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 -152:sc= 1.17 USER MOD Set 1.2: A 873 CYS SG : rot -73:sc= -1.34! USER MOD Set 1.3: A 893 HIS : no HD1:sc= -1.38 X(o=-5.4,f=-5.2) USER MOD Set 1.4: A 896 CYS SG : rot -133:sc= -3.85! USER MOD Set 2.1: A 885 CYS SG : rot -173:sc= 1.93 USER MOD Set 2.2: A 888 CYS SG : rot 117:sc= 0.314 USER MOD Set 2.3: A 892 TYR OH : rot 62:sc= 0.544 USER MOD Set 2.4: A 911 CYS SG : rot -81:sc= -0.716! USER MOD Set 2.5: A 914 CYS SG : rot 86:sc= -2.66! USER MOD Set 2.6: A 917 LYS NZ :NH3+ -152:sc= 1.32 (180deg=0.331) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -0.969! X(o=-0.97!,f=-1.1) USER MOD Single : A 866 GLN : amide:sc= -0.526 K(o=-0.53,f=0) USER MOD Single : A 874 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.38) USER MOD Single : A 875 LYS NZ :NH3+ -171:sc= -0.538 (180deg=-0.633) USER MOD Single : A 880 SER OG : rot 180:sc= -0.598 USER MOD Single : A 882 MET CE :methyl -118:sc=-0.00508 (180deg=-0.272) USER MOD Single : A 900 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 908 GLN : amide:sc= -0.264! X(o=-0.26!,f=0) USER MOD Single : A 913 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0299) USER MOD Single : A 916 ASN : amide:sc= -0.705 K(o=-0.71,f=0) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 857 9.545 4.084 -5.267 1.00 0.00 N ATOM 93 CA TYR A 857 8.135 4.090 -4.931 1.00 0.00 C ATOM 94 C TYR A 857 7.761 5.257 -4.009 1.00 0.00 C ATOM 95 O TYR A 857 6.685 5.256 -3.393 1.00 0.00 O ATOM 96 CB TYR A 857 7.710 2.765 -4.303 1.00 0.00 C ATOM 97 CG TYR A 857 7.869 1.558 -5.200 1.00 0.00 C ATOM 98 CD1 TYR A 857 6.845 1.160 -6.043 1.00 0.00 C ATOM 99 CD2 TYR A 857 9.032 0.810 -5.188 1.00 0.00 C ATOM 100 CE1 TYR A 857 6.978 0.051 -6.855 1.00 0.00 C ATOM 101 CE2 TYR A 857 9.175 -0.304 -5.990 1.00 0.00 C ATOM 102 CZ TYR A 857 8.145 -0.680 -6.823 1.00 0.00 C ATOM 103 OH TYR A 857 8.276 -1.796 -7.619 1.00 0.00 O ATOM 0 HA TYR A 857 7.594 4.223 -5.868 1.00 0.00 H new ATOM 0 HB2 TYR A 857 8.293 2.605 -3.396 1.00 0.00 H new ATOM 0 HB3 TYR A 857 6.665 2.841 -4.001 1.00 0.00 H new ATOM 0 HD1 TYR A 857 5.926 1.727 -6.066 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.844 1.103 -4.539 1.00 0.00 H new ATOM 0 HE1 TYR A 857 6.172 -0.241 -7.511 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.090 -0.878 -5.964 1.00 0.00 H new ATOM 0 HH TYR A 857 9.159 -2.196 -7.478 1.00 0.00 H new ATOM 113 N VAL A 858 8.622 6.249 -3.919 1.00 0.00 N ATOM 114 CA VAL A 858 8.332 7.403 -3.086 1.00 0.00 C ATOM 115 C VAL A 858 8.852 8.717 -3.707 1.00 0.00 C ATOM 116 O VAL A 858 10.045 8.886 -3.954 1.00 0.00 O ATOM 117 CB VAL A 858 8.834 7.211 -1.614 1.00 0.00 C ATOM 118 CG1 VAL A 858 10.350 7.062 -1.518 1.00 0.00 C ATOM 119 CG2 VAL A 858 8.317 8.318 -0.702 1.00 0.00 C ATOM 0 H VAL A 858 9.518 6.283 -4.405 1.00 0.00 H new ATOM 0 HA VAL A 858 7.246 7.486 -3.040 1.00 0.00 H new ATOM 0 HB VAL A 858 8.415 6.268 -1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 858 10.637 6.932 -0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 858 10.667 6.192 -2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 858 10.829 7.955 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 858 8.683 8.155 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 858 8.670 9.283 -1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 858 7.227 8.308 -0.700 1.00 0.00 H new ATOM 129 N ILE A 859 7.941 9.622 -3.979 1.00 0.00 N ATOM 130 CA ILE A 859 8.280 10.930 -4.542 1.00 0.00 C ATOM 131 C ILE A 859 7.914 11.972 -3.490 1.00 0.00 C ATOM 132 O ILE A 859 7.159 11.667 -2.571 1.00 0.00 O ATOM 133 CB ILE A 859 7.463 11.217 -5.859 1.00 0.00 C ATOM 134 CG1 ILE A 859 7.605 10.057 -6.848 1.00 0.00 C ATOM 135 CG2 ILE A 859 7.929 12.520 -6.530 1.00 0.00 C ATOM 136 CD1 ILE A 859 6.801 10.243 -8.123 1.00 0.00 C ATOM 0 H ILE A 859 6.943 9.483 -3.821 1.00 0.00 H new ATOM 0 HA ILE A 859 9.339 10.960 -4.797 1.00 0.00 H new ATOM 0 HB ILE A 859 6.416 11.323 -5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 859 8.657 9.937 -7.106 1.00 0.00 H new ATOM 0 HG13 ILE A 859 7.289 9.134 -6.361 1.00 0.00 H new ATOM 0 HG21 ILE A 859 7.347 12.691 -7.436 1.00 0.00 H new ATOM 0 HG22 ILE A 859 7.785 13.354 -5.843 1.00 0.00 H new ATOM 0 HG23 ILE A 859 8.985 12.439 -6.787 1.00 0.00 H new ATOM 0 HD11 ILE A 859 6.950 9.383 -8.776 1.00 0.00 H new ATOM 0 HD12 ILE A 859 5.743 10.332 -7.876 1.00 0.00 H new ATOM 0 HD13 ILE A 859 7.132 11.148 -8.633 1.00 0.00 H new ATOM 148 N ARG A 860 8.447 13.164 -3.568 1.00 0.00 N ATOM 149 CA ARG A 860 8.046 14.176 -2.639 1.00 0.00 C ATOM 150 C ARG A 860 7.109 15.156 -3.306 1.00 0.00 C ATOM 151 O ARG A 860 7.371 15.644 -4.408 1.00 0.00 O ATOM 152 CB ARG A 860 9.218 14.892 -1.970 1.00 0.00 C ATOM 153 CG ARG A 860 10.141 13.970 -1.188 1.00 0.00 C ATOM 154 CD ARG A 860 11.040 14.755 -0.249 1.00 0.00 C ATOM 155 NE ARG A 860 10.278 15.353 0.872 1.00 0.00 N ATOM 156 CZ ARG A 860 10.779 16.211 1.778 1.00 0.00 C ATOM 157 NH1 ARG A 860 11.989 16.734 1.612 1.00 0.00 N ATOM 158 NH2 ARG A 860 10.043 16.578 2.823 1.00 0.00 N ATOM 0 H ARG A 860 9.146 13.450 -4.253 1.00 0.00 H new ATOM 0 HA ARG A 860 7.518 13.669 -1.832 1.00 0.00 H new ATOM 0 HB2 ARG A 860 9.799 15.408 -2.734 1.00 0.00 H new ATOM 0 HB3 ARG A 860 8.828 15.655 -1.297 1.00 0.00 H new ATOM 0 HG2 ARG A 860 9.547 13.258 -0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 860 10.752 13.391 -1.881 1.00 0.00 H new ATOM 0 HD2 ARG A 860 11.814 14.097 0.148 1.00 0.00 H new ATOM 0 HD3 ARG A 860 11.546 15.544 -0.806 1.00 0.00 H new ATOM 0 HE ARG A 860 9.296 15.093 0.964 1.00 0.00 H new ATOM 0 HH11 ARG A 860 12.544 16.485 0.793 1.00 0.00 H new ATOM 0 HH12 ARG A 860 12.363 17.384 2.303 1.00 0.00 H new ATOM 0 HH21 ARG A 860 9.099 16.209 2.937 1.00 0.00 H new ATOM 0 HH22 ARG A 860 10.422 17.229 3.511 1.00 0.00 H new ATOM 172 N ASP A 861 6.017 15.398 -2.636 1.00 0.00 N ATOM 173 CA ASP A 861 4.948 16.310 -3.048 1.00 0.00 C ATOM 174 C ASP A 861 5.431 17.761 -3.048 1.00 0.00 C ATOM 175 O ASP A 861 6.546 18.056 -2.614 1.00 0.00 O ATOM 176 CB ASP A 861 3.774 16.129 -2.059 1.00 0.00 C ATOM 177 CG ASP A 861 2.612 17.086 -2.200 1.00 0.00 C ATOM 178 OD1 ASP A 861 1.832 16.986 -3.168 1.00 0.00 O ATOM 179 OD2 ASP A 861 2.496 17.984 -1.348 1.00 0.00 O ATOM 0 H ASP A 861 5.824 14.950 -1.740 1.00 0.00 H new ATOM 0 HA ASP A 861 4.632 16.079 -4.065 1.00 0.00 H new ATOM 0 HB2 ASP A 861 3.393 15.113 -2.166 1.00 0.00 H new ATOM 0 HB3 ASP A 861 4.166 16.217 -1.046 1.00 0.00 H new ATOM 184 N GLU A 862 4.573 18.640 -3.495 1.00 0.00 N ATOM 185 CA GLU A 862 4.820 20.064 -3.595 1.00 0.00 C ATOM 186 C GLU A 862 5.173 20.657 -2.235 1.00 0.00 C ATOM 187 O GLU A 862 6.050 21.496 -2.134 1.00 0.00 O ATOM 188 CB GLU A 862 3.588 20.751 -4.139 1.00 0.00 C ATOM 189 CG GLU A 862 3.136 20.220 -5.476 1.00 0.00 C ATOM 190 CD GLU A 862 1.852 20.840 -5.915 1.00 0.00 C ATOM 191 OE1 GLU A 862 1.874 21.918 -6.519 1.00 0.00 O ATOM 192 OE2 GLU A 862 0.784 20.261 -5.641 1.00 0.00 O ATOM 0 H GLU A 862 3.641 18.377 -3.815 1.00 0.00 H new ATOM 0 HA GLU A 862 5.664 20.220 -4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 862 2.775 20.641 -3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 862 3.789 21.818 -4.232 1.00 0.00 H new ATOM 0 HG2 GLU A 862 3.906 20.413 -6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 862 3.015 19.138 -5.415 1.00 0.00 H new ATOM 199 N TRP A 863 4.492 20.213 -1.197 1.00 0.00 N ATOM 200 CA TRP A 863 4.797 20.670 0.148 1.00 0.00 C ATOM 201 C TRP A 863 6.005 19.919 0.693 1.00 0.00 C ATOM 202 O TRP A 863 6.759 20.432 1.512 1.00 0.00 O ATOM 203 CB TRP A 863 3.588 20.471 1.062 1.00 0.00 C ATOM 204 CG TRP A 863 3.849 20.858 2.479 1.00 0.00 C ATOM 205 CD1 TRP A 863 4.206 20.032 3.499 1.00 0.00 C ATOM 206 CD2 TRP A 863 3.797 22.172 3.028 1.00 0.00 C ATOM 207 NE1 TRP A 863 4.387 20.758 4.640 1.00 0.00 N ATOM 208 CE2 TRP A 863 4.140 22.070 4.384 1.00 0.00 C ATOM 209 CE3 TRP A 863 3.498 23.418 2.505 1.00 0.00 C ATOM 210 CZ2 TRP A 863 4.190 23.171 5.224 1.00 0.00 C ATOM 211 CZ3 TRP A 863 3.546 24.514 3.336 1.00 0.00 C ATOM 212 CH2 TRP A 863 3.891 24.385 4.683 1.00 0.00 C ATOM 0 H TRP A 863 3.728 19.540 -1.256 1.00 0.00 H new ATOM 0 HA TRP A 863 5.033 21.734 0.114 1.00 0.00 H new ATOM 0 HB2 TRP A 863 2.752 21.058 0.680 1.00 0.00 H new ATOM 0 HB3 TRP A 863 3.284 19.425 1.028 1.00 0.00 H new ATOM 0 HD1 TRP A 863 4.328 18.962 3.418 1.00 0.00 H new ATOM 0 HE1 TRP A 863 4.664 20.376 5.544 1.00 0.00 H new ATOM 0 HE3 TRP A 863 3.232 23.528 1.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 4.455 23.071 6.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 3.313 25.491 2.939 1.00 0.00 H new ATOM 0 HH2 TRP A 863 3.921 25.265 5.308 1.00 0.00 H new ATOM 223 N GLY A 864 6.209 18.737 0.183 1.00 0.00 N ATOM 224 CA GLY A 864 7.256 17.894 0.686 1.00 0.00 C ATOM 225 C GLY A 864 6.691 16.629 1.266 1.00 0.00 C ATOM 226 O GLY A 864 7.417 15.829 1.875 1.00 0.00 O ATOM 0 H GLY A 864 5.664 18.336 -0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 864 7.952 17.652 -0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 864 7.823 18.427 1.449 1.00 0.00 H new ATOM 230 N ASN A 865 5.382 16.445 1.081 1.00 0.00 N ATOM 231 CA ASN A 865 4.687 15.245 1.552 1.00 0.00 C ATOM 232 C ASN A 865 5.215 14.023 0.824 1.00 0.00 C ATOM 233 O ASN A 865 5.812 14.140 -0.255 1.00 0.00 O ATOM 234 CB ASN A 865 3.148 15.311 1.340 1.00 0.00 C ATOM 235 CG ASN A 865 2.451 16.462 2.039 1.00 0.00 C ATOM 236 OD1 ASN A 865 2.097 16.365 3.204 1.00 0.00 O ATOM 237 ND2 ASN A 865 2.168 17.521 1.321 1.00 0.00 N ATOM 0 H ASN A 865 4.779 17.116 0.605 1.00 0.00 H new ATOM 0 HA ASN A 865 4.878 15.181 2.623 1.00 0.00 H new ATOM 0 HB2 ASN A 865 2.947 15.380 0.271 1.00 0.00 H new ATOM 0 HB3 ASN A 865 2.709 14.376 1.687 1.00 0.00 H new ATOM 0 HD21 ASN A 865 1.640 18.290 1.733 1.00 0.00 H new ATOM 0 HD22 ASN A 865 2.476 17.576 0.350 1.00 0.00 H new ATOM 244 N GLN A 866 5.008 12.878 1.387 1.00 0.00 N ATOM 245 CA GLN A 866 5.435 11.651 0.778 1.00 0.00 C ATOM 246 C GLN A 866 4.392 11.170 -0.194 1.00 0.00 C ATOM 247 O GLN A 866 3.236 10.921 0.173 1.00 0.00 O ATOM 248 CB GLN A 866 5.720 10.588 1.830 1.00 0.00 C ATOM 249 CG GLN A 866 6.902 10.927 2.721 1.00 0.00 C ATOM 250 CD GLN A 866 7.055 9.986 3.910 1.00 0.00 C ATOM 251 OE1 GLN A 866 7.549 10.379 4.978 1.00 0.00 O ATOM 252 NE2 GLN A 866 6.651 8.753 3.746 1.00 0.00 N ATOM 0 H GLN A 866 4.537 12.762 2.284 1.00 0.00 H new ATOM 0 HA GLN A 866 6.362 11.839 0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 866 4.834 10.453 2.450 1.00 0.00 H new ATOM 0 HB3 GLN A 866 5.909 9.636 1.333 1.00 0.00 H new ATOM 0 HG2 GLN A 866 7.815 10.900 2.126 1.00 0.00 H new ATOM 0 HG3 GLN A 866 6.790 11.948 3.087 1.00 0.00 H new ATOM 0 HE21 GLN A 866 6.249 8.462 2.855 1.00 0.00 H new ATOM 0 HE22 GLN A 866 6.738 8.082 4.509 1.00 0.00 H new ATOM 261 N ILE A 867 4.779 11.106 -1.420 1.00 0.00 N ATOM 262 CA ILE A 867 3.939 10.589 -2.460 1.00 0.00 C ATOM 263 C ILE A 867 4.204 9.131 -2.568 1.00 0.00 C ATOM 264 O ILE A 867 5.315 8.707 -2.925 1.00 0.00 O ATOM 265 CB ILE A 867 4.203 11.245 -3.832 1.00 0.00 C ATOM 266 CG1 ILE A 867 3.884 12.734 -3.813 1.00 0.00 C ATOM 267 CG2 ILE A 867 3.419 10.545 -4.946 1.00 0.00 C ATOM 268 CD1 ILE A 867 2.428 13.052 -3.546 1.00 0.00 C ATOM 0 H ILE A 867 5.698 11.413 -1.740 1.00 0.00 H new ATOM 0 HA ILE A 867 2.903 10.806 -2.199 1.00 0.00 H new ATOM 0 HB ILE A 867 5.267 11.131 -4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 867 4.496 13.216 -3.050 1.00 0.00 H new ATOM 0 HG13 ILE A 867 4.170 13.168 -4.771 1.00 0.00 H new ATOM 0 HG21 ILE A 867 3.628 11.032 -5.899 1.00 0.00 H new ATOM 0 HG22 ILE A 867 3.719 9.498 -5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 867 2.352 10.606 -4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 867 2.285 14.133 -3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 867 1.809 12.602 -4.322 1.00 0.00 H new ATOM 0 HD13 ILE A 867 2.140 12.651 -2.574 1.00 0.00 H new ATOM 280 N TRP A 868 3.224 8.383 -2.246 1.00 0.00 N ATOM 281 CA TRP A 868 3.331 6.963 -2.279 1.00 0.00 C ATOM 282 C TRP A 868 3.027 6.439 -3.643 1.00 0.00 C ATOM 283 O TRP A 868 2.019 6.815 -4.263 1.00 0.00 O ATOM 284 CB TRP A 868 2.431 6.302 -1.243 1.00 0.00 C ATOM 285 CG TRP A 868 2.871 6.544 0.161 1.00 0.00 C ATOM 286 CD1 TRP A 868 3.961 6.007 0.769 1.00 0.00 C ATOM 287 CD2 TRP A 868 2.226 7.362 1.145 1.00 0.00 C ATOM 288 NE1 TRP A 868 4.047 6.453 2.059 1.00 0.00 N ATOM 289 CE2 TRP A 868 2.996 7.280 2.317 1.00 0.00 C ATOM 290 CE3 TRP A 868 1.079 8.155 1.149 1.00 0.00 C ATOM 291 CZ2 TRP A 868 2.659 7.962 3.478 1.00 0.00 C ATOM 292 CZ3 TRP A 868 0.742 8.831 2.305 1.00 0.00 C ATOM 293 CH2 TRP A 868 1.531 8.729 3.455 1.00 0.00 C ATOM 0 H TRP A 868 2.313 8.732 -1.948 1.00 0.00 H new ATOM 0 HA TRP A 868 4.362 6.712 -2.029 1.00 0.00 H new ATOM 0 HB2 TRP A 868 1.413 6.673 -1.366 1.00 0.00 H new ATOM 0 HB3 TRP A 868 2.404 5.228 -1.428 1.00 0.00 H new ATOM 0 HD1 TRP A 868 4.658 5.327 0.302 1.00 0.00 H new ATOM 0 HE1 TRP A 868 4.781 6.206 2.722 1.00 0.00 H new ATOM 0 HE3 TRP A 868 0.465 8.239 0.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 3.268 7.888 4.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -0.144 9.448 2.321 1.00 0.00 H new ATOM 0 HH2 TRP A 868 1.241 9.269 4.344 1.00 0.00 H new ATOM 304 N ILE A 869 3.918 5.646 -4.138 1.00 0.00 N ATOM 305 CA ILE A 869 3.719 4.966 -5.364 1.00 0.00 C ATOM 306 C ILE A 869 3.324 3.557 -5.043 1.00 0.00 C ATOM 307 O ILE A 869 4.027 2.844 -4.313 1.00 0.00 O ATOM 308 CB ILE A 869 4.966 4.999 -6.282 1.00 0.00 C ATOM 309 CG1 ILE A 869 5.237 6.432 -6.756 1.00 0.00 C ATOM 310 CG2 ILE A 869 4.820 4.045 -7.465 1.00 0.00 C ATOM 311 CD1 ILE A 869 6.353 6.564 -7.763 1.00 0.00 C ATOM 0 H ILE A 869 4.815 5.453 -3.693 1.00 0.00 H new ATOM 0 HA ILE A 869 2.933 5.472 -5.925 1.00 0.00 H new ATOM 0 HB ILE A 869 5.823 4.658 -5.701 1.00 0.00 H new ATOM 0 HG12 ILE A 869 4.323 6.834 -7.193 1.00 0.00 H new ATOM 0 HG13 ILE A 869 5.474 7.048 -5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 869 5.714 4.096 -8.086 1.00 0.00 H new ATOM 0 HG22 ILE A 869 4.691 3.027 -7.098 1.00 0.00 H new ATOM 0 HG23 ILE A 869 3.950 4.330 -8.057 1.00 0.00 H new ATOM 0 HD11 ILE A 869 6.472 7.612 -8.039 1.00 0.00 H new ATOM 0 HD12 ILE A 869 7.282 6.196 -7.327 1.00 0.00 H new ATOM 0 HD13 ILE A 869 6.113 5.979 -8.651 1.00 0.00 H new ATOM 323 N CYS A 870 2.203 3.188 -5.559 1.00 0.00 N ATOM 324 CA CYS A 870 1.611 1.931 -5.329 1.00 0.00 C ATOM 325 C CYS A 870 2.305 0.861 -6.169 1.00 0.00 C ATOM 326 O CYS A 870 2.297 0.931 -7.395 1.00 0.00 O ATOM 327 CB CYS A 870 0.135 2.063 -5.703 1.00 0.00 C ATOM 328 SG CYS A 870 -0.891 0.586 -5.587 1.00 0.00 S ATOM 0 H CYS A 870 1.656 3.786 -6.179 1.00 0.00 H new ATOM 0 HA CYS A 870 1.710 1.628 -4.287 1.00 0.00 H new ATOM 0 HB2 CYS A 870 -0.306 2.829 -5.065 1.00 0.00 H new ATOM 0 HB3 CYS A 870 0.080 2.431 -6.728 1.00 0.00 H new ATOM 0 HG CYS A 870 -1.874 0.673 -6.433 1.00 0.00 H new ATOM 333 N PRO A 871 2.934 -0.126 -5.518 1.00 0.00 N ATOM 334 CA PRO A 871 3.588 -1.260 -6.191 1.00 0.00 C ATOM 335 C PRO A 871 2.644 -2.047 -7.112 1.00 0.00 C ATOM 336 O PRO A 871 3.098 -2.791 -7.992 1.00 0.00 O ATOM 337 CB PRO A 871 4.022 -2.155 -5.031 1.00 0.00 C ATOM 338 CG PRO A 871 4.170 -1.236 -3.881 1.00 0.00 C ATOM 339 CD PRO A 871 3.119 -0.182 -4.058 1.00 0.00 C ATOM 0 HA PRO A 871 4.398 -0.918 -6.835 1.00 0.00 H new ATOM 0 HB2 PRO A 871 3.280 -2.927 -4.828 1.00 0.00 H new ATOM 0 HB3 PRO A 871 4.959 -2.665 -5.254 1.00 0.00 H new ATOM 0 HG2 PRO A 871 4.036 -1.766 -2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.166 -0.794 -3.860 1.00 0.00 H new ATOM 0 HD2 PRO A 871 2.194 -0.447 -3.546 1.00 0.00 H new ATOM 0 HD3 PRO A 871 3.442 0.779 -3.657 1.00 0.00 H new ATOM 347 N GLY A 872 1.346 -1.871 -6.922 1.00 0.00 N ATOM 348 CA GLY A 872 0.370 -2.592 -7.701 1.00 0.00 C ATOM 349 C GLY A 872 0.216 -2.057 -9.117 1.00 0.00 C ATOM 350 O GLY A 872 -0.255 -2.773 -10.002 1.00 0.00 O ATOM 0 H GLY A 872 0.950 -1.232 -6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 872 0.656 -3.643 -7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 872 -0.595 -2.545 -7.195 1.00 0.00 H new ATOM 354 N CYS A 873 0.606 -0.817 -9.341 1.00 0.00 N ATOM 355 CA CYS A 873 0.448 -0.208 -10.648 1.00 0.00 C ATOM 356 C CYS A 873 1.676 0.615 -11.057 1.00 0.00 C ATOM 357 O CYS A 873 1.755 1.088 -12.196 1.00 0.00 O ATOM 358 CB CYS A 873 -0.716 0.727 -10.521 1.00 0.00 C ATOM 359 SG CYS A 873 -0.509 1.840 -9.117 1.00 0.00 S ATOM 0 H CYS A 873 1.033 -0.213 -8.638 1.00 0.00 H new ATOM 0 HA CYS A 873 0.309 -0.984 -11.401 1.00 0.00 H new ATOM 0 HB2 CYS A 873 -0.820 1.309 -11.437 1.00 0.00 H new ATOM 0 HB3 CYS A 873 -1.635 0.153 -10.401 1.00 0.00 H new ATOM 0 HG CYS A 873 -0.689 1.181 -8.011 1.00 0.00 H new ATOM 364 N ASN A 874 2.575 0.825 -10.088 1.00 0.00 N ATOM 365 CA ASN A 874 3.769 1.696 -10.174 1.00 0.00 C ATOM 366 C ASN A 874 3.375 3.143 -10.436 1.00 0.00 C ATOM 367 O ASN A 874 4.170 3.947 -10.928 1.00 0.00 O ATOM 368 CB ASN A 874 4.930 1.210 -11.128 1.00 0.00 C ATOM 369 CG ASN A 874 4.662 1.235 -12.635 1.00 0.00 C ATOM 370 OD1 ASN A 874 4.253 0.229 -13.227 1.00 0.00 O ATOM 371 ND2 ASN A 874 4.891 2.367 -13.262 1.00 0.00 N ATOM 0 H ASN A 874 2.492 0.374 -9.177 1.00 0.00 H new ATOM 0 HA ASN A 874 4.223 1.621 -9.186 1.00 0.00 H new ATOM 0 HB2 ASN A 874 5.807 1.827 -10.932 1.00 0.00 H new ATOM 0 HB3 ASN A 874 5.189 0.189 -10.849 1.00 0.00 H new ATOM 0 HD21 ASN A 874 4.732 2.435 -14.267 1.00 0.00 H new ATOM 0 HD22 ASN A 874 5.228 3.178 -12.743 1.00 0.00 H new ATOM 378 N LYS A 875 2.164 3.488 -10.035 1.00 0.00 N ATOM 379 CA LYS A 875 1.671 4.826 -10.192 1.00 0.00 C ATOM 380 C LYS A 875 1.644 5.541 -8.846 1.00 0.00 C ATOM 381 O LYS A 875 1.339 4.929 -7.804 1.00 0.00 O ATOM 382 CB LYS A 875 0.269 4.819 -10.802 1.00 0.00 C ATOM 383 CG LYS A 875 0.197 4.169 -12.166 1.00 0.00 C ATOM 384 CD LYS A 875 -1.234 4.067 -12.658 1.00 0.00 C ATOM 385 CE LYS A 875 -1.312 3.371 -14.011 1.00 0.00 C ATOM 386 NZ LYS A 875 -0.833 1.971 -13.953 1.00 0.00 N ATOM 0 H LYS A 875 1.505 2.845 -9.595 1.00 0.00 H new ATOM 0 HA LYS A 875 2.342 5.358 -10.866 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -0.408 4.297 -10.126 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -0.087 5.846 -10.881 1.00 0.00 H new ATOM 0 HG2 LYS A 875 0.787 4.747 -12.877 1.00 0.00 H new ATOM 0 HG3 LYS A 875 0.639 3.174 -12.120 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -1.832 3.518 -11.930 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -1.665 5.065 -12.736 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -2.343 3.385 -14.365 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -0.718 3.926 -14.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -0.761 1.589 -14.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 0.102 1.943 -13.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -1.503 1.397 -13.402 1.00 0.00 H new ATOM 400 N PRO A 876 2.014 6.818 -8.840 1.00 0.00 N ATOM 401 CA PRO A 876 1.963 7.663 -7.650 1.00 0.00 C ATOM 402 C PRO A 876 0.540 8.103 -7.311 1.00 0.00 C ATOM 403 O PRO A 876 -0.423 7.812 -8.058 1.00 0.00 O ATOM 404 CB PRO A 876 2.797 8.886 -8.044 1.00 0.00 C ATOM 405 CG PRO A 876 2.690 8.955 -9.526 1.00 0.00 C ATOM 406 CD PRO A 876 2.568 7.539 -10.005 1.00 0.00 C ATOM 0 HA PRO A 876 2.328 7.136 -6.768 1.00 0.00 H new ATOM 0 HB2 PRO A 876 2.414 9.793 -7.577 1.00 0.00 H new ATOM 0 HB3 PRO A 876 3.834 8.777 -7.727 1.00 0.00 H new ATOM 0 HG2 PRO A 876 1.823 9.543 -9.826 1.00 0.00 H new ATOM 0 HG3 PRO A 876 3.567 9.437 -9.957 1.00 0.00 H new ATOM 0 HD2 PRO A 876 1.910 7.465 -10.871 1.00 0.00 H new ATOM 0 HD3 PRO A 876 3.535 7.133 -10.304 1.00 0.00 H new ATOM 414 N ASP A 877 0.404 8.762 -6.171 1.00 0.00 N ATOM 415 CA ASP A 877 -0.858 9.351 -5.747 1.00 0.00 C ATOM 416 C ASP A 877 -1.418 10.296 -6.801 1.00 0.00 C ATOM 417 O ASP A 877 -0.686 11.071 -7.425 1.00 0.00 O ATOM 418 CB ASP A 877 -0.719 10.082 -4.409 1.00 0.00 C ATOM 419 CG ASP A 877 -1.934 10.936 -4.107 1.00 0.00 C ATOM 420 OD1 ASP A 877 -3.066 10.414 -4.099 1.00 0.00 O ATOM 421 OD2 ASP A 877 -1.775 12.156 -3.920 1.00 0.00 O ATOM 0 H ASP A 877 1.168 8.904 -5.511 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.559 8.527 -5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -0.578 9.354 -3.610 1.00 0.00 H new ATOM 0 HB3 ASP A 877 0.171 10.710 -4.429 1.00 0.00 H new ATOM 426 N ASP A 878 -2.702 10.215 -6.989 1.00 0.00 N ATOM 427 CA ASP A 878 -3.413 10.989 -7.993 1.00 0.00 C ATOM 428 C ASP A 878 -4.456 11.878 -7.321 1.00 0.00 C ATOM 429 O ASP A 878 -5.046 12.755 -7.945 1.00 0.00 O ATOM 430 CB ASP A 878 -4.082 10.006 -8.978 1.00 0.00 C ATOM 431 CG ASP A 878 -4.931 10.652 -10.060 1.00 0.00 C ATOM 432 OD1 ASP A 878 -4.379 11.067 -11.114 1.00 0.00 O ATOM 433 OD2 ASP A 878 -6.166 10.714 -9.897 1.00 0.00 O ATOM 0 H ASP A 878 -3.306 9.600 -6.444 1.00 0.00 H new ATOM 0 HA ASP A 878 -2.723 11.635 -8.536 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -3.304 9.410 -9.456 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -4.708 9.317 -8.410 1.00 0.00 H new ATOM 438 N GLY A 879 -4.615 11.703 -6.020 1.00 0.00 N ATOM 439 CA GLY A 879 -5.689 12.374 -5.319 1.00 0.00 C ATOM 440 C GLY A 879 -6.911 11.492 -5.346 1.00 0.00 C ATOM 441 O GLY A 879 -8.051 11.940 -5.191 1.00 0.00 O ATOM 0 H GLY A 879 -4.023 11.111 -5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -5.396 12.582 -4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -5.905 13.333 -5.789 1.00 0.00 H new ATOM 445 N SER A 880 -6.655 10.234 -5.563 1.00 0.00 N ATOM 446 CA SER A 880 -7.662 9.229 -5.665 1.00 0.00 C ATOM 447 C SER A 880 -7.688 8.503 -4.315 1.00 0.00 C ATOM 448 O SER A 880 -6.729 8.641 -3.537 1.00 0.00 O ATOM 449 CB SER A 880 -7.261 8.276 -6.815 1.00 0.00 C ATOM 450 OG SER A 880 -8.339 7.497 -7.306 1.00 0.00 O ATOM 0 H SER A 880 -5.708 9.873 -5.677 1.00 0.00 H new ATOM 0 HA SER A 880 -8.652 9.631 -5.883 1.00 0.00 H new ATOM 0 HB2 SER A 880 -6.845 8.863 -7.634 1.00 0.00 H new ATOM 0 HB3 SER A 880 -6.472 7.610 -6.466 1.00 0.00 H new ATOM 0 HG SER A 880 -8.021 6.919 -8.030 1.00 0.00 H new ATOM 456 N PRO A 881 -8.769 7.779 -3.991 1.00 0.00 N ATOM 457 CA PRO A 881 -8.877 7.039 -2.736 1.00 0.00 C ATOM 458 C PRO A 881 -7.775 5.983 -2.606 1.00 0.00 C ATOM 459 O PRO A 881 -7.688 5.023 -3.404 1.00 0.00 O ATOM 460 CB PRO A 881 -10.258 6.376 -2.815 1.00 0.00 C ATOM 461 CG PRO A 881 -10.998 7.155 -3.844 1.00 0.00 C ATOM 462 CD PRO A 881 -9.969 7.616 -4.817 1.00 0.00 C ATOM 0 HA PRO A 881 -8.764 7.687 -1.867 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -10.177 5.326 -3.097 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -10.768 6.409 -1.852 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -11.752 6.539 -4.334 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -11.519 8.001 -3.395 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -9.813 6.887 -5.612 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -10.258 8.552 -5.294 1.00 0.00 H new ATOM 470 N MET A 882 -6.908 6.194 -1.657 1.00 0.00 N ATOM 471 CA MET A 882 -5.831 5.292 -1.404 1.00 0.00 C ATOM 472 C MET A 882 -6.080 4.584 -0.097 1.00 0.00 C ATOM 473 O MET A 882 -6.817 5.081 0.749 1.00 0.00 O ATOM 474 CB MET A 882 -4.470 6.022 -1.392 1.00 0.00 C ATOM 475 CG MET A 882 -4.132 6.710 -2.709 1.00 0.00 C ATOM 476 SD MET A 882 -2.460 7.408 -2.767 1.00 0.00 S ATOM 477 CE MET A 882 -1.450 5.923 -2.809 1.00 0.00 C ATOM 0 H MET A 882 -6.932 7.003 -1.036 1.00 0.00 H new ATOM 0 HA MET A 882 -5.787 4.559 -2.210 1.00 0.00 H new ATOM 0 HB2 MET A 882 -4.473 6.765 -0.595 1.00 0.00 H new ATOM 0 HB3 MET A 882 -3.685 5.304 -1.155 1.00 0.00 H new ATOM 0 HG2 MET A 882 -4.243 5.992 -3.521 1.00 0.00 H new ATOM 0 HG3 MET A 882 -4.854 7.507 -2.887 1.00 0.00 H new ATOM 0 HE1 MET A 882 -0.814 5.890 -1.924 1.00 0.00 H new ATOM 0 HE2 MET A 882 -2.095 5.045 -2.825 1.00 0.00 H new ATOM 0 HE3 MET A 882 -0.827 5.932 -3.703 1.00 0.00 H new ATOM 487 N ILE A 883 -5.491 3.443 0.069 1.00 0.00 N ATOM 488 CA ILE A 883 -5.682 2.645 1.251 1.00 0.00 C ATOM 489 C ILE A 883 -4.323 2.298 1.866 1.00 0.00 C ATOM 490 O ILE A 883 -3.350 2.101 1.137 1.00 0.00 O ATOM 491 CB ILE A 883 -6.529 1.369 0.933 1.00 0.00 C ATOM 492 CG1 ILE A 883 -6.750 0.531 2.203 1.00 0.00 C ATOM 493 CG2 ILE A 883 -5.910 0.537 -0.214 1.00 0.00 C ATOM 494 CD1 ILE A 883 -7.728 -0.599 2.034 1.00 0.00 C ATOM 0 H ILE A 883 -4.857 3.030 -0.615 1.00 0.00 H new ATOM 0 HA ILE A 883 -6.246 3.220 1.985 1.00 0.00 H new ATOM 0 HB ILE A 883 -7.507 1.697 0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 883 -5.793 0.123 2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 883 -7.103 1.186 3.000 1.00 0.00 H new ATOM 0 HG21 ILE A 883 -6.529 -0.340 -0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 883 -5.857 1.145 -1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 883 -4.906 0.219 0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 883 -7.826 -1.139 2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 883 -8.699 -0.199 1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 883 -7.369 -1.279 1.261 1.00 0.00 H new ATOM 506 N GLY A 884 -4.250 2.279 3.180 1.00 0.00 N ATOM 507 CA GLY A 884 -3.000 2.020 3.851 1.00 0.00 C ATOM 508 C GLY A 884 -2.898 0.591 4.295 1.00 0.00 C ATOM 509 O GLY A 884 -3.916 -0.063 4.553 1.00 0.00 O ATOM 0 H GLY A 884 -5.042 2.440 3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 884 -2.172 2.254 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 884 -2.907 2.678 4.715 1.00 0.00 H new ATOM 513 N CYS A 885 -1.695 0.097 4.390 1.00 0.00 N ATOM 514 CA CYS A 885 -1.478 -1.261 4.792 1.00 0.00 C ATOM 515 C CYS A 885 -1.455 -1.366 6.315 1.00 0.00 C ATOM 516 O CYS A 885 -1.455 -0.356 7.038 1.00 0.00 O ATOM 517 CB CYS A 885 -0.161 -1.785 4.183 1.00 0.00 C ATOM 518 SG CYS A 885 0.263 -3.534 4.524 1.00 0.00 S ATOM 0 H CYS A 885 -0.843 0.622 4.192 1.00 0.00 H new ATOM 0 HA CYS A 885 -2.298 -1.878 4.424 1.00 0.00 H new ATOM 0 HB2 CYS A 885 -0.208 -1.651 3.102 1.00 0.00 H new ATOM 0 HB3 CYS A 885 0.655 -1.160 4.546 1.00 0.00 H new ATOM 0 HG CYS A 885 1.457 -3.786 4.076 1.00 0.00 H new ATOM 523 N ASP A 886 -1.470 -2.570 6.778 1.00 0.00 N ATOM 524 CA ASP A 886 -1.362 -2.872 8.186 1.00 0.00 C ATOM 525 C ASP A 886 0.103 -3.050 8.509 1.00 0.00 C ATOM 526 O ASP A 886 0.584 -2.687 9.584 1.00 0.00 O ATOM 527 CB ASP A 886 -2.080 -4.183 8.483 1.00 0.00 C ATOM 528 CG ASP A 886 -2.113 -4.530 9.953 1.00 0.00 C ATOM 529 OD1 ASP A 886 -1.150 -5.128 10.473 1.00 0.00 O ATOM 530 OD2 ASP A 886 -3.134 -4.242 10.614 1.00 0.00 O ATOM 0 H ASP A 886 -1.559 -3.396 6.186 1.00 0.00 H new ATOM 0 HA ASP A 886 -1.804 -2.070 8.777 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -3.102 -4.122 8.109 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -1.589 -4.989 7.938 1.00 0.00 H new ATOM 535 N ASP A 887 0.818 -3.566 7.537 1.00 0.00 N ATOM 536 CA ASP A 887 2.206 -3.913 7.701 1.00 0.00 C ATOM 537 C ASP A 887 3.101 -2.838 7.095 1.00 0.00 C ATOM 538 O ASP A 887 4.139 -2.488 7.665 1.00 0.00 O ATOM 539 CB ASP A 887 2.463 -5.273 7.049 1.00 0.00 C ATOM 540 CG ASP A 887 3.857 -5.816 7.273 1.00 0.00 C ATOM 541 OD1 ASP A 887 4.795 -5.430 6.537 1.00 0.00 O ATOM 542 OD2 ASP A 887 4.033 -6.699 8.157 1.00 0.00 O ATOM 0 H ASP A 887 0.449 -3.757 6.606 1.00 0.00 H new ATOM 0 HA ASP A 887 2.442 -3.978 8.763 1.00 0.00 H new ATOM 0 HB2 ASP A 887 1.739 -5.991 7.435 1.00 0.00 H new ATOM 0 HB3 ASP A 887 2.286 -5.188 5.977 1.00 0.00 H new ATOM 547 N CYS A 888 2.687 -2.285 5.962 1.00 0.00 N ATOM 548 CA CYS A 888 3.468 -1.252 5.303 1.00 0.00 C ATOM 549 C CYS A 888 3.065 0.121 5.817 1.00 0.00 C ATOM 550 O CYS A 888 1.961 0.309 6.341 1.00 0.00 O ATOM 551 CB CYS A 888 3.263 -1.270 3.766 1.00 0.00 C ATOM 552 SG CYS A 888 3.605 -2.835 2.927 1.00 0.00 S ATOM 0 H CYS A 888 1.821 -2.534 5.485 1.00 0.00 H new ATOM 0 HA CYS A 888 4.515 -1.454 5.527 1.00 0.00 H new ATOM 0 HB2 CYS A 888 2.231 -0.988 3.556 1.00 0.00 H new ATOM 0 HB3 CYS A 888 3.899 -0.501 3.328 1.00 0.00 H new ATOM 0 HG CYS A 888 2.515 -3.278 2.373 1.00 0.00 H new ATOM 557 N ASP A 889 3.950 1.062 5.650 1.00 0.00 N ATOM 558 CA ASP A 889 3.671 2.453 5.966 1.00 0.00 C ATOM 559 C ASP A 889 3.309 3.162 4.669 1.00 0.00 C ATOM 560 O ASP A 889 2.986 4.355 4.653 1.00 0.00 O ATOM 561 CB ASP A 889 4.874 3.148 6.660 1.00 0.00 C ATOM 562 CG ASP A 889 6.078 3.392 5.761 1.00 0.00 C ATOM 563 OD1 ASP A 889 6.764 2.427 5.373 1.00 0.00 O ATOM 564 OD2 ASP A 889 6.393 4.564 5.470 1.00 0.00 O ATOM 0 H ASP A 889 4.890 0.896 5.291 1.00 0.00 H new ATOM 0 HA ASP A 889 2.843 2.503 6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 889 4.540 4.104 7.063 1.00 0.00 H new ATOM 0 HB3 ASP A 889 5.189 2.538 7.507 1.00 0.00 H new ATOM 569 N ASP A 890 3.334 2.388 3.589 1.00 0.00 N ATOM 570 CA ASP A 890 2.997 2.856 2.249 1.00 0.00 C ATOM 571 C ASP A 890 1.505 2.748 2.010 1.00 0.00 C ATOM 572 O ASP A 890 0.802 1.970 2.681 1.00 0.00 O ATOM 573 CB ASP A 890 3.719 2.039 1.158 1.00 0.00 C ATOM 574 CG ASP A 890 5.200 2.311 1.034 1.00 0.00 C ATOM 575 OD1 ASP A 890 5.996 1.759 1.827 1.00 0.00 O ATOM 576 OD2 ASP A 890 5.603 3.023 0.102 1.00 0.00 O ATOM 0 H ASP A 890 3.593 1.402 3.621 1.00 0.00 H new ATOM 0 HA ASP A 890 3.319 3.896 2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 890 3.575 0.978 1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 890 3.245 2.244 0.198 1.00 0.00 H new ATOM 581 N TRP A 891 1.034 3.500 1.053 1.00 0.00 N ATOM 582 CA TRP A 891 -0.364 3.517 0.689 1.00 0.00 C ATOM 583 C TRP A 891 -0.539 3.028 -0.736 1.00 0.00 C ATOM 584 O TRP A 891 0.281 3.317 -1.604 1.00 0.00 O ATOM 585 CB TRP A 891 -0.976 4.921 0.874 1.00 0.00 C ATOM 586 CG TRP A 891 -1.231 5.289 2.312 1.00 0.00 C ATOM 587 CD1 TRP A 891 -0.313 5.409 3.312 1.00 0.00 C ATOM 588 CD2 TRP A 891 -2.499 5.607 2.901 1.00 0.00 C ATOM 589 NE1 TRP A 891 -0.938 5.745 4.489 1.00 0.00 N ATOM 590 CE2 TRP A 891 -2.273 5.877 4.261 1.00 0.00 C ATOM 591 CE3 TRP A 891 -3.800 5.680 2.410 1.00 0.00 C ATOM 592 CZ2 TRP A 891 -3.302 6.213 5.132 1.00 0.00 C ATOM 593 CZ3 TRP A 891 -4.822 6.013 3.275 1.00 0.00 C ATOM 594 CH2 TRP A 891 -4.566 6.275 4.621 1.00 0.00 C ATOM 0 H TRP A 891 1.614 4.127 0.495 1.00 0.00 H new ATOM 0 HA TRP A 891 -0.899 2.841 1.356 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -0.307 5.660 0.433 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -1.915 4.973 0.323 1.00 0.00 H new ATOM 0 HD1 TRP A 891 0.751 5.262 3.196 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -0.475 5.875 5.389 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -4.006 5.479 1.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -3.109 6.418 6.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -5.835 6.072 2.905 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -5.387 6.533 5.274 1.00 0.00 H new ATOM 605 N TYR A 892 -1.595 2.295 -0.958 1.00 0.00 N ATOM 606 CA TYR A 892 -1.911 1.709 -2.250 1.00 0.00 C ATOM 607 C TYR A 892 -3.180 2.337 -2.763 1.00 0.00 C ATOM 608 O TYR A 892 -3.838 3.053 -2.033 1.00 0.00 O ATOM 609 CB TYR A 892 -2.120 0.199 -2.105 1.00 0.00 C ATOM 610 CG TYR A 892 -0.889 -0.566 -1.683 1.00 0.00 C ATOM 611 CD1 TYR A 892 -0.467 -0.579 -0.359 1.00 0.00 C ATOM 612 CD2 TYR A 892 -0.154 -1.280 -2.610 1.00 0.00 C ATOM 613 CE1 TYR A 892 0.647 -1.281 0.021 1.00 0.00 C ATOM 614 CE2 TYR A 892 0.963 -1.986 -2.235 1.00 0.00 C ATOM 615 CZ TYR A 892 1.358 -1.983 -0.924 1.00 0.00 C ATOM 616 OH TYR A 892 2.458 -2.698 -0.549 1.00 0.00 O ATOM 0 H TYR A 892 -2.281 2.078 -0.235 1.00 0.00 H new ATOM 0 HA TYR A 892 -1.089 1.888 -2.944 1.00 0.00 H new ATOM 0 HB2 TYR A 892 -2.910 0.023 -1.375 1.00 0.00 H new ATOM 0 HB3 TYR A 892 -2.471 -0.199 -3.057 1.00 0.00 H new ATOM 0 HD1 TYR A 892 -1.026 -0.027 0.382 1.00 0.00 H new ATOM 0 HD2 TYR A 892 -0.462 -1.283 -3.645 1.00 0.00 H new ATOM 0 HE1 TYR A 892 0.964 -1.283 1.054 1.00 0.00 H new ATOM 0 HE2 TYR A 892 1.527 -2.541 -2.970 1.00 0.00 H new ATOM 0 HH TYR A 892 2.192 -3.401 0.080 1.00 0.00 H new ATOM 626 N HIS A 893 -3.540 2.073 -3.983 1.00 0.00 N ATOM 627 CA HIS A 893 -4.776 2.636 -4.528 1.00 0.00 C ATOM 628 C HIS A 893 -5.863 1.592 -4.452 1.00 0.00 C ATOM 629 O HIS A 893 -5.573 0.396 -4.488 1.00 0.00 O ATOM 630 CB HIS A 893 -4.629 3.074 -5.992 1.00 0.00 C ATOM 631 CG HIS A 893 -3.565 4.081 -6.277 1.00 0.00 C ATOM 632 ND1 HIS A 893 -2.346 3.686 -6.757 1.00 0.00 N ATOM 633 CD2 HIS A 893 -3.596 5.434 -6.192 1.00 0.00 C ATOM 634 CE1 HIS A 893 -1.654 4.813 -6.960 1.00 0.00 C ATOM 635 NE2 HIS A 893 -2.368 5.886 -6.633 1.00 0.00 N ATOM 0 H HIS A 893 -3.015 1.481 -4.627 1.00 0.00 H new ATOM 0 HA HIS A 893 -5.021 3.518 -3.936 1.00 0.00 H new ATOM 0 HB2 HIS A 893 -4.432 2.188 -6.596 1.00 0.00 H new ATOM 0 HB3 HIS A 893 -5.584 3.481 -6.325 1.00 0.00 H new ATOM 0 HD2 HIS A 893 -4.421 6.040 -5.847 1.00 0.00 H new ATOM 0 HE1 HIS A 893 -0.644 4.847 -7.341 1.00 0.00 H new ATOM 0 HE2 HIS A 893 -2.066 6.858 -6.696 1.00 0.00 H new ATOM 643 N TRP A 894 -7.094 2.038 -4.345 1.00 0.00 N ATOM 644 CA TRP A 894 -8.256 1.146 -4.311 1.00 0.00 C ATOM 645 C TRP A 894 -8.351 0.158 -5.506 1.00 0.00 C ATOM 646 O TRP A 894 -8.462 -1.044 -5.279 1.00 0.00 O ATOM 647 CB TRP A 894 -9.556 1.926 -4.145 1.00 0.00 C ATOM 648 CG TRP A 894 -9.845 2.367 -2.748 1.00 0.00 C ATOM 649 CD1 TRP A 894 -9.016 2.325 -1.660 1.00 0.00 C ATOM 650 CD2 TRP A 894 -11.078 2.897 -2.289 1.00 0.00 C ATOM 651 NE1 TRP A 894 -9.678 2.795 -0.552 1.00 0.00 N ATOM 652 CE2 TRP A 894 -10.941 3.158 -0.916 1.00 0.00 C ATOM 653 CE3 TRP A 894 -12.289 3.177 -2.911 1.00 0.00 C ATOM 654 CZ2 TRP A 894 -11.975 3.686 -0.160 1.00 0.00 C ATOM 655 CZ3 TRP A 894 -13.309 3.702 -2.160 1.00 0.00 C ATOM 656 CH2 TRP A 894 -13.147 3.950 -0.800 1.00 0.00 C ATOM 0 H TRP A 894 -7.330 3.028 -4.278 1.00 0.00 H new ATOM 0 HA TRP A 894 -8.101 0.522 -3.431 1.00 0.00 H new ATOM 0 HB2 TRP A 894 -9.521 2.805 -4.789 1.00 0.00 H new ATOM 0 HB3 TRP A 894 -10.382 1.307 -4.494 1.00 0.00 H new ATOM 0 HD1 TRP A 894 -7.994 1.975 -1.671 1.00 0.00 H new ATOM 0 HE1 TRP A 894 -9.289 2.862 0.388 1.00 0.00 H new ATOM 0 HE3 TRP A 894 -12.424 2.985 -3.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 -11.856 3.880 0.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 -14.254 3.927 -2.632 1.00 0.00 H new ATOM 0 HH2 TRP A 894 -13.972 4.362 -0.238 1.00 0.00 H new ATOM 667 N PRO A 895 -8.301 0.615 -6.791 1.00 0.00 N ATOM 668 CA PRO A 895 -8.422 -0.298 -7.946 1.00 0.00 C ATOM 669 C PRO A 895 -7.326 -1.377 -7.977 1.00 0.00 C ATOM 670 O PRO A 895 -7.569 -2.511 -8.389 1.00 0.00 O ATOM 671 CB PRO A 895 -8.290 0.630 -9.163 1.00 0.00 C ATOM 672 CG PRO A 895 -7.645 1.864 -8.632 1.00 0.00 C ATOM 673 CD PRO A 895 -8.157 2.015 -7.239 1.00 0.00 C ATOM 0 HA PRO A 895 -9.360 -0.853 -7.913 1.00 0.00 H new ATOM 0 HB2 PRO A 895 -7.685 0.173 -9.946 1.00 0.00 H new ATOM 0 HB3 PRO A 895 -9.264 0.850 -9.601 1.00 0.00 H new ATOM 0 HG2 PRO A 895 -6.559 1.775 -8.643 1.00 0.00 H new ATOM 0 HG3 PRO A 895 -7.900 2.732 -9.240 1.00 0.00 H new ATOM 0 HD2 PRO A 895 -7.462 2.572 -6.610 1.00 0.00 H new ATOM 0 HD3 PRO A 895 -9.107 2.548 -7.213 1.00 0.00 H new ATOM 681 N CYS A 896 -6.167 -1.047 -7.443 1.00 0.00 N ATOM 682 CA CYS A 896 -5.004 -1.905 -7.481 1.00 0.00 C ATOM 683 C CYS A 896 -5.168 -3.127 -6.580 1.00 0.00 C ATOM 684 O CYS A 896 -4.502 -4.164 -6.752 1.00 0.00 O ATOM 685 CB CYS A 896 -3.856 -1.056 -7.016 1.00 0.00 C ATOM 686 SG CYS A 896 -3.796 0.530 -7.892 1.00 0.00 S ATOM 0 H CYS A 896 -6.006 -0.161 -6.964 1.00 0.00 H new ATOM 0 HA CYS A 896 -4.844 -2.294 -8.486 1.00 0.00 H new ATOM 0 HB2 CYS A 896 -3.947 -0.877 -5.945 1.00 0.00 H new ATOM 0 HB3 CYS A 896 -2.920 -1.593 -7.171 1.00 0.00 H new ATOM 0 HG CYS A 896 -2.578 0.765 -8.281 1.00 0.00 H new ATOM 691 N VAL A 897 -6.049 -3.000 -5.632 1.00 0.00 N ATOM 692 CA VAL A 897 -6.298 -4.043 -4.680 1.00 0.00 C ATOM 693 C VAL A 897 -7.739 -4.538 -4.768 1.00 0.00 C ATOM 694 O VAL A 897 -8.194 -5.326 -3.942 1.00 0.00 O ATOM 695 CB VAL A 897 -5.927 -3.585 -3.251 1.00 0.00 C ATOM 696 CG1 VAL A 897 -4.411 -3.432 -3.147 1.00 0.00 C ATOM 697 CG2 VAL A 897 -6.585 -2.253 -2.940 1.00 0.00 C ATOM 0 H VAL A 897 -6.619 -2.165 -5.496 1.00 0.00 H new ATOM 0 HA VAL A 897 -5.656 -4.889 -4.925 1.00 0.00 H new ATOM 0 HB VAL A 897 -6.276 -4.331 -2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 897 -4.146 -3.109 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 897 -3.933 -4.389 -3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 897 -4.070 -2.689 -3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 897 -6.316 -1.941 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 897 -6.244 -1.503 -3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 897 -7.668 -2.357 -3.011 1.00 0.00 H new ATOM 707 N GLY A 898 -8.430 -4.097 -5.807 1.00 0.00 N ATOM 708 CA GLY A 898 -9.788 -4.522 -6.049 1.00 0.00 C ATOM 709 C GLY A 898 -10.780 -3.937 -5.069 1.00 0.00 C ATOM 710 O GLY A 898 -11.605 -4.658 -4.508 1.00 0.00 O ATOM 0 H GLY A 898 -8.064 -3.441 -6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 898 -10.076 -4.237 -7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 898 -9.836 -5.610 -5.998 1.00 0.00 H new ATOM 714 N ILE A 899 -10.684 -2.654 -4.835 1.00 0.00 N ATOM 715 CA ILE A 899 -11.604 -1.965 -3.957 1.00 0.00 C ATOM 716 C ILE A 899 -12.309 -0.854 -4.727 1.00 0.00 C ATOM 717 O ILE A 899 -11.690 -0.155 -5.542 1.00 0.00 O ATOM 718 CB ILE A 899 -10.873 -1.403 -2.697 1.00 0.00 C ATOM 719 CG1 ILE A 899 -10.293 -2.561 -1.880 1.00 0.00 C ATOM 720 CG2 ILE A 899 -11.798 -0.541 -1.827 1.00 0.00 C ATOM 721 CD1 ILE A 899 -9.590 -2.135 -0.620 1.00 0.00 C ATOM 0 H ILE A 899 -9.968 -2.055 -5.245 1.00 0.00 H new ATOM 0 HA ILE A 899 -12.350 -2.676 -3.602 1.00 0.00 H new ATOM 0 HB ILE A 899 -10.065 -0.756 -3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 899 -11.099 -3.246 -1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 899 -9.592 -3.116 -2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 899 -11.245 -0.173 -0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 899 -12.164 0.304 -2.411 1.00 0.00 H new ATOM 0 HG23 ILE A 899 -12.643 -1.141 -1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 899 -9.209 -3.014 -0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 899 -8.760 -1.474 -0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 899 -10.291 -1.607 0.027 1.00 0.00 H new ATOM 733 N MET A 900 -13.601 -0.741 -4.527 1.00 0.00 N ATOM 734 CA MET A 900 -14.401 0.286 -5.187 1.00 0.00 C ATOM 735 C MET A 900 -15.225 1.068 -4.182 1.00 0.00 C ATOM 736 O MET A 900 -15.884 2.036 -4.540 1.00 0.00 O ATOM 737 CB MET A 900 -15.336 -0.313 -6.252 1.00 0.00 C ATOM 738 CG MET A 900 -14.625 -1.010 -7.395 1.00 0.00 C ATOM 739 SD MET A 900 -15.757 -1.545 -8.695 1.00 0.00 S ATOM 740 CE MET A 900 -14.612 -2.354 -9.812 1.00 0.00 C ATOM 0 H MET A 900 -14.133 -1.351 -3.907 1.00 0.00 H new ATOM 0 HA MET A 900 -13.699 0.959 -5.679 1.00 0.00 H new ATOM 0 HB2 MET A 900 -16.006 -1.025 -5.770 1.00 0.00 H new ATOM 0 HB3 MET A 900 -15.958 0.484 -6.660 1.00 0.00 H new ATOM 0 HG2 MET A 900 -13.882 -0.336 -7.821 1.00 0.00 H new ATOM 0 HG3 MET A 900 -14.086 -1.875 -7.009 1.00 0.00 H new ATOM 0 HE1 MET A 900 -15.156 -2.742 -10.673 1.00 0.00 H new ATOM 0 HE2 MET A 900 -13.864 -1.636 -10.149 1.00 0.00 H new ATOM 0 HE3 MET A 900 -14.118 -3.176 -9.294 1.00 0.00 H new ATOM 750 N ALA A 901 -15.177 0.654 -2.934 1.00 0.00 N ATOM 751 CA ALA A 901 -15.928 1.277 -1.879 1.00 0.00 C ATOM 752 C ALA A 901 -15.258 0.926 -0.609 1.00 0.00 C ATOM 753 O ALA A 901 -14.543 -0.074 -0.582 1.00 0.00 O ATOM 754 CB ALA A 901 -17.361 0.784 -1.858 1.00 0.00 C ATOM 0 H ALA A 901 -14.607 -0.134 -2.626 1.00 0.00 H new ATOM 0 HA ALA A 901 -15.961 2.356 -2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 901 -17.903 1.274 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 901 -17.840 1.017 -2.809 1.00 0.00 H new ATOM 0 HB3 ALA A 901 -17.372 -0.295 -1.701 1.00 0.00 H new ATOM 760 N ALA A 902 -15.464 1.745 0.411 1.00 0.00 N ATOM 761 CA ALA A 902 -14.876 1.575 1.723 1.00 0.00 C ATOM 762 C ALA A 902 -14.943 0.128 2.200 1.00 0.00 C ATOM 763 O ALA A 902 -16.034 -0.424 2.368 1.00 0.00 O ATOM 764 CB ALA A 902 -15.550 2.486 2.725 1.00 0.00 C ATOM 0 H ALA A 902 -16.062 2.568 0.343 1.00 0.00 H new ATOM 0 HA ALA A 902 -13.823 1.844 1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -15.097 2.346 3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -15.428 3.523 2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -16.612 2.246 2.778 1.00 0.00 H new ATOM 770 N PRO A 903 -13.768 -0.509 2.345 1.00 0.00 N ATOM 771 CA PRO A 903 -13.640 -1.903 2.803 1.00 0.00 C ATOM 772 C PRO A 903 -14.301 -2.153 4.205 1.00 0.00 C ATOM 773 O PRO A 903 -14.840 -1.218 4.809 1.00 0.00 O ATOM 774 CB PRO A 903 -12.102 -2.121 2.845 1.00 0.00 C ATOM 775 CG PRO A 903 -11.496 -0.770 2.765 1.00 0.00 C ATOM 776 CD PRO A 903 -12.460 0.078 2.010 1.00 0.00 C ATOM 0 HA PRO A 903 -14.160 -2.601 2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -11.805 -2.628 3.763 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -11.774 -2.746 2.015 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -11.319 -0.364 3.761 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -10.531 -0.806 2.259 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -12.399 1.123 2.314 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -12.268 0.046 0.937 1.00 0.00 H new ATOM 845 N GLN A 908 -7.790 -6.108 9.779 1.00 0.00 N ATOM 846 CA GLN A 908 -6.458 -6.021 9.168 1.00 0.00 C ATOM 847 C GLN A 908 -6.447 -6.299 7.682 1.00 0.00 C ATOM 848 O GLN A 908 -6.915 -7.351 7.200 1.00 0.00 O ATOM 849 CB GLN A 908 -5.450 -6.899 9.861 1.00 0.00 C ATOM 850 CG GLN A 908 -5.349 -6.666 11.352 1.00 0.00 C ATOM 851 CD GLN A 908 -4.174 -7.381 11.954 1.00 0.00 C ATOM 852 OE1 GLN A 908 -4.270 -8.532 12.371 1.00 0.00 O ATOM 853 NE2 GLN A 908 -3.064 -6.727 11.988 1.00 0.00 N ATOM 0 HA GLN A 908 -6.167 -4.979 9.302 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -5.711 -7.942 9.684 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -4.471 -6.734 9.411 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -5.262 -5.597 11.547 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -6.266 -7.004 11.835 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -3.024 -5.772 11.632 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -2.226 -7.164 12.371 1.00 0.00 H new ATOM 862 N TRP A 909 -5.902 -5.373 6.991 1.00 0.00 N ATOM 863 CA TRP A 909 -5.862 -5.384 5.569 1.00 0.00 C ATOM 864 C TRP A 909 -4.430 -5.449 5.121 1.00 0.00 C ATOM 865 O TRP A 909 -3.576 -4.718 5.633 1.00 0.00 O ATOM 866 CB TRP A 909 -6.548 -4.130 5.008 1.00 0.00 C ATOM 867 CG TRP A 909 -6.546 -4.058 3.510 1.00 0.00 C ATOM 868 CD1 TRP A 909 -7.490 -4.554 2.662 1.00 0.00 C ATOM 869 CD2 TRP A 909 -5.542 -3.457 2.684 1.00 0.00 C ATOM 870 NE1 TRP A 909 -7.130 -4.297 1.364 1.00 0.00 N ATOM 871 CE2 TRP A 909 -5.938 -3.625 1.356 1.00 0.00 C ATOM 872 CE3 TRP A 909 -4.346 -2.795 2.948 1.00 0.00 C ATOM 873 CZ2 TRP A 909 -5.186 -3.157 0.299 1.00 0.00 C ATOM 874 CZ3 TRP A 909 -3.594 -2.326 1.894 1.00 0.00 C ATOM 875 CH2 TRP A 909 -4.017 -2.509 0.583 1.00 0.00 C ATOM 0 H TRP A 909 -5.455 -4.556 7.407 1.00 0.00 H new ATOM 0 HA TRP A 909 -6.397 -6.257 5.194 1.00 0.00 H new ATOM 0 HB2 TRP A 909 -7.578 -4.102 5.362 1.00 0.00 H new ATOM 0 HB3 TRP A 909 -6.050 -3.246 5.406 1.00 0.00 H new ATOM 0 HD1 TRP A 909 -8.387 -5.072 2.966 1.00 0.00 H new ATOM 0 HE1 TRP A 909 -7.665 -4.564 0.537 1.00 0.00 H new ATOM 0 HE3 TRP A 909 -4.013 -2.651 3.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 -5.511 -3.298 -0.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 -2.665 -1.810 2.088 1.00 0.00 H new ATOM 0 HH2 TRP A 909 -3.410 -2.132 -0.227 1.00 0.00 H new ATOM 886 N PHE A 910 -4.160 -6.314 4.191 1.00 0.00 N ATOM 887 CA PHE A 910 -2.835 -6.479 3.682 1.00 0.00 C ATOM 888 C PHE A 910 -2.863 -6.370 2.189 1.00 0.00 C ATOM 889 O PHE A 910 -3.822 -6.828 1.536 1.00 0.00 O ATOM 890 CB PHE A 910 -2.249 -7.834 4.110 1.00 0.00 C ATOM 891 CG PHE A 910 -2.230 -8.011 5.595 1.00 0.00 C ATOM 892 CD1 PHE A 910 -1.244 -7.426 6.364 1.00 0.00 C ATOM 893 CD2 PHE A 910 -3.227 -8.731 6.222 1.00 0.00 C ATOM 894 CE1 PHE A 910 -1.249 -7.560 7.734 1.00 0.00 C ATOM 895 CE2 PHE A 910 -3.246 -8.864 7.592 1.00 0.00 C ATOM 896 CZ PHE A 910 -2.255 -8.278 8.349 1.00 0.00 C ATOM 0 H PHE A 910 -4.855 -6.926 3.764 1.00 0.00 H new ATOM 0 HA PHE A 910 -2.197 -5.696 4.092 1.00 0.00 H new ATOM 0 HB2 PHE A 910 -2.833 -8.636 3.660 1.00 0.00 H new ATOM 0 HB3 PHE A 910 -1.234 -7.924 3.724 1.00 0.00 H new ATOM 0 HD1 PHE A 910 -0.460 -6.857 5.886 1.00 0.00 H new ATOM 0 HD2 PHE A 910 -4.002 -9.196 5.630 1.00 0.00 H new ATOM 0 HE1 PHE A 910 -0.469 -7.105 8.326 1.00 0.00 H new ATOM 0 HE2 PHE A 910 -4.034 -9.425 8.071 1.00 0.00 H new ATOM 0 HZ PHE A 910 -2.265 -8.380 9.424 1.00 0.00 H new ATOM 906 N CYS A 911 -1.855 -5.755 1.657 1.00 0.00 N ATOM 907 CA CYS A 911 -1.694 -5.584 0.256 1.00 0.00 C ATOM 908 C CYS A 911 -1.246 -6.902 -0.384 1.00 0.00 C ATOM 909 O CYS A 911 -0.877 -7.849 0.333 1.00 0.00 O ATOM 910 CB CYS A 911 -0.629 -4.506 0.073 1.00 0.00 C ATOM 911 SG CYS A 911 0.893 -4.778 1.042 1.00 0.00 S ATOM 0 H CYS A 911 -1.099 -5.347 2.207 1.00 0.00 H new ATOM 0 HA CYS A 911 -2.629 -5.291 -0.222 1.00 0.00 H new ATOM 0 HB2 CYS A 911 -0.367 -4.447 -0.983 1.00 0.00 H new ATOM 0 HB3 CYS A 911 -1.054 -3.541 0.350 1.00 0.00 H new ATOM 0 HG CYS A 911 0.707 -4.376 2.264 1.00 0.00 H new ATOM 916 N PRO A 912 -1.268 -6.994 -1.731 1.00 0.00 N ATOM 917 CA PRO A 912 -0.747 -8.156 -2.464 1.00 0.00 C ATOM 918 C PRO A 912 0.717 -8.480 -2.065 1.00 0.00 C ATOM 919 O PRO A 912 1.168 -9.628 -2.178 1.00 0.00 O ATOM 920 CB PRO A 912 -0.832 -7.715 -3.942 1.00 0.00 C ATOM 921 CG PRO A 912 -1.098 -6.240 -3.898 1.00 0.00 C ATOM 922 CD PRO A 912 -1.870 -6.018 -2.650 1.00 0.00 C ATOM 0 HA PRO A 912 -1.308 -9.067 -2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 912 0.096 -7.932 -4.472 1.00 0.00 H new ATOM 0 HB3 PRO A 912 -1.629 -8.243 -4.465 1.00 0.00 H new ATOM 0 HG2 PRO A 912 -0.167 -5.673 -3.891 1.00 0.00 H new ATOM 0 HG3 PRO A 912 -1.662 -5.916 -4.772 1.00 0.00 H new ATOM 0 HD2 PRO A 912 -1.766 -4.997 -2.284 1.00 0.00 H new ATOM 0 HD3 PRO A 912 -2.935 -6.198 -2.793 1.00 0.00 H new ATOM 930 N LYS A 913 1.423 -7.459 -1.569 1.00 0.00 N ATOM 931 CA LYS A 913 2.784 -7.594 -1.081 1.00 0.00 C ATOM 932 C LYS A 913 2.795 -8.399 0.229 1.00 0.00 C ATOM 933 O LYS A 913 3.404 -9.464 0.312 1.00 0.00 O ATOM 934 CB LYS A 913 3.395 -6.202 -0.835 1.00 0.00 C ATOM 935 CG LYS A 913 3.624 -5.336 -2.078 1.00 0.00 C ATOM 936 CD LYS A 913 5.069 -5.420 -2.602 1.00 0.00 C ATOM 937 CE LYS A 913 5.458 -6.803 -3.103 1.00 0.00 C ATOM 938 NZ LYS A 913 4.689 -7.202 -4.294 1.00 0.00 N ATOM 0 H LYS A 913 1.055 -6.510 -1.498 1.00 0.00 H new ATOM 0 HA LYS A 913 3.376 -8.119 -1.831 1.00 0.00 H new ATOM 0 HB2 LYS A 913 2.743 -5.657 -0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 913 4.350 -6.332 -0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 913 2.938 -5.648 -2.865 1.00 0.00 H new ATOM 0 HG3 LYS A 913 3.387 -4.299 -1.842 1.00 0.00 H new ATOM 0 HD2 LYS A 913 5.195 -4.701 -3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 913 5.753 -5.126 -1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 913 6.522 -6.816 -3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 913 5.299 -7.533 -2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 5.046 -8.112 -4.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 3.685 -7.299 -4.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 4.793 -6.478 -5.033 1.00 0.00 H new ATOM 952 N CYS A 914 2.081 -7.918 1.240 1.00 0.00 N ATOM 953 CA CYS A 914 2.077 -8.584 2.532 1.00 0.00 C ATOM 954 C CYS A 914 1.297 -9.875 2.543 1.00 0.00 C ATOM 955 O CYS A 914 1.546 -10.747 3.379 1.00 0.00 O ATOM 956 CB CYS A 914 1.650 -7.646 3.625 1.00 0.00 C ATOM 957 SG CYS A 914 2.814 -6.308 3.841 1.00 0.00 S ATOM 0 H CYS A 914 1.504 -7.078 1.190 1.00 0.00 H new ATOM 0 HA CYS A 914 3.108 -8.877 2.731 1.00 0.00 H new ATOM 0 HB2 CYS A 914 0.667 -7.238 3.391 1.00 0.00 H new ATOM 0 HB3 CYS A 914 1.552 -8.198 4.560 1.00 0.00 H new ATOM 0 HG CYS A 914 2.531 -5.348 3.011 1.00 0.00 H new ATOM 962 N ALA A 915 0.398 -10.024 1.605 1.00 0.00 N ATOM 963 CA ALA A 915 -0.320 -11.267 1.458 1.00 0.00 C ATOM 964 C ALA A 915 0.647 -12.373 1.005 1.00 0.00 C ATOM 965 O ALA A 915 0.381 -13.560 1.180 1.00 0.00 O ATOM 966 CB ALA A 915 -1.480 -11.104 0.495 1.00 0.00 C ATOM 0 H ALA A 915 0.144 -9.302 0.931 1.00 0.00 H new ATOM 0 HA ALA A 915 -0.741 -11.557 2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 915 -2.008 -12.052 0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 915 -2.164 -10.345 0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 915 -1.103 -10.798 -0.481 1.00 0.00 H new ATOM 972 N ASN A 916 1.778 -11.968 0.443 1.00 0.00 N ATOM 973 CA ASN A 916 2.825 -12.898 0.053 1.00 0.00 C ATOM 974 C ASN A 916 3.678 -13.232 1.278 1.00 0.00 C ATOM 975 O ASN A 916 4.146 -14.359 1.435 1.00 0.00 O ATOM 976 CB ASN A 916 3.705 -12.301 -1.059 1.00 0.00 C ATOM 977 CG ASN A 916 4.783 -13.259 -1.580 1.00 0.00 C ATOM 978 OD1 ASN A 916 5.867 -12.837 -1.981 1.00 0.00 O ATOM 979 ND2 ASN A 916 4.486 -14.523 -1.635 1.00 0.00 N ATOM 0 H ASN A 916 1.993 -10.991 0.246 1.00 0.00 H new ATOM 0 HA ASN A 916 2.365 -13.807 -0.336 1.00 0.00 H new ATOM 0 HB2 ASN A 916 3.068 -12.000 -1.891 1.00 0.00 H new ATOM 0 HB3 ASN A 916 4.186 -11.398 -0.683 1.00 0.00 H new ATOM 0 HD21 ASN A 916 5.158 -15.189 -2.017 1.00 0.00 H new ATOM 0 HD22 ASN A 916 3.581 -14.849 -1.296 1.00 0.00 H new ATOM 986 N LYS A 917 3.862 -12.248 2.157 1.00 0.00 N ATOM 987 CA LYS A 917 4.600 -12.469 3.389 1.00 0.00 C ATOM 988 C LYS A 917 3.831 -13.408 4.311 1.00 0.00 C ATOM 989 O LYS A 917 4.411 -14.315 4.895 1.00 0.00 O ATOM 990 CB LYS A 917 4.942 -11.163 4.116 1.00 0.00 C ATOM 991 CG LYS A 917 5.730 -10.171 3.273 1.00 0.00 C ATOM 992 CD LYS A 917 6.726 -9.387 4.120 1.00 0.00 C ATOM 993 CE LYS A 917 6.089 -8.554 5.243 1.00 0.00 C ATOM 994 NZ LYS A 917 5.374 -7.361 4.748 1.00 0.00 N ATOM 0 H LYS A 917 3.511 -11.298 2.036 1.00 0.00 H new ATOM 0 HA LYS A 917 5.546 -12.934 3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 917 4.017 -10.690 4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 917 5.516 -11.398 5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 917 6.261 -10.703 2.484 1.00 0.00 H new ATOM 0 HG3 LYS A 917 5.043 -9.480 2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 917 7.437 -10.085 4.561 1.00 0.00 H new ATOM 0 HD3 LYS A 917 7.294 -8.722 3.469 1.00 0.00 H new ATOM 0 HE2 LYS A 917 5.394 -9.181 5.802 1.00 0.00 H new ATOM 0 HE3 LYS A 917 6.866 -8.241 5.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 5.382 -6.623 5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 5.845 -7.004 3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 4.391 -7.614 4.522 1.00 0.00 H new ATOM 1008 N ILE A 918 2.523 -13.193 4.419 1.00 0.00 N ATOM 1009 CA ILE A 918 1.653 -14.082 5.195 1.00 0.00 C ATOM 1010 C ILE A 918 1.603 -15.440 4.507 1.00 0.00 C ATOM 1011 O ILE A 918 1.574 -16.489 5.170 1.00 0.00 O ATOM 1012 CB ILE A 918 0.217 -13.502 5.335 1.00 0.00 C ATOM 1013 CG1 ILE A 918 0.272 -12.150 6.050 1.00 0.00 C ATOM 1014 CG2 ILE A 918 -0.700 -14.471 6.095 1.00 0.00 C ATOM 1015 CD1 ILE A 918 -1.067 -11.476 6.186 1.00 0.00 C ATOM 0 H ILE A 918 2.038 -12.411 3.979 1.00 0.00 H new ATOM 0 HA ILE A 918 2.062 -14.181 6.200 1.00 0.00 H new ATOM 0 HB ILE A 918 -0.198 -13.364 4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 918 0.698 -12.292 7.043 1.00 0.00 H new ATOM 0 HG13 ILE A 918 0.946 -11.489 5.505 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -1.697 -14.039 6.178 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -0.758 -15.416 5.555 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -0.297 -14.647 7.092 1.00 0.00 H new ATOM 0 HD11 ILE A 918 -0.944 -10.524 6.703 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -1.488 -11.300 5.196 1.00 0.00 H new ATOM 0 HD13 ILE A 918 -1.740 -12.115 6.758 1.00 0.00 H new