A 912 -1.932 -4.709 -2.447 1.00 0.00 H new ATOM 0 HD3 PRO A 912 -3.157 -5.866 -2.928 1.00 0.00 H new ATOM 930 N LYS A 913 1.192 -7.334 -1.892 1.00 0.00 N ATOM 931 CA LYS A 913 2.570 -7.545 -1.538 1.00 0.00 C ATOM 932 C LYS A 913 2.674 -8.227 -0.172 1.00 0.00 C ATOM 933 O LYS A 913 3.295 -9.290 -0.047 1.00 0.00 O ATOM 934 CB LYS A 913 3.328 -6.212 -1.544 1.00 0.00 C ATOM 935 CG LYS A 913 3.469 -5.567 -2.917 1.00 0.00 C ATOM 936 CD LYS A 913 4.521 -6.267 -3.760 1.00 0.00 C ATOM 937 CE LYS A 913 4.644 -5.630 -5.132 1.00 0.00 C ATOM 938 NZ LYS A 913 3.447 -5.852 -5.976 1.00 0.00 N ATOM 0 H LYS A 913 0.868 -6.378 -1.747 1.00 0.00 H new ATOM 0 HA LYS A 913 3.026 -8.202 -2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 913 2.815 -5.515 -0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 913 4.323 -6.373 -1.129 1.00 0.00 H new ATOM 0 HG2 LYS A 913 2.510 -5.597 -3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 913 3.736 -4.517 -2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 913 5.484 -6.227 -3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 913 4.261 -7.320 -3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 913 4.808 -4.559 -5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 913 5.520 -6.034 -5.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 3.708 -6.424 -6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 2.721 -6.353 -5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 3.070 -4.936 -6.292 1.00 0.00 H new ATOM 952 N CYS A 914 2.045 -7.655 0.838 1.00 0.00 N ATOM 953 CA CYS A 914 2.110 -8.228 2.167 1.00 0.00 C ATOM 954 C CYS A 914 1.181 -9.426 2.357 1.00 0.00 C ATOM 955 O CYS A 914 1.477 -10.297 3.153 1.00 0.00 O ATOM 956 CB CYS A 914 1.890 -7.168 3.248 1.00 0.00 C ATOM 957 SG CYS A 914 3.223 -5.936 3.361 1.00 0.00 S ATOM 0 H CYS A 914 1.489 -6.803 0.764 1.00 0.00 H new ATOM 0 HA CYS A 914 3.123 -8.615 2.277 1.00 0.00 H new ATOM 0 HB2 CYS A 914 0.950 -6.653 3.051 1.00 0.00 H new ATOM 0 HB3 CYS A 914 1.786 -7.664 4.213 1.00 0.00 H new ATOM 0 HG CYS A 914 2.772 -4.773 2.994 1.00 0.00 H new ATOM 962 N ALA A 915 0.099 -9.483 1.600 1.00 0.00 N ATOM 963 CA ALA A 915 -0.883 -10.567 1.706 1.00 0.00 C ATOM 964 C ALA A 915 -0.265 -11.928 1.430 1.00 0.00 C ATOM 965 O ALA A 915 -0.678 -12.918 2.004 1.00 0.00 O ATOM 966 CB ALA A 915 -2.082 -10.329 0.806 1.00 0.00 C ATOM 0 H ALA A 915 -0.130 -8.784 0.893 1.00 0.00 H new ATOM 0 HA ALA A 915 -1.232 -10.568 2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 915 -2.787 -11.154 0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 915 -2.570 -9.396 1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 915 -1.752 -10.266 -0.231 1.00 0.00 H new ATOM 972 N ASN A 916 0.733 -11.976 0.571 1.00 0.00 N ATOM 973 CA ASN A 916 1.429 -13.235 0.295 1.00 0.00 C ATOM 974 C ASN A 916 2.338 -13.595 1.460 1.00 0.00 C ATOM 975 O ASN A 916 2.474 -14.757 1.849 1.00 0.00 O ATOM 976 CB ASN A 916 2.243 -13.138 -0.993 1.00 0.00 C ATOM 977 CG ASN A 916 2.999 -14.424 -1.287 1.00 0.00 C ATOM 978 OD1 ASN A 916 4.168 -14.575 -0.930 1.00 0.00 O ATOM 979 ND2 ASN A 916 2.327 -15.358 -1.884 1.00 0.00 N ATOM 0 H ASN A 916 1.084 -11.171 0.052 1.00 0.00 H new ATOM 0 HA ASN A 916 0.681 -14.018 0.169 1.00 0.00 H new ATOM 0 HB2 ASN A 916 1.578 -12.910 -1.826 1.00 0.00 H new ATOM 0 HB3 ASN A 916 2.950 -12.312 -0.914 1.00 0.00 H new ATOM 0 HD21 ASN A 916 2.765 -16.259 -2.074 1.00 0.00 H new ATOM 0 HD22 ASN A 916 1.360 -15.192 -2.163 1.00 0.00 H new ATOM 986 N LYS A 917 2.900 -12.575 2.044 1.00 0.00 N ATOM 987 CA LYS A 917 3.834 -12.694 3.163 1.00 0.00 C ATOM 988 C LYS A 917 3.104 -13.115 4.447 1.00 0.00 C ATOM 989 O LYS A 917 3.729 -13.524 5.422 1.00 0.00 O ATOM 990 CB LYS A 917 4.533 -11.355 3.398 1.00 0.00 C ATOM 991 CG LYS A 917 5.230 -10.776 2.175 1.00 0.00 C ATOM 992 CD LYS A 917 5.826 -9.427 2.500 1.00 0.00 C ATOM 993 CE LYS A 917 6.476 -8.762 1.306 1.00 0.00 C ATOM 994 NZ LYS A 917 7.050 -7.454 1.680 1.00 0.00 N ATOM 0 H LYS A 917 2.728 -11.610 1.760 1.00 0.00 H new ATOM 0 HA LYS A 917 4.569 -13.459 2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 917 3.797 -10.634 3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 917 5.268 -11.479 4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 917 6.013 -11.456 1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 917 4.519 -10.679 1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 917 5.044 -8.775 2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 917 6.567 -9.545 3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 917 7.259 -9.407 0.907 1.00 0.00 H new ATOM 0 HE3 LYS A 917 5.740 -8.627 0.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 7.490 -7.017 0.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 6.296 -6.834 2.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 7.769 -7.589 2.420 1.00 0.00 H new ATOM 1008 N ILE A 918 1.785 -12.988 4.438 1.00 0.00 N ATOM 1009 CA ILE A 918 0.936 -13.360 5.556 1.00 0.00 C ATOM 1010 C ILE A 918 0.999 -14.866 5.838 1.00 0.00 C ATOM 1011 O ILE A 918 0.813 -15.277 6.984 1.00 0.00 O ATOM 1012 CB ILE A 918 -0.534 -12.904 5.297 1.00 0.00 C ATOM 1013 CG1 ILE A 918 -0.611 -11.380 5.192 1.00 0.00 C ATOM 1014 CG2 ILE A 918 -1.504 -13.422 6.352 1.00 0.00 C ATOM 1015 CD1 ILE A 918 -0.153 -10.632 6.432 1.00 0.00 C ATOM 0 H ILE A 918 1.268 -12.618 3.640 1.00 0.00 H new ATOM 0 HA ILE A 918 1.309 -12.848 6.443 1.00 0.00 H new ATOM 0 HB ILE A 918 -0.841 -13.342 4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 918 -0.005 -11.057 4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 918 -1.641 -11.097 4.973 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -2.511 -13.074 6.122 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -1.488 -14.512 6.357 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -1.207 -13.051 7.333 1.00 0.00 H new ATOM 0 HD11 ILE A 918 -0.243 -9.559 6.264 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -0.774 -10.920 7.281 1.00 0.00 H new ATOM 0 HD13 ILE A 918 0.887 -10.880 6.643 1.00 0.00 H new