USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=15 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 -160:sc= 0.612 USER MOD Set 1.2: A 873 CYS SG : rot -72:sc= -1.34! USER MOD Set 1.3: A 882 MET CE :methyl 161:sc= -0.262 (180deg=-0.635) USER MOD Set 1.4: A 893 HIS : no HE2:sc= -2.41 K(o=-6.1,f=-9.7!) USER MOD Set 1.5: A 896 CYS SG : rot -139:sc= -2.72! USER MOD Set 2.1: A 885 CYS SG : rot -174:sc= 1.66 USER MOD Set 2.2: A 888 CYS SG : rot 180:sc= 0.25 USER MOD Set 2.3: A 892 TYR OH : rot 67:sc= 0.726 USER MOD Set 2.4: A 911 CYS SG : rot -133:sc= 1.97 USER MOD Set 2.5: A 914 CYS SG : rot 95:sc= 0.055 USER MOD Set 2.6: A 917 LYS NZ :NH3+ -142:sc= 1.98 (180deg=1.06) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -0.423 K(o=-0.42,f=-1.5!) USER MOD Single : A 866 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 874 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.048) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 880 SER OG : rot 127:sc= 1.07 USER MOD Single : A 900 MET CE :methyl -167:sc= -0.0469 (180deg=-0.338) USER MOD Single : A 908 GLN : amide:sc= -0.47 X(o=-0.47,f=0) USER MOD Single : A 913 LYS NZ :NH3+ 161:sc= -0.0792 (180deg=-0.454) USER MOD Single : A 916 ASN : amide:sc= -0.377 X(o=-0.38,f=0) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 857 8.661 7.739 -2.257 1.00 0.00 N ATOM 93 CA TYR A 857 7.439 7.007 -2.489 1.00 0.00 C ATOM 94 C TYR A 857 6.310 7.750 -1.824 1.00 0.00 C ATOM 95 O TYR A 857 5.142 7.339 -1.845 1.00 0.00 O ATOM 96 CB TYR A 857 7.621 5.570 -1.975 1.00 0.00 C ATOM 97 CG TYR A 857 8.844 4.942 -2.622 1.00 0.00 C ATOM 98 CD1 TYR A 857 8.748 4.263 -3.824 1.00 0.00 C ATOM 99 CD2 TYR A 857 10.110 5.116 -2.067 1.00 0.00 C ATOM 100 CE1 TYR A 857 9.870 3.781 -4.454 1.00 0.00 C ATOM 101 CE2 TYR A 857 11.229 4.631 -2.679 1.00 0.00 C ATOM 102 CZ TYR A 857 11.110 3.967 -3.879 1.00 0.00 C ATOM 103 OH TYR A 857 12.232 3.510 -4.524 1.00 0.00 O ATOM 0 HA TYR A 857 7.195 6.933 -3.549 1.00 0.00 H new ATOM 0 HB2 TYR A 857 7.733 5.574 -0.891 1.00 0.00 H new ATOM 0 HB3 TYR A 857 6.734 4.978 -2.202 1.00 0.00 H new ATOM 0 HD1 TYR A 857 7.778 4.110 -4.273 1.00 0.00 H new ATOM 0 HD2 TYR A 857 10.208 5.647 -1.131 1.00 0.00 H new ATOM 0 HE1 TYR A 857 9.781 3.259 -5.395 1.00 0.00 H new ATOM 0 HE2 TYR A 857 12.200 4.767 -2.226 1.00 0.00 H new ATOM 0 HH TYR A 857 13.026 3.720 -3.989 1.00 0.00 H new ATOM 113 N VAL A 858 6.712 8.850 -1.220 1.00 0.00 N ATOM 114 CA VAL A 858 5.856 9.838 -0.638 1.00 0.00 C ATOM 115 C VAL A 858 6.347 11.167 -1.177 1.00 0.00 C ATOM 116 O VAL A 858 7.389 11.684 -0.752 1.00 0.00 O ATOM 117 CB VAL A 858 5.924 9.880 0.911 1.00 0.00 C ATOM 118 CG1 VAL A 858 4.913 10.878 1.460 1.00 0.00 C ATOM 119 CG2 VAL A 858 5.687 8.515 1.503 1.00 0.00 C ATOM 0 H VAL A 858 7.700 9.082 -1.122 1.00 0.00 H new ATOM 0 HA VAL A 858 4.821 9.609 -0.891 1.00 0.00 H new ATOM 0 HB VAL A 858 6.926 10.202 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 858 4.973 10.896 2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 858 5.133 11.871 1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 858 3.909 10.582 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 858 5.741 8.576 2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 858 4.701 8.157 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 858 6.448 7.824 1.140 1.00 0.00 H new ATOM 129 N ILE A 859 5.662 11.661 -2.136 1.00 0.00 N ATOM 130 CA ILE A 859 6.026 12.883 -2.801 1.00 0.00 C ATOM 131 C ILE A 859 5.106 13.987 -2.296 1.00 0.00 C ATOM 132 O ILE A 859 4.008 13.706 -1.819 1.00 0.00 O ATOM 133 CB ILE A 859 5.875 12.732 -4.354 1.00 0.00 C ATOM 134 CG1 ILE A 859 6.600 11.466 -4.844 1.00 0.00 C ATOM 135 CG2 ILE A 859 6.435 13.956 -5.069 1.00 0.00 C ATOM 136 CD1 ILE A 859 6.465 11.213 -6.334 1.00 0.00 C ATOM 0 H ILE A 859 4.812 11.230 -2.500 1.00 0.00 H new ATOM 0 HA ILE A 859 7.067 13.125 -2.586 1.00 0.00 H new ATOM 0 HB ILE A 859 4.813 12.645 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 859 7.658 11.546 -4.594 1.00 0.00 H new ATOM 0 HG13 ILE A 859 6.209 10.604 -4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 859 6.321 13.832 -6.146 1.00 0.00 H new ATOM 0 HG22 ILE A 859 5.893 14.845 -4.747 1.00 0.00 H new ATOM 0 HG23 ILE A 859 7.492 14.067 -4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 859 7.004 10.303 -6.599 1.00 0.00 H new ATOM 0 HD12 ILE A 859 5.412 11.099 -6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 859 6.883 12.055 -6.885 1.00 0.00 H new ATOM 148 N ARG A 860 5.547 15.208 -2.346 1.00 0.00 N ATOM 149 CA ARG A 860 4.707 16.298 -1.952 1.00 0.00 C ATOM 150 C ARG A 860 4.158 17.004 -3.161 1.00 0.00 C ATOM 151 O ARG A 860 4.904 17.416 -4.051 1.00 0.00 O ATOM 152 CB ARG A 860 5.429 17.277 -1.042 1.00 0.00 C ATOM 153 CG ARG A 860 5.763 16.716 0.323 1.00 0.00 C ATOM 154 CD ARG A 860 6.472 17.752 1.155 1.00 0.00 C ATOM 155 NE ARG A 860 6.779 17.290 2.508 1.00 0.00 N ATOM 156 CZ ARG A 860 7.500 17.989 3.389 1.00 0.00 C ATOM 157 NH1 ARG A 860 8.012 19.178 3.041 1.00 0.00 N ATOM 158 NH2 ARG A 860 7.723 17.502 4.603 1.00 0.00 N ATOM 0 H ARG A 860 6.482 15.474 -2.655 1.00 0.00 H new ATOM 0 HA ARG A 860 3.878 15.879 -1.381 1.00 0.00 H new ATOM 0 HB2 ARG A 860 6.351 17.597 -1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 860 4.810 18.165 -0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 860 4.850 16.398 0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 860 6.392 15.832 0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 860 7.398 18.038 0.656 1.00 0.00 H new ATOM 0 HD3 ARG A 860 5.853 18.647 1.215 1.00 0.00 H new ATOM 0 HE ARG A 860 6.421 16.379 2.796 1.00 0.00 H new ATOM 0 HH11 ARG A 860 7.851 19.548 2.104 1.00 0.00 H new ATOM 0 HH12 ARG A 860 8.563 19.713 3.713 1.00 0.00 H new ATOM 0 HH21 ARG A 860 7.344 16.592 4.865 1.00 0.00 H new ATOM 0 HH22 ARG A 860 8.274 18.037 5.274 1.00 0.00 H new ATOM 172 N ASP A 861 2.859 17.107 -3.199 1.00 0.00 N ATOM 173 CA ASP A 861 2.133 17.821 -4.250 1.00 0.00 C ATOM 174 C ASP A 861 2.433 19.336 -4.153 1.00 0.00 C ATOM 175 O ASP A 861 3.116 19.789 -3.227 1.00 0.00 O ATOM 176 CB ASP A 861 0.628 17.537 -4.058 1.00 0.00 C ATOM 177 CG ASP A 861 -0.302 18.250 -4.999 1.00 0.00 C ATOM 178 OD1 ASP A 861 -0.561 17.763 -6.089 1.00 0.00 O ATOM 179 OD2 ASP A 861 -0.779 19.332 -4.639 1.00 0.00 O ATOM 0 H ASP A 861 2.249 16.694 -2.493 1.00 0.00 H new ATOM 0 HA ASP A 861 2.444 17.485 -5.239 1.00 0.00 H new ATOM 0 HB2 ASP A 861 0.465 16.464 -4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 861 0.355 17.804 -3.037 1.00 0.00 H new ATOM 184 N GLU A 862 1.901 20.102 -5.059 1.00 0.00 N ATOM 185 CA GLU A 862 2.106 21.541 -5.096 1.00 0.00 C ATOM 186 C GLU A 862 1.327 22.213 -3.979 1.00 0.00 C ATOM 187 O GLU A 862 1.680 23.294 -3.514 1.00 0.00 O ATOM 188 CB GLU A 862 1.699 22.094 -6.448 1.00 0.00 C ATOM 189 CG GLU A 862 2.475 21.477 -7.587 1.00 0.00 C ATOM 190 CD GLU A 862 3.959 21.733 -7.471 1.00 0.00 C ATOM 191 OE1 GLU A 862 4.662 20.964 -6.766 1.00 0.00 O ATOM 192 OE2 GLU A 862 4.452 22.711 -8.069 1.00 0.00 O ATOM 0 H GLU A 862 1.303 19.752 -5.808 1.00 0.00 H new ATOM 0 HA GLU A 862 3.165 21.751 -4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 862 0.634 21.919 -6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 862 1.849 23.174 -6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 862 2.294 20.402 -7.608 1.00 0.00 H new ATOM 0 HG3 GLU A 862 2.111 21.880 -8.532 1.00 0.00 H new ATOM 199 N TRP A 863 0.277 21.565 -3.542 1.00 0.00 N ATOM 200 CA TRP A 863 -0.474 22.043 -2.399 1.00 0.00 C ATOM 201 C TRP A 863 0.158 21.470 -1.119 1.00 0.00 C ATOM 202 O TRP A 863 -0.096 21.928 0.004 1.00 0.00 O ATOM 203 CB TRP A 863 -1.950 21.637 -2.514 1.00 0.00 C ATOM 204 CG TRP A 863 -2.804 22.255 -1.456 1.00 0.00 C ATOM 205 CD1 TRP A 863 -3.302 21.654 -0.343 1.00 0.00 C ATOM 206 CD2 TRP A 863 -3.225 23.619 -1.401 1.00 0.00 C ATOM 207 NE1 TRP A 863 -4.018 22.559 0.398 1.00 0.00 N ATOM 208 CE2 TRP A 863 -3.984 23.775 -0.233 1.00 0.00 C ATOM 209 CE3 TRP A 863 -3.032 24.723 -2.232 1.00 0.00 C ATOM 210 CZ2 TRP A 863 -4.549 24.992 0.126 1.00 0.00 C ATOM 211 CZ3 TRP A 863 -3.593 25.927 -1.876 1.00 0.00 C ATOM 212 CH2 TRP A 863 -4.342 26.052 -0.706 1.00 0.00 C ATOM 0 H TRP A 863 -0.081 20.705 -3.957 1.00 0.00 H new ATOM 0 HA TRP A 863 -0.438 23.132 -2.363 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -2.327 21.928 -3.495 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -2.030 20.552 -2.451 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -3.155 20.617 -0.081 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -4.498 22.360 1.276 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -2.452 24.634 -3.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -5.130 25.095 1.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -3.452 26.789 -2.512 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -4.768 27.012 -0.453 1.00 0.00 H new ATOM 223 N GLY A 864 1.030 20.501 -1.313 1.00 0.00 N ATOM 224 CA GLY A 864 1.689 19.848 -0.211 1.00 0.00 C ATOM 225 C GLY A 864 0.960 18.604 0.223 1.00 0.00 C ATOM 226 O GLY A 864 1.144 18.126 1.333 1.00 0.00 O ATOM 0 H GLY A 864 1.297 20.150 -2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 864 2.708 19.590 -0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 864 1.761 20.538 0.629 1.00 0.00 H new ATOM 230 N ASN A 865 0.124 18.086 -0.660 1.00 0.00 N ATOM 231 CA ASN A 865 -0.633 16.855 -0.397 1.00 0.00 C ATOM 232 C ASN A 865 0.307 15.675 -0.456 1.00 0.00 C ATOM 233 O ASN A 865 1.321 15.718 -1.183 1.00 0.00 O ATOM 234 CB ASN A 865 -1.746 16.640 -1.450 1.00 0.00 C ATOM 235 CG ASN A 865 -2.722 17.791 -1.571 1.00 0.00 C ATOM 236 OD1 ASN A 865 -2.977 18.519 -0.616 1.00 0.00 O ATOM 237 ND2 ASN A 865 -3.267 17.971 -2.747 1.00 0.00 N ATOM 0 H ASN A 865 -0.055 18.497 -1.576 1.00 0.00 H new ATOM 0 HA ASN A 865 -1.092 16.945 0.588 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -1.282 16.469 -2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -2.299 15.735 -1.197 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -3.926 18.736 -2.892 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -3.032 17.347 -3.519 1.00 0.00 H new ATOM 244 N GLN A 866 -0.002 14.636 0.287 1.00 0.00 N ATOM 245 CA GLN A 866 0.810 13.445 0.283 1.00 0.00 C ATOM 246 C GLN A 866 0.537 12.623 -0.937 1.00 0.00 C ATOM 247 O GLN A 866 -0.552 12.070 -1.114 1.00 0.00 O ATOM 248 CB GLN A 866 0.593 12.604 1.522 1.00 0.00 C ATOM 249 CG GLN A 866 1.044 13.265 2.791 1.00 0.00 C ATOM 250 CD GLN A 866 0.701 12.443 4.015 1.00 0.00 C ATOM 251 OE1 GLN A 866 -0.371 12.587 4.600 1.00 0.00 O ATOM 252 NE2 GLN A 866 1.601 11.579 4.414 1.00 0.00 N ATOM 0 H GLN A 866 -0.814 14.594 0.903 1.00 0.00 H new ATOM 0 HA GLN A 866 1.850 13.771 0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 866 -0.467 12.364 1.605 1.00 0.00 H new ATOM 0 HB3 GLN A 866 1.125 11.660 1.406 1.00 0.00 H new ATOM 0 HG2 GLN A 866 2.122 13.425 2.753 1.00 0.00 H new ATOM 0 HG3 GLN A 866 0.579 14.247 2.873 1.00 0.00 H new ATOM 0 HE21 GLN A 866 2.480 11.486 3.905 1.00 0.00 H new ATOM 0 HE22 GLN A 866 1.423 10.999 5.234 1.00 0.00 H new ATOM 261 N ILE A 867 1.490 12.591 -1.781 1.00 0.00 N ATOM 262 CA ILE A 867 1.427 11.792 -2.956 1.00 0.00 C ATOM 263 C ILE A 867 2.100 10.499 -2.660 1.00 0.00 C ATOM 264 O ILE A 867 3.291 10.455 -2.393 1.00 0.00 O ATOM 265 CB ILE A 867 2.142 12.442 -4.145 1.00 0.00 C ATOM 266 CG1 ILE A 867 1.499 13.768 -4.537 1.00 0.00 C ATOM 267 CG2 ILE A 867 2.206 11.485 -5.339 1.00 0.00 C ATOM 268 CD1 ILE A 867 0.058 13.655 -4.976 1.00 0.00 C ATOM 0 H ILE A 867 2.354 13.124 -1.682 1.00 0.00 H new ATOM 0 HA ILE A 867 0.379 11.665 -3.227 1.00 0.00 H new ATOM 0 HB ILE A 867 3.163 12.659 -3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 867 1.556 14.450 -3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 867 2.079 14.215 -5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 867 2.718 11.972 -6.169 1.00 0.00 H new ATOM 0 HG22 ILE A 867 2.750 10.584 -5.055 1.00 0.00 H new ATOM 0 HG23 ILE A 867 1.195 11.216 -5.645 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -0.322 14.643 -5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -0.007 13.000 -5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -0.538 13.240 -4.164 1.00 0.00 H new ATOM 280 N TRP A 868 1.371 9.478 -2.687 1.00 0.00 N ATOM 281 CA TRP A 868 1.920 8.190 -2.428 1.00 0.00 C ATOM 282 C TRP A 868 2.086 7.436 -3.701 1.00 0.00 C ATOM 283 O TRP A 868 1.310 7.614 -4.643 1.00 0.00 O ATOM 284 CB TRP A 868 1.043 7.406 -1.494 1.00 0.00 C ATOM 285 CG TRP A 868 1.021 7.906 -0.091 1.00 0.00 C ATOM 286 CD1 TRP A 868 2.033 7.826 0.810 1.00 0.00 C ATOM 287 CD2 TRP A 868 -0.080 8.516 0.588 1.00 0.00 C ATOM 288 NE1 TRP A 868 1.643 8.362 2.010 1.00 0.00 N ATOM 289 CE2 TRP A 868 0.343 8.791 1.900 1.00 0.00 C ATOM 290 CE3 TRP A 868 -1.380 8.859 0.211 1.00 0.00 C ATOM 291 CZ2 TRP A 868 -0.490 9.389 2.836 1.00 0.00 C ATOM 292 CZ3 TRP A 868 -2.205 9.455 1.143 1.00 0.00 C ATOM 293 CH2 TRP A 868 -1.757 9.714 2.442 1.00 0.00 C ATOM 0 H TRP A 868 0.371 9.487 -2.888 1.00 0.00 H new ATOM 0 HA TRP A 868 2.893 8.330 -1.957 1.00 0.00 H new ATOM 0 HB2 TRP A 868 0.025 7.412 -1.883 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.377 6.368 -1.490 1.00 0.00 H new ATOM 0 HD1 TRP A 868 3.006 7.401 0.610 1.00 0.00 H new ATOM 0 HE1 TRP A 868 2.223 8.431 2.846 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -1.733 8.662 -0.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 -0.148 9.590 3.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -3.213 9.726 0.865 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -2.427 10.181 3.149 1.00 0.00 H new ATOM 304 N ILE A 869 3.111 6.650 -3.761 1.00 0.00 N ATOM 305 CA ILE A 869 3.320 5.784 -4.871 1.00 0.00 C ATOM 306 C ILE A 869 2.931 4.382 -4.475 1.00 0.00 C ATOM 307 O ILE A 869 3.466 3.825 -3.515 1.00 0.00 O ATOM 308 CB ILE A 869 4.776 5.846 -5.422 1.00 0.00 C ATOM 309 CG1 ILE A 869 5.040 7.256 -5.975 1.00 0.00 C ATOM 310 CG2 ILE A 869 5.007 4.778 -6.500 1.00 0.00 C ATOM 311 CD1 ILE A 869 6.370 7.443 -6.667 1.00 0.00 C ATOM 0 H ILE A 869 3.828 6.591 -3.038 1.00 0.00 H new ATOM 0 HA ILE A 869 2.688 6.120 -5.693 1.00 0.00 H new ATOM 0 HB ILE A 869 5.476 5.639 -4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 869 4.246 7.507 -6.678 1.00 0.00 H new ATOM 0 HG13 ILE A 869 4.974 7.968 -5.153 1.00 0.00 H new ATOM 0 HG21 ILE A 869 6.032 4.846 -6.866 1.00 0.00 H new ATOM 0 HG22 ILE A 869 4.838 3.789 -6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 869 4.315 4.940 -7.327 1.00 0.00 H new ATOM 0 HD11 ILE A 869 6.456 8.471 -7.019 1.00 0.00 H new ATOM 0 HD12 ILE A 869 7.178 7.231 -5.966 1.00 0.00 H new ATOM 0 HD13 ILE A 869 6.438 6.762 -7.515 1.00 0.00 H new ATOM 323 N CYS A 870 1.988 3.858 -5.193 1.00 0.00 N ATOM 324 CA CYS A 870 1.446 2.577 -5.000 1.00 0.00 C ATOM 325 C CYS A 870 2.401 1.564 -5.587 1.00 0.00 C ATOM 326 O CYS A 870 2.695 1.617 -6.773 1.00 0.00 O ATOM 327 CB CYS A 870 0.107 2.558 -5.751 1.00 0.00 C ATOM 328 SG CYS A 870 -0.829 1.009 -5.796 1.00 0.00 S ATOM 0 H CYS A 870 1.559 4.355 -5.974 1.00 0.00 H new ATOM 0 HA CYS A 870 1.295 2.339 -3.947 1.00 0.00 H new ATOM 0 HB2 CYS A 870 -0.533 3.321 -5.308 1.00 0.00 H new ATOM 0 HB3 CYS A 870 0.299 2.861 -6.780 1.00 0.00 H new ATOM 0 HG CYS A 870 -1.677 1.043 -6.781 1.00 0.00 H new ATOM 333 N PRO A 871 2.920 0.648 -4.781 1.00 0.00 N ATOM 334 CA PRO A 871 3.787 -0.418 -5.260 1.00 0.00 C ATOM 335 C PRO A 871 3.024 -1.417 -6.129 1.00 0.00 C ATOM 336 O PRO A 871 3.612 -2.352 -6.670 1.00 0.00 O ATOM 337 CB PRO A 871 4.284 -1.109 -3.984 1.00 0.00 C ATOM 338 CG PRO A 871 3.941 -0.176 -2.884 1.00 0.00 C ATOM 339 CD PRO A 871 2.743 0.596 -3.343 1.00 0.00 C ATOM 0 HA PRO A 871 4.594 -0.029 -5.880 1.00 0.00 H new ATOM 0 HB2 PRO A 871 3.802 -2.077 -3.846 1.00 0.00 H new ATOM 0 HB3 PRO A 871 5.358 -1.291 -4.027 1.00 0.00 H new ATOM 0 HG2 PRO A 871 3.723 -0.721 -1.966 1.00 0.00 H new ATOM 0 HG3 PRO A 871 4.774 0.492 -2.668 1.00 0.00 H new ATOM 0 HD2 PRO A 871 1.813 0.098 -3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 871 2.713 1.593 -2.904 1.00 0.00 H new ATOM 347 N GLY A 872 1.715 -1.233 -6.239 1.00 0.00 N ATOM 348 CA GLY A 872 0.921 -2.081 -7.071 1.00 0.00 C ATOM 349 C GLY A 872 1.183 -1.797 -8.533 1.00 0.00 C ATOM 350 O GLY A 872 1.365 -2.717 -9.332 1.00 0.00 O ATOM 0 H GLY A 872 1.195 -0.500 -5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 872 1.145 -3.125 -6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 872 -0.135 -1.929 -6.850 1.00 0.00 H new ATOM 354 N CYS A 873 1.255 -0.534 -8.874 1.00 0.00 N ATOM 355 CA CYS A 873 1.452 -0.108 -10.242 1.00 0.00 C ATOM 356 C CYS A 873 2.800 0.600 -10.438 1.00 0.00 C ATOM 357 O CYS A 873 3.324 0.650 -11.557 1.00 0.00 O ATOM 358 CB CYS A 873 0.341 0.855 -10.528 1.00 0.00 C ATOM 359 SG CYS A 873 0.174 2.069 -9.196 1.00 0.00 S ATOM 0 H CYS A 873 1.178 0.234 -8.207 1.00 0.00 H new ATOM 0 HA CYS A 873 1.452 -0.970 -10.910 1.00 0.00 H new ATOM 0 HB2 CYS A 873 0.534 1.368 -11.470 1.00 0.00 H new ATOM 0 HB3 CYS A 873 -0.595 0.310 -10.647 1.00 0.00 H new ATOM 0 HG CYS A 873 -0.327 1.493 -8.144 1.00 0.00 H new ATOM 364 N ASN A 874 3.313 1.154 -9.336 1.00 0.00 N ATOM 365 CA ASN A 874 4.533 1.981 -9.273 1.00 0.00 C ATOM 366 C ASN A 874 4.179 3.402 -9.761 1.00 0.00 C ATOM 367 O ASN A 874 5.019 4.188 -10.203 1.00 0.00 O ATOM 368 CB ASN A 874 5.731 1.332 -10.041 1.00 0.00 C ATOM 369 CG ASN A 874 7.083 2.011 -9.791 1.00 0.00 C ATOM 370 OD1 ASN A 874 7.779 1.691 -8.821 1.00 0.00 O ATOM 371 ND2 ASN A 874 7.491 2.885 -10.678 1.00 0.00 N ATOM 0 H ASN A 874 2.875 1.037 -8.422 1.00 0.00 H new ATOM 0 HA ASN A 874 4.885 2.048 -8.243 1.00 0.00 H new ATOM 0 HB2 ASN A 874 5.806 0.283 -9.754 1.00 0.00 H new ATOM 0 HB3 ASN A 874 5.518 1.356 -11.110 1.00 0.00 H new ATOM 0 HD21 ASN A 874 8.407 3.323 -10.579 1.00 0.00 H new ATOM 0 HD22 ASN A 874 6.893 3.128 -11.468 1.00 0.00 H new ATOM 378 N LYS A 875 2.904 3.741 -9.633 1.00 0.00 N ATOM 379 CA LYS A 875 2.414 5.043 -10.023 1.00 0.00 C ATOM 380 C LYS A 875 2.018 5.871 -8.795 1.00 0.00 C ATOM 381 O LYS A 875 1.466 5.338 -7.816 1.00 0.00 O ATOM 382 CB LYS A 875 1.216 4.906 -10.959 1.00 0.00 C ATOM 383 CG LYS A 875 1.520 4.166 -12.255 1.00 0.00 C ATOM 384 CD LYS A 875 0.250 3.827 -13.022 1.00 0.00 C ATOM 385 CE LYS A 875 -0.517 5.061 -13.467 1.00 0.00 C ATOM 386 NZ LYS A 875 -1.803 4.692 -14.100 1.00 0.00 N ATOM 0 H LYS A 875 2.188 3.120 -9.257 1.00 0.00 H new ATOM 0 HA LYS A 875 3.219 5.559 -10.547 1.00 0.00 H new ATOM 0 HB2 LYS A 875 0.416 4.383 -10.434 1.00 0.00 H new ATOM 0 HB3 LYS A 875 0.842 5.901 -11.201 1.00 0.00 H new ATOM 0 HG2 LYS A 875 2.170 4.779 -12.880 1.00 0.00 H new ATOM 0 HG3 LYS A 875 2.065 3.249 -12.031 1.00 0.00 H new ATOM 0 HD2 LYS A 875 0.508 3.230 -13.897 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -0.394 3.211 -12.395 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -0.703 5.706 -12.608 1.00 0.00 H new ATOM 0 HE3 LYS A 875 0.087 5.634 -14.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -2.305 5.554 -14.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -1.622 4.096 -14.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -2.387 4.166 -13.419 1.00 0.00 H new ATOM 400 N PRO A 876 2.341 7.169 -8.814 1.00 0.00 N ATOM 401 CA PRO A 876 1.961 8.103 -7.757 1.00 0.00 C ATOM 402 C PRO A 876 0.462 8.443 -7.788 1.00 0.00 C ATOM 403 O PRO A 876 -0.241 8.138 -8.760 1.00 0.00 O ATOM 404 CB PRO A 876 2.794 9.351 -8.064 1.00 0.00 C ATOM 405 CG PRO A 876 3.071 9.277 -9.522 1.00 0.00 C ATOM 406 CD PRO A 876 3.154 7.821 -9.858 1.00 0.00 C ATOM 0 HA PRO A 876 2.141 7.687 -6.766 1.00 0.00 H new ATOM 0 HB2 PRO A 876 2.250 10.261 -7.811 1.00 0.00 H new ATOM 0 HB3 PRO A 876 3.718 9.361 -7.486 1.00 0.00 H new ATOM 0 HG2 PRO A 876 2.281 9.764 -10.094 1.00 0.00 H new ATOM 0 HG3 PRO A 876 4.003 9.787 -9.768 1.00 0.00 H new ATOM 0 HD2 PRO A 876 2.762 7.618 -10.855 1.00 0.00 H new ATOM 0 HD3 PRO A 876 4.184 7.465 -9.842 1.00 0.00 H new ATOM 414 N ASP A 877 -0.018 9.033 -6.708 1.00 0.00 N ATOM 415 CA ASP A 877 -1.414 9.447 -6.575 1.00 0.00 C ATOM 416 C ASP A 877 -1.818 10.459 -7.627 1.00 0.00 C ATOM 417 O ASP A 877 -1.296 11.583 -7.683 1.00 0.00 O ATOM 418 CB ASP A 877 -1.705 9.988 -5.175 1.00 0.00 C ATOM 419 CG ASP A 877 -3.125 10.512 -5.037 1.00 0.00 C ATOM 420 OD1 ASP A 877 -4.052 9.945 -5.653 1.00 0.00 O ATOM 421 OD2 ASP A 877 -3.343 11.485 -4.281 1.00 0.00 O ATOM 0 H ASP A 877 0.551 9.243 -5.888 1.00 0.00 H new ATOM 0 HA ASP A 877 -2.017 8.552 -6.733 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -1.540 9.198 -4.442 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -1.002 10.788 -4.945 1.00 0.00 H new ATOM 426 N ASP A 878 -2.761 10.060 -8.441 1.00 0.00 N ATOM 427 CA ASP A 878 -3.257 10.884 -9.529 1.00 0.00 C ATOM 428 C ASP A 878 -4.548 11.565 -9.107 1.00 0.00 C ATOM 429 O ASP A 878 -5.198 12.257 -9.899 1.00 0.00 O ATOM 430 CB ASP A 878 -3.492 10.037 -10.804 1.00 0.00 C ATOM 431 CG ASP A 878 -4.661 9.062 -10.707 1.00 0.00 C ATOM 432 OD1 ASP A 878 -4.573 8.064 -9.939 1.00 0.00 O ATOM 433 OD2 ASP A 878 -5.680 9.263 -11.408 1.00 0.00 O ATOM 0 H ASP A 878 -3.214 9.149 -8.373 1.00 0.00 H new ATOM 0 HA ASP A 878 -2.507 11.641 -9.760 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -3.664 10.709 -11.645 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -2.584 9.476 -11.025 1.00 0.00 H new ATOM 438 N GLY A 879 -4.892 11.403 -7.853 1.00 0.00 N ATOM 439 CA GLY A 879 -6.100 11.972 -7.328 1.00 0.00 C ATOM 440 C GLY A 879 -7.123 10.898 -7.132 1.00 0.00 C ATOM 441 O GLY A 879 -8.310 11.091 -7.404 1.00 0.00 O ATOM 0 H GLY A 879 -4.343 10.875 -7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -5.896 12.470 -6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -6.482 12.731 -8.011 1.00 0.00 H new ATOM 445 N SER A 880 -6.666 9.769 -6.660 1.00 0.00 N ATOM 446 CA SER A 880 -7.493 8.617 -6.492 1.00 0.00 C ATOM 447 C SER A 880 -7.434 8.143 -5.032 1.00 0.00 C ATOM 448 O SER A 880 -6.500 8.489 -4.310 1.00 0.00 O ATOM 449 CB SER A 880 -7.001 7.528 -7.443 1.00 0.00 C ATOM 450 OG SER A 880 -7.058 7.973 -8.796 1.00 0.00 O ATOM 0 H SER A 880 -5.696 9.628 -6.379 1.00 0.00 H new ATOM 0 HA SER A 880 -8.531 8.854 -6.724 1.00 0.00 H new ATOM 0 HB2 SER A 880 -5.977 7.253 -7.189 1.00 0.00 H new ATOM 0 HB3 SER A 880 -7.611 6.632 -7.324 1.00 0.00 H new ATOM 0 HG SER A 880 -6.184 7.844 -9.220 1.00 0.00 H new ATOM 456 N PRO A 881 -8.424 7.370 -4.565 1.00 0.00 N ATOM 457 CA PRO A 881 -8.450 6.879 -3.196 1.00 0.00 C ATOM 458 C PRO A 881 -7.366 5.828 -2.974 1.00 0.00 C ATOM 459 O PRO A 881 -7.170 4.914 -3.807 1.00 0.00 O ATOM 460 CB PRO A 881 -9.850 6.261 -3.041 1.00 0.00 C ATOM 461 CG PRO A 881 -10.602 6.656 -4.268 1.00 0.00 C ATOM 462 CD PRO A 881 -9.575 6.884 -5.328 1.00 0.00 C ATOM 0 HA PRO A 881 -8.259 7.668 -2.468 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -9.792 5.176 -2.949 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -10.344 6.631 -2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -11.301 5.875 -4.565 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -11.188 7.558 -4.092 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -9.343 5.967 -5.870 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -9.909 7.614 -6.065 1.00 0.00 H new ATOM 470 N MET A 882 -6.647 5.962 -1.890 1.00 0.00 N ATOM 471 CA MET A 882 -5.567 5.063 -1.585 1.00 0.00 C ATOM 472 C MET A 882 -5.795 4.425 -0.229 1.00 0.00 C ATOM 473 O MET A 882 -6.623 4.893 0.551 1.00 0.00 O ATOM 474 CB MET A 882 -4.205 5.788 -1.627 1.00 0.00 C ATOM 475 CG MET A 882 -3.949 6.520 -2.939 1.00 0.00 C ATOM 476 SD MET A 882 -2.259 7.122 -3.136 1.00 0.00 S ATOM 477 CE MET A 882 -1.369 5.577 -3.316 1.00 0.00 C ATOM 0 H MET A 882 -6.794 6.695 -1.196 1.00 0.00 H new ATOM 0 HA MET A 882 -5.545 4.282 -2.345 1.00 0.00 H new ATOM 0 HB2 MET A 882 -4.157 6.503 -0.805 1.00 0.00 H new ATOM 0 HB3 MET A 882 -3.410 5.061 -1.464 1.00 0.00 H new ATOM 0 HG2 MET A 882 -4.183 5.850 -3.767 1.00 0.00 H new ATOM 0 HG3 MET A 882 -4.634 7.365 -3.010 1.00 0.00 H new ATOM 0 HE1 MET A 882 -0.398 5.768 -3.773 1.00 0.00 H new ATOM 0 HE2 MET A 882 -1.226 5.123 -2.335 1.00 0.00 H new ATOM 0 HE3 MET A 882 -1.941 4.899 -3.949 1.00 0.00 H new ATOM 487 N ILE A 883 -5.102 3.359 0.032 1.00 0.00 N ATOM 488 CA ILE A 883 -5.218 2.634 1.274 1.00 0.00 C ATOM 489 C ILE A 883 -3.835 2.158 1.709 1.00 0.00 C ATOM 490 O ILE A 883 -3.012 1.828 0.871 1.00 0.00 O ATOM 491 CB ILE A 883 -6.202 1.429 1.131 1.00 0.00 C ATOM 492 CG1 ILE A 883 -6.352 0.696 2.478 1.00 0.00 C ATOM 493 CG2 ILE A 883 -5.767 0.482 -0.009 1.00 0.00 C ATOM 494 CD1 ILE A 883 -7.439 -0.345 2.510 1.00 0.00 C ATOM 0 H ILE A 883 -4.427 2.957 -0.618 1.00 0.00 H new ATOM 0 HA ILE A 883 -5.626 3.298 2.037 1.00 0.00 H new ATOM 0 HB ILE A 883 -7.185 1.812 0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 883 -5.403 0.219 2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 883 -6.550 1.432 3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 883 -6.472 -0.346 -0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 883 -5.751 1.030 -0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 883 -4.771 0.093 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 883 -7.471 -0.808 3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 883 -8.399 0.125 2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 883 -7.235 -1.107 1.758 1.00 0.00 H new ATOM 506 N GLY A 884 -3.573 2.169 2.994 1.00 0.00 N ATOM 507 CA GLY A 884 -2.281 1.761 3.489 1.00 0.00 C ATOM 508 C GLY A 884 -2.334 0.397 4.117 1.00 0.00 C ATOM 509 O GLY A 884 -3.384 -0.006 4.623 1.00 0.00 O ATOM 0 H GLY A 884 -4.236 2.455 3.714 1.00 0.00 H new ATOM 0 HA2 GLY A 884 -1.562 1.757 2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 884 -1.926 2.486 4.222 1.00 0.00 H new ATOM 513 N CYS A 885 -1.226 -0.314 4.087 1.00 0.00 N ATOM 514 CA CYS A 885 -1.156 -1.643 4.663 1.00 0.00 C ATOM 515 C CYS A 885 -1.076 -1.562 6.182 1.00 0.00 C ATOM 516 O CYS A 885 -0.555 -0.585 6.746 1.00 0.00 O ATOM 517 CB CYS A 885 0.065 -2.405 4.097 1.00 0.00 C ATOM 518 SG CYS A 885 0.300 -4.114 4.712 1.00 0.00 S ATOM 0 H CYS A 885 -0.354 0.009 3.667 1.00 0.00 H new ATOM 0 HA CYS A 885 -2.062 -2.187 4.396 1.00 0.00 H new ATOM 0 HB2 CYS A 885 -0.025 -2.440 3.011 1.00 0.00 H new ATOM 0 HB3 CYS A 885 0.964 -1.831 4.324 1.00 0.00 H new ATOM 0 HG CYS A 885 1.424 -4.587 4.262 1.00 0.00 H new ATOM 523 N ASP A 886 -1.584 -2.577 6.834 1.00 0.00 N ATOM 524 CA ASP A 886 -1.524 -2.662 8.281 1.00 0.00 C ATOM 525 C ASP A 886 -0.174 -3.209 8.707 1.00 0.00 C ATOM 526 O ASP A 886 0.324 -2.900 9.797 1.00 0.00 O ATOM 527 CB ASP A 886 -2.647 -3.571 8.832 1.00 0.00 C ATOM 528 CG ASP A 886 -2.595 -3.746 10.353 1.00 0.00 C ATOM 529 OD1 ASP A 886 -3.086 -2.857 11.085 1.00 0.00 O ATOM 530 OD2 ASP A 886 -2.059 -4.763 10.845 1.00 0.00 O ATOM 0 H ASP A 886 -2.049 -3.366 6.385 1.00 0.00 H new ATOM 0 HA ASP A 886 -1.661 -1.660 8.687 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -3.614 -3.151 8.555 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -2.577 -4.550 8.358 1.00 0.00 H new ATOM 535 N ASP A 887 0.454 -3.967 7.826 1.00 0.00 N ATOM 536 CA ASP A 887 1.675 -4.657 8.193 1.00 0.00 C ATOM 537 C ASP A 887 2.914 -3.903 7.761 1.00 0.00 C ATOM 538 O ASP A 887 3.880 -3.826 8.521 1.00 0.00 O ATOM 539 CB ASP A 887 1.695 -6.089 7.645 1.00 0.00 C ATOM 540 CG ASP A 887 2.800 -6.938 8.238 1.00 0.00 C ATOM 541 OD1 ASP A 887 2.802 -7.151 9.467 1.00 0.00 O ATOM 542 OD2 ASP A 887 3.634 -7.479 7.488 1.00 0.00 O ATOM 0 H ASP A 887 0.144 -4.119 6.866 1.00 0.00 H new ATOM 0 HA ASP A 887 1.688 -4.706 9.282 1.00 0.00 H new ATOM 0 HB2 ASP A 887 0.734 -6.562 7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 887 1.813 -6.055 6.562 1.00 0.00 H new ATOM 547 N CYS A 888 2.910 -3.316 6.574 1.00 0.00 N ATOM 548 CA CYS A 888 4.119 -2.651 6.145 1.00 0.00 C ATOM 549 C CYS A 888 4.111 -1.140 6.364 1.00 0.00 C ATOM 550 O CYS A 888 4.158 -0.660 7.504 1.00 0.00 O ATOM 551 CB CYS A 888 4.550 -3.020 4.701 1.00 0.00 C ATOM 552 SG CYS A 888 3.420 -2.518 3.356 1.00 0.00 S ATOM 0 H CYS A 888 2.125 -3.287 5.924 1.00 0.00 H new ATOM 0 HA CYS A 888 4.885 -3.047 6.811 1.00 0.00 H new ATOM 0 HB2 CYS A 888 5.525 -2.572 4.512 1.00 0.00 H new ATOM 0 HB3 CYS A 888 4.681 -4.101 4.650 1.00 0.00 H new ATOM 0 HG CYS A 888 3.913 -2.892 2.213 1.00 0.00 H new ATOM 557 N ASP A 889 3.962 -0.412 5.282 1.00 0.00 N ATOM 558 CA ASP A 889 4.121 1.035 5.277 1.00 0.00 C ATOM 559 C ASP A 889 3.425 1.705 4.102 1.00 0.00 C ATOM 560 O ASP A 889 2.775 2.736 4.275 1.00 0.00 O ATOM 561 CB ASP A 889 5.629 1.372 5.242 1.00 0.00 C ATOM 562 CG ASP A 889 5.943 2.812 4.863 1.00 0.00 C ATOM 563 OD1 ASP A 889 5.859 3.711 5.729 1.00 0.00 O ATOM 564 OD2 ASP A 889 6.323 3.059 3.685 1.00 0.00 O ATOM 0 H ASP A 889 3.725 -0.804 4.371 1.00 0.00 H new ATOM 0 HA ASP A 889 3.653 1.419 6.183 1.00 0.00 H new ATOM 0 HB2 ASP A 889 6.058 1.166 6.223 1.00 0.00 H new ATOM 0 HB3 ASP A 889 6.121 0.707 4.532 1.00 0.00 H new ATOM 569 N ASP A 890 3.530 1.110 2.924 1.00 0.00 N ATOM 570 CA ASP A 890 3.065 1.777 1.692 1.00 0.00 C ATOM 571 C ASP A 890 1.570 1.921 1.575 1.00 0.00 C ATOM 572 O ASP A 890 0.781 1.225 2.240 1.00 0.00 O ATOM 573 CB ASP A 890 3.593 1.129 0.408 1.00 0.00 C ATOM 574 CG ASP A 890 5.054 1.357 0.146 1.00 0.00 C ATOM 575 OD1 ASP A 890 5.443 2.471 -0.285 1.00 0.00 O ATOM 576 OD2 ASP A 890 5.850 0.420 0.339 1.00 0.00 O ATOM 0 H ASP A 890 3.925 0.180 2.783 1.00 0.00 H new ATOM 0 HA ASP A 890 3.491 2.775 1.796 1.00 0.00 H new ATOM 0 HB2 ASP A 890 3.410 0.056 0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 890 3.022 1.512 -0.438 1.00 0.00 H new ATOM 581 N TRP A 891 1.202 2.833 0.707 1.00 0.00 N ATOM 582 CA TRP A 891 -0.158 3.108 0.350 1.00 0.00 C ATOM 583 C TRP A 891 -0.367 2.690 -1.080 1.00 0.00 C ATOM 584 O TRP A 891 0.457 2.982 -1.941 1.00 0.00 O ATOM 585 CB TRP A 891 -0.491 4.593 0.508 1.00 0.00 C ATOM 586 CG TRP A 891 -0.571 5.067 1.924 1.00 0.00 C ATOM 587 CD1 TRP A 891 0.458 5.234 2.800 1.00 0.00 C ATOM 588 CD2 TRP A 891 -1.756 5.466 2.619 1.00 0.00 C ATOM 589 NE1 TRP A 891 -0.022 5.693 4.003 1.00 0.00 N ATOM 590 CE2 TRP A 891 -1.375 5.845 3.914 1.00 0.00 C ATOM 591 CE3 TRP A 891 -3.103 5.533 2.269 1.00 0.00 C ATOM 592 CZ2 TRP A 891 -2.292 6.285 4.861 1.00 0.00 C ATOM 593 CZ3 TRP A 891 -4.013 5.969 3.204 1.00 0.00 C ATOM 594 CH2 TRP A 891 -3.605 6.341 4.488 1.00 0.00 C ATOM 0 H TRP A 891 1.872 3.423 0.214 1.00 0.00 H new ATOM 0 HA TRP A 891 -0.817 2.551 1.015 1.00 0.00 H new ATOM 0 HB2 TRP A 891 0.265 5.179 -0.015 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -1.444 4.792 0.018 1.00 0.00 H new ATOM 0 HD1 TRP A 891 1.497 5.035 2.582 1.00 0.00 H new ATOM 0 HE1 TRP A 891 0.543 5.889 4.830 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -3.428 5.247 1.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -1.979 6.572 5.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -5.059 6.025 2.942 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -4.343 6.680 5.200 1.00 0.00 H new ATOM 605 N TYR A 892 -1.437 2.002 -1.313 1.00 0.00 N ATOM 606 CA TYR A 892 -1.776 1.477 -2.611 1.00 0.00 C ATOM 607 C TYR A 892 -3.059 2.109 -3.064 1.00 0.00 C ATOM 608 O TYR A 892 -3.815 2.615 -2.238 1.00 0.00 O ATOM 609 CB TYR A 892 -1.962 -0.048 -2.530 1.00 0.00 C ATOM 610 CG TYR A 892 -0.721 -0.820 -2.129 1.00 0.00 C ATOM 611 CD1 TYR A 892 -0.201 -0.720 -0.846 1.00 0.00 C ATOM 612 CD2 TYR A 892 -0.082 -1.659 -3.029 1.00 0.00 C ATOM 613 CE1 TYR A 892 0.909 -1.416 -0.472 1.00 0.00 C ATOM 614 CE2 TYR A 892 1.039 -2.368 -2.658 1.00 0.00 C ATOM 615 CZ TYR A 892 1.525 -2.241 -1.376 1.00 0.00 C ATOM 616 OH TYR A 892 2.626 -2.949 -0.994 1.00 0.00 O ATOM 0 H TYR A 892 -2.123 1.779 -0.592 1.00 0.00 H new ATOM 0 HA TYR A 892 -0.975 1.699 -3.316 1.00 0.00 H new ATOM 0 HB2 TYR A 892 -2.755 -0.266 -1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 892 -2.300 -0.411 -3.501 1.00 0.00 H new ATOM 0 HD1 TYR A 892 -0.687 -0.076 -0.128 1.00 0.00 H new ATOM 0 HD2 TYR A 892 -0.468 -1.758 -4.033 1.00 0.00 H new ATOM 0 HE1 TYR A 892 1.300 -1.318 0.530 1.00 0.00 H new ATOM 0 HE2 TYR A 892 1.532 -3.017 -3.366 1.00 0.00 H new ATOM 0 HH TYR A 892 2.370 -3.616 -0.323 1.00 0.00 H new ATOM 626 N HIS A 893 -3.315 2.096 -4.336 1.00 0.00 N ATOM 627 CA HIS A 893 -4.553 2.660 -4.855 1.00 0.00 C ATOM 628 C HIS A 893 -5.673 1.652 -4.739 1.00 0.00 C ATOM 629 O HIS A 893 -5.448 0.455 -4.894 1.00 0.00 O ATOM 630 CB HIS A 893 -4.425 3.107 -6.322 1.00 0.00 C ATOM 631 CG HIS A 893 -3.471 4.227 -6.555 1.00 0.00 C ATOM 632 ND1 HIS A 893 -2.255 4.015 -7.149 1.00 0.00 N ATOM 633 CD2 HIS A 893 -3.600 5.539 -6.259 1.00 0.00 C ATOM 634 CE1 HIS A 893 -1.664 5.217 -7.195 1.00 0.00 C ATOM 635 NE2 HIS A 893 -2.444 6.159 -6.664 1.00 0.00 N ATOM 0 H HIS A 893 -2.694 1.705 -5.044 1.00 0.00 H new ATOM 0 HA HIS A 893 -4.775 3.542 -4.254 1.00 0.00 H new ATOM 0 HB2 HIS A 893 -4.112 2.252 -6.921 1.00 0.00 H new ATOM 0 HB3 HIS A 893 -5.409 3.406 -6.683 1.00 0.00 H new ATOM 0 HD1 HIS A 893 -1.879 3.129 -7.486 1.00 0.00 H new ATOM 0 HD2 HIS A 893 -4.452 6.011 -5.792 1.00 0.00 H new ATOM 0 HE1 HIS A 893 -0.683 5.399 -7.609 1.00 0.00 H new ATOM 643 N TRP A 894 -6.875 2.134 -4.466 1.00 0.00 N ATOM 644 CA TRP A 894 -8.063 1.272 -4.384 1.00 0.00 C ATOM 645 C TRP A 894 -8.273 0.395 -5.639 1.00 0.00 C ATOM 646 O TRP A 894 -8.460 -0.816 -5.504 1.00 0.00 O ATOM 647 CB TRP A 894 -9.336 2.064 -4.024 1.00 0.00 C ATOM 648 CG TRP A 894 -9.412 2.480 -2.580 1.00 0.00 C ATOM 649 CD1 TRP A 894 -8.416 2.430 -1.653 1.00 0.00 C ATOM 650 CD2 TRP A 894 -10.558 2.996 -1.896 1.00 0.00 C ATOM 651 NE1 TRP A 894 -8.879 2.883 -0.442 1.00 0.00 N ATOM 652 CE2 TRP A 894 -10.177 3.235 -0.564 1.00 0.00 C ATOM 653 CE3 TRP A 894 -11.865 3.278 -2.277 1.00 0.00 C ATOM 654 CZ2 TRP A 894 -11.050 3.741 0.380 1.00 0.00 C ATOM 655 CZ3 TRP A 894 -12.729 3.781 -1.337 1.00 0.00 C ATOM 656 CH2 TRP A 894 -12.316 4.008 -0.022 1.00 0.00 C ATOM 0 H TRP A 894 -7.063 3.122 -4.295 1.00 0.00 H new ATOM 0 HA TRP A 894 -7.865 0.583 -3.563 1.00 0.00 H new ATOM 0 HB2 TRP A 894 -9.387 2.954 -4.651 1.00 0.00 H new ATOM 0 HB3 TRP A 894 -10.209 1.456 -4.262 1.00 0.00 H new ATOM 0 HD1 TRP A 894 -7.410 2.085 -1.842 1.00 0.00 H new ATOM 0 HE1 TRP A 894 -8.329 2.944 0.415 1.00 0.00 H new ATOM 0 HE3 TRP A 894 -12.193 3.105 -3.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 -10.736 3.917 1.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 -13.747 4.006 -1.619 1.00 0.00 H new ATOM 0 HH2 TRP A 894 -13.023 4.406 0.691 1.00 0.00 H new ATOM 667 N PRO A 895 -8.221 0.959 -6.885 1.00 0.00 N ATOM 668 CA PRO A 895 -8.342 0.154 -8.124 1.00 0.00 C ATOM 669 C PRO A 895 -7.191 -0.855 -8.304 1.00 0.00 C ATOM 670 O PRO A 895 -7.284 -1.783 -9.104 1.00 0.00 O ATOM 671 CB PRO A 895 -8.292 1.206 -9.246 1.00 0.00 C ATOM 672 CG PRO A 895 -7.649 2.392 -8.623 1.00 0.00 C ATOM 673 CD PRO A 895 -8.131 2.402 -7.211 1.00 0.00 C ATOM 0 HA PRO A 895 -9.250 -0.449 -8.113 1.00 0.00 H new ATOM 0 HB2 PRO A 895 -7.718 0.847 -10.100 1.00 0.00 H new ATOM 0 HB3 PRO A 895 -9.291 1.443 -9.611 1.00 0.00 H new ATOM 0 HG2 PRO A 895 -6.562 2.320 -8.668 1.00 0.00 H new ATOM 0 HG3 PRO A 895 -7.929 3.309 -9.141 1.00 0.00 H new ATOM 0 HD2 PRO A 895 -7.438 2.923 -6.551 1.00 0.00 H new ATOM 0 HD3 PRO A 895 -9.096 2.899 -7.117 1.00 0.00 H new ATOM 681 N CYS A 896 -6.128 -0.697 -7.535 1.00 0.00 N ATOM 682 CA CYS A 896 -4.978 -1.554 -7.679 1.00 0.00 C ATOM 683 C CYS A 896 -5.083 -2.784 -6.810 1.00 0.00 C ATOM 684 O CYS A 896 -4.516 -3.837 -7.119 1.00 0.00 O ATOM 685 CB CYS A 896 -3.725 -0.772 -7.351 1.00 0.00 C ATOM 686 SG CYS A 896 -3.430 0.597 -8.486 1.00 0.00 S ATOM 0 H CYS A 896 -6.043 0.015 -6.810 1.00 0.00 H new ATOM 0 HA CYS A 896 -4.933 -1.898 -8.712 1.00 0.00 H new ATOM 0 HB2 CYS A 896 -3.801 -0.384 -6.335 1.00 0.00 H new ATOM 0 HB3 CYS A 896 -2.868 -1.445 -7.372 1.00 0.00 H new ATOM 0 HG CYS A 896 -2.163 0.662 -8.768 1.00 0.00 H new ATOM 691 N VAL A 897 -5.808 -2.654 -5.747 1.00 0.00 N ATOM 692 CA VAL A 897 -5.966 -3.728 -4.805 1.00 0.00 C ATOM 693 C VAL A 897 -7.379 -4.295 -4.839 1.00 0.00 C ATOM 694 O VAL A 897 -7.681 -5.284 -4.161 1.00 0.00 O ATOM 695 CB VAL A 897 -5.580 -3.271 -3.384 1.00 0.00 C ATOM 696 CG1 VAL A 897 -4.086 -3.007 -3.327 1.00 0.00 C ATOM 697 CG2 VAL A 897 -6.323 -1.999 -3.026 1.00 0.00 C ATOM 0 H VAL A 897 -6.311 -1.801 -5.502 1.00 0.00 H new ATOM 0 HA VAL A 897 -5.288 -4.530 -5.096 1.00 0.00 H new ATOM 0 HB VAL A 897 -5.846 -4.055 -2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 897 -3.812 -2.684 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 897 -3.545 -3.921 -3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 897 -3.827 -2.227 -4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 897 -6.043 -1.685 -2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 897 -6.064 -1.214 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 897 -7.397 -2.182 -3.063 1.00 0.00 H new ATOM 707 N GLY A 898 -8.232 -3.666 -5.623 1.00 0.00 N ATOM 708 CA GLY A 898 -9.580 -4.149 -5.788 1.00 0.00 C ATOM 709 C GLY A 898 -10.503 -3.684 -4.692 1.00 0.00 C ATOM 710 O GLY A 898 -11.241 -4.487 -4.100 1.00 0.00 O ATOM 0 H GLY A 898 -8.012 -2.822 -6.152 1.00 0.00 H new ATOM 0 HA2 GLY A 898 -9.967 -3.813 -6.750 1.00 0.00 H new ATOM 0 HA3 GLY A 898 -9.571 -5.239 -5.811 1.00 0.00 H new ATOM 714 N ILE A 899 -10.466 -2.412 -4.401 1.00 0.00 N ATOM 715 CA ILE A 899 -11.309 -1.847 -3.385 1.00 0.00 C ATOM 716 C ILE A 899 -12.337 -0.903 -3.977 1.00 0.00 C ATOM 717 O ILE A 899 -12.002 0.086 -4.646 1.00 0.00 O ATOM 718 CB ILE A 899 -10.488 -1.176 -2.266 1.00 0.00 C ATOM 719 CG1 ILE A 899 -9.739 -2.250 -1.494 1.00 0.00 C ATOM 720 CG2 ILE A 899 -11.360 -0.345 -1.331 1.00 0.00 C ATOM 721 CD1 ILE A 899 -8.959 -1.720 -0.339 1.00 0.00 C ATOM 0 H ILE A 899 -9.852 -1.740 -4.861 1.00 0.00 H new ATOM 0 HA ILE A 899 -11.856 -2.670 -2.924 1.00 0.00 H new ATOM 0 HB ILE A 899 -9.780 -0.485 -2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 899 -10.453 -2.989 -1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 899 -9.061 -2.768 -2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 899 -10.737 0.108 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 899 -11.860 0.439 -1.900 1.00 0.00 H new ATOM 0 HG23 ILE A 899 -12.107 -0.987 -0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 899 -8.451 -2.542 0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 899 -8.221 -1.002 -0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 899 -9.634 -1.228 0.361 1.00 0.00 H new ATOM 733 N MET A 900 -13.579 -1.220 -3.724 1.00 0.00 N ATOM 734 CA MET A 900 -14.694 -0.450 -4.239 1.00 0.00 C ATOM 735 C MET A 900 -15.113 0.602 -3.238 1.00 0.00 C ATOM 736 O MET A 900 -15.554 1.683 -3.613 1.00 0.00 O ATOM 737 CB MET A 900 -15.892 -1.357 -4.559 1.00 0.00 C ATOM 738 CG MET A 900 -15.627 -2.410 -5.628 1.00 0.00 C ATOM 739 SD MET A 900 -15.154 -1.709 -7.230 1.00 0.00 S ATOM 740 CE MET A 900 -16.619 -0.754 -7.650 1.00 0.00 C ATOM 0 H MET A 900 -13.853 -2.020 -3.154 1.00 0.00 H new ATOM 0 HA MET A 900 -14.367 0.034 -5.159 1.00 0.00 H new ATOM 0 HB2 MET A 900 -16.205 -1.859 -3.643 1.00 0.00 H new ATOM 0 HB3 MET A 900 -16.726 -0.734 -4.881 1.00 0.00 H new ATOM 0 HG2 MET A 900 -14.835 -3.075 -5.283 1.00 0.00 H new ATOM 0 HG3 MET A 900 -16.522 -3.019 -5.757 1.00 0.00 H new ATOM 0 HE1 MET A 900 -16.572 -0.458 -8.698 1.00 0.00 H new ATOM 0 HE2 MET A 900 -17.509 -1.361 -7.484 1.00 0.00 H new ATOM 0 HE3 MET A 900 -16.665 0.137 -7.023 1.00 0.00 H new ATOM 750 N ALA A 901 -14.939 0.296 -1.972 1.00 0.00 N ATOM 751 CA ALA A 901 -15.341 1.161 -0.889 1.00 0.00 C ATOM 752 C ALA A 901 -14.545 0.761 0.313 1.00 0.00 C ATOM 753 O ALA A 901 -14.026 -0.360 0.331 1.00 0.00 O ATOM 754 CB ALA A 901 -16.833 1.015 -0.610 1.00 0.00 C ATOM 0 H ALA A 901 -14.507 -0.575 -1.663 1.00 0.00 H new ATOM 0 HA ALA A 901 -15.159 2.205 -1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 901 -17.116 1.675 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 901 -17.398 1.282 -1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 901 -17.053 -0.017 -0.337 1.00 0.00 H new ATOM 760 N ALA A 902 -14.440 1.656 1.282 1.00 0.00 N ATOM 761 CA ALA A 902 -13.661 1.456 2.505 1.00 0.00 C ATOM 762 C ALA A 902 -13.964 0.095 3.155 1.00 0.00 C ATOM 763 O ALA A 902 -15.076 -0.128 3.653 1.00 0.00 O ATOM 764 CB ALA A 902 -13.938 2.586 3.487 1.00 0.00 C ATOM 0 H ALA A 902 -14.903 2.564 1.244 1.00 0.00 H new ATOM 0 HA ALA A 902 -12.605 1.463 2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -13.355 2.430 4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -13.659 3.538 3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -14.999 2.600 3.736 1.00 0.00 H new ATOM 770 N PRO A 903 -12.994 -0.840 3.103 1.00 0.00 N ATOM 771 CA PRO A 903 -13.154 -2.194 3.640 1.00 0.00 C ATOM 772 C PRO A 903 -13.447 -2.195 5.146 1.00 0.00 C ATOM 773 O PRO A 903 -12.978 -1.304 5.876 1.00 0.00 O ATOM 774 CB PRO A 903 -11.802 -2.875 3.353 1.00 0.00 C ATOM 775 CG PRO A 903 -10.855 -1.762 3.076 1.00 0.00 C ATOM 776 CD PRO A 903 -11.673 -0.653 2.489 1.00 0.00 C ATOM 0 HA PRO A 903 -14.001 -2.706 3.184 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -11.472 -3.470 4.205 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -11.875 -3.551 2.501 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -10.358 -1.437 3.990 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -10.074 -2.078 2.384 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -11.254 0.325 2.728 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -11.722 -0.722 1.402 1.00 0.00 H new ATOM 845 N GLN A 908 -8.449 -7.343 8.729 1.00 0.00 N ATOM 846 CA GLN A 908 -7.184 -6.693 8.614 1.00 0.00 C ATOM 847 C GLN A 908 -6.765 -6.730 7.180 1.00 0.00 C ATOM 848 O GLN A 908 -6.823 -7.785 6.513 1.00 0.00 O ATOM 849 CB GLN A 908 -6.118 -7.283 9.502 1.00 0.00 C ATOM 850 CG GLN A 908 -6.356 -7.072 10.989 1.00 0.00 C ATOM 851 CD GLN A 908 -5.207 -7.564 11.862 1.00 0.00 C ATOM 852 OE1 GLN A 908 -4.938 -6.993 12.917 1.00 0.00 O ATOM 853 NE2 GLN A 908 -4.551 -8.625 11.469 1.00 0.00 N ATOM 0 HA GLN A 908 -7.303 -5.665 8.956 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -6.049 -8.353 9.305 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -5.156 -6.846 9.234 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -6.516 -6.010 11.177 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -7.271 -7.589 11.280 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -4.796 -9.079 10.589 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -3.795 -8.999 12.043 1.00 0.00 H new ATOM 862 N TRP A 909 -6.379 -5.617 6.707 1.00 0.00 N ATOM 863 CA TRP A 909 -6.067 -5.453 5.326 1.00 0.00 C ATOM 864 C TRP A 909 -4.580 -5.397 5.136 1.00 0.00 C ATOM 865 O TRP A 909 -3.882 -4.583 5.767 1.00 0.00 O ATOM 866 CB TRP A 909 -6.729 -4.183 4.771 1.00 0.00 C ATOM 867 CG TRP A 909 -6.594 -4.035 3.283 1.00 0.00 C ATOM 868 CD1 TRP A 909 -7.481 -4.467 2.341 1.00 0.00 C ATOM 869 CD2 TRP A 909 -5.511 -3.422 2.564 1.00 0.00 C ATOM 870 NE1 TRP A 909 -7.012 -4.168 1.085 1.00 0.00 N ATOM 871 CE2 TRP A 909 -5.809 -3.521 1.199 1.00 0.00 C ATOM 872 CE3 TRP A 909 -4.323 -2.801 2.946 1.00 0.00 C ATOM 873 CZ2 TRP A 909 -4.965 -3.026 0.222 1.00 0.00 C ATOM 874 CZ3 TRP A 909 -3.486 -2.307 1.971 1.00 0.00 C ATOM 875 CH2 TRP A 909 -3.810 -2.421 0.625 1.00 0.00 C ATOM 0 H TRP A 909 -6.265 -4.772 7.266 1.00 0.00 H new ATOM 0 HA TRP A 909 -6.457 -6.309 4.776 1.00 0.00 H new ATOM 0 HB2 TRP A 909 -7.787 -4.191 5.032 1.00 0.00 H new ATOM 0 HB3 TRP A 909 -6.288 -3.312 5.256 1.00 0.00 H new ATOM 0 HD1 TRP A 909 -8.414 -4.969 2.551 1.00 0.00 H new ATOM 0 HE1 TRP A 909 -7.483 -4.392 0.208 1.00 0.00 H new ATOM 0 HE3 TRP A 909 -4.063 -2.709 3.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 -5.212 -3.115 -0.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 -2.564 -1.824 2.257 1.00 0.00 H new ATOM 0 HH2 TRP A 909 -3.134 -2.023 -0.117 1.00 0.00 H new ATOM 886 N PHE A 910 -4.095 -6.258 4.299 1.00 0.00 N ATOM 887 CA PHE A 910 -2.713 -6.298 3.968 1.00 0.00 C ATOM 888 C PHE A 910 -2.606 -6.189 2.478 1.00 0.00 C ATOM 889 O PHE A 910 -3.473 -6.702 1.749 1.00 0.00 O ATOM 890 CB PHE A 910 -2.065 -7.580 4.500 1.00 0.00 C ATOM 891 CG PHE A 910 -2.241 -7.720 5.987 1.00 0.00 C ATOM 892 CD1 PHE A 910 -1.521 -6.926 6.853 1.00 0.00 C ATOM 893 CD2 PHE A 910 -3.159 -8.604 6.510 1.00 0.00 C ATOM 894 CE1 PHE A 910 -1.706 -7.017 8.218 1.00 0.00 C ATOM 895 CE2 PHE A 910 -3.351 -8.694 7.869 1.00 0.00 C ATOM 896 CZ PHE A 910 -2.623 -7.900 8.725 1.00 0.00 C ATOM 0 H PHE A 910 -4.659 -6.961 3.822 1.00 0.00 H new ATOM 0 HA PHE A 910 -2.177 -5.471 4.434 1.00 0.00 H new ATOM 0 HB2 PHE A 910 -2.503 -8.443 3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 910 -1.002 -7.577 4.259 1.00 0.00 H new ATOM 0 HD1 PHE A 910 -0.802 -6.223 6.459 1.00 0.00 H new ATOM 0 HD2 PHE A 910 -3.734 -9.233 5.846 1.00 0.00 H new ATOM 0 HE1 PHE A 910 -1.129 -6.393 8.885 1.00 0.00 H new ATOM 0 HE2 PHE A 910 -4.075 -9.390 8.265 1.00 0.00 H new ATOM 0 HZ PHE A 910 -2.774 -7.972 9.792 1.00 0.00 H new ATOM 906 N CYS A 911 -1.612 -5.493 2.028 1.00 0.00 N ATOM 907 CA CYS A 911 -1.424 -5.238 0.629 1.00 0.00 C ATOM 908 C CYS A 911 -1.094 -6.519 -0.134 1.00 0.00 C ATOM 909 O CYS A 911 -0.777 -7.526 0.477 1.00 0.00 O ATOM 910 CB CYS A 911 -0.297 -4.234 0.486 1.00 0.00 C ATOM 911 SG CYS A 911 1.319 -4.763 1.119 1.00 0.00 S ATOM 0 H CYS A 911 -0.897 -5.079 2.626 1.00 0.00 H new ATOM 0 HA CYS A 911 -2.347 -4.843 0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 911 -0.189 -3.986 -0.570 1.00 0.00 H new ATOM 0 HB3 CYS A 911 -0.585 -3.317 1.001 1.00 0.00 H new ATOM 0 HG CYS A 911 1.838 -3.810 1.835 1.00 0.00 H new ATOM 916 N PRO A 912 -1.167 -6.501 -1.484 1.00 0.00 N ATOM 917 CA PRO A 912 -0.765 -7.631 -2.331 1.00 0.00 C ATOM 918 C PRO A 912 0.623 -8.171 -1.969 1.00 0.00 C ATOM 919 O PRO A 912 0.901 -9.352 -2.144 1.00 0.00 O ATOM 920 CB PRO A 912 -0.727 -7.020 -3.747 1.00 0.00 C ATOM 921 CG PRO A 912 -0.929 -5.556 -3.560 1.00 0.00 C ATOM 922 CD PRO A 912 -1.712 -5.420 -2.303 1.00 0.00 C ATOM 0 HA PRO A 912 -1.446 -8.475 -2.222 1.00 0.00 H new ATOM 0 HB2 PRO A 912 0.225 -7.224 -4.236 1.00 0.00 H new ATOM 0 HB3 PRO A 912 -1.507 -7.445 -4.378 1.00 0.00 H new ATOM 0 HG2 PRO A 912 0.025 -5.035 -3.486 1.00 0.00 H new ATOM 0 HG3 PRO A 912 -1.465 -5.123 -4.405 1.00 0.00 H new ATOM 0 HD2 PRO A 912 -1.570 -4.445 -1.838 1.00 0.00 H new ATOM 0 HD3 PRO A 912 -2.782 -5.538 -2.474 1.00 0.00 H new ATOM 930 N LYS A 913 1.467 -7.307 -1.421 1.00 0.00 N ATOM 931 CA LYS A 913 2.798 -7.692 -1.064 1.00 0.00 C ATOM 932 C LYS A 913 2.802 -8.393 0.293 1.00 0.00 C ATOM 933 O LYS A 913 3.360 -9.475 0.437 1.00 0.00 O ATOM 934 CB LYS A 913 3.749 -6.487 -1.051 1.00 0.00 C ATOM 935 CG LYS A 913 3.708 -5.635 -2.323 1.00 0.00 C ATOM 936 CD LYS A 913 5.058 -4.993 -2.602 1.00 0.00 C ATOM 937 CE LYS A 913 6.093 -6.028 -3.043 1.00 0.00 C ATOM 938 NZ LYS A 913 5.664 -6.760 -4.272 1.00 0.00 N ATOM 0 H LYS A 913 1.238 -6.334 -1.219 1.00 0.00 H new ATOM 0 HA LYS A 913 3.158 -8.388 -1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 913 3.504 -5.855 -0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 913 4.768 -6.845 -0.901 1.00 0.00 H new ATOM 0 HG2 LYS A 913 3.416 -6.256 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 913 2.949 -4.860 -2.220 1.00 0.00 H new ATOM 0 HD2 LYS A 913 4.948 -4.235 -3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 913 5.411 -4.483 -1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 913 7.045 -5.531 -3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 913 6.259 -6.741 -2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 6.492 -7.203 -4.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 4.974 -7.495 -4.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 5.227 -6.092 -4.939 1.00 0.00 H new ATOM 952 N CYS A 914 2.137 -7.805 1.273 1.00 0.00 N ATOM 953 CA CYS A 914 2.116 -8.384 2.595 1.00 0.00 C ATOM 954 C CYS A 914 1.153 -9.556 2.744 1.00 0.00 C ATOM 955 O CYS A 914 1.434 -10.492 3.487 1.00 0.00 O ATOM 956 CB CYS A 914 1.928 -7.330 3.676 1.00 0.00 C ATOM 957 SG CYS A 914 3.358 -6.226 3.856 1.00 0.00 S ATOM 0 H CYS A 914 1.611 -6.936 1.175 1.00 0.00 H new ATOM 0 HA CYS A 914 3.105 -8.818 2.739 1.00 0.00 H new ATOM 0 HB2 CYS A 914 1.045 -6.735 3.444 1.00 0.00 H new ATOM 0 HB3 CYS A 914 1.738 -7.825 4.628 1.00 0.00 H new ATOM 0 HG CYS A 914 3.168 -5.151 3.150 1.00 0.00 H new ATOM 962 N ALA A 915 0.051 -9.525 2.024 1.00 0.00 N ATOM 963 CA ALA A 915 -0.912 -10.615 2.062 1.00 0.00 C ATOM 964 C ALA A 915 -0.282 -11.859 1.471 1.00 0.00 C ATOM 965 O ALA A 915 -0.535 -12.977 1.915 1.00 0.00 O ATOM 966 CB ALA A 915 -2.172 -10.248 1.302 1.00 0.00 C ATOM 0 H ALA A 915 -0.204 -8.757 1.403 1.00 0.00 H new ATOM 0 HA ALA A 915 -1.191 -10.807 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 915 -2.877 -11.078 1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 915 -2.624 -9.364 1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 915 -1.921 -10.037 0.262 1.00 0.00 H new ATOM 972 N ASN A 916 0.600 -11.644 0.510 1.00 0.00 N ATOM 973 CA ASN A 916 1.328 -12.714 -0.157 1.00 0.00 C ATOM 974 C ASN A 916 2.167 -13.491 0.855 1.00 0.00 C ATOM 975 O ASN A 916 2.254 -14.700 0.787 1.00 0.00 O ATOM 976 CB ASN A 916 2.244 -12.129 -1.238 1.00 0.00 C ATOM 977 CG ASN A 916 3.000 -13.169 -2.062 1.00 0.00 C ATOM 978 OD1 ASN A 916 4.137 -12.933 -2.468 1.00 0.00 O ATOM 979 ND2 ASN A 916 2.377 -14.280 -2.380 1.00 0.00 N ATOM 0 H ASN A 916 0.834 -10.713 0.166 1.00 0.00 H new ATOM 0 HA ASN A 916 0.609 -13.390 -0.619 1.00 0.00 H new ATOM 0 HB2 ASN A 916 1.644 -11.517 -1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 916 2.967 -11.466 -0.763 1.00 0.00 H new ATOM 0 HD21 ASN A 916 2.836 -14.969 -2.976 1.00 0.00 H new ATOM 0 HD22 ASN A 916 1.434 -14.454 -2.031 1.00 0.00 H new ATOM 986 N LYS A 917 2.705 -12.782 1.841 1.00 0.00 N ATOM 987 CA LYS A 917 3.582 -13.370 2.870 1.00 0.00 C ATOM 988 C LYS A 917 2.776 -14.268 3.820 1.00 0.00 C ATOM 989 O LYS A 917 3.339 -15.094 4.542 1.00 0.00 O ATOM 990 CB LYS A 917 4.253 -12.256 3.696 1.00 0.00 C ATOM 991 CG LYS A 917 4.888 -11.152 2.857 1.00 0.00 C ATOM 992 CD LYS A 917 5.513 -10.032 3.702 1.00 0.00 C ATOM 993 CE LYS A 917 4.566 -9.514 4.791 1.00 0.00 C ATOM 994 NZ LYS A 917 4.966 -8.183 5.300 1.00 0.00 N ATOM 0 H LYS A 917 2.550 -11.781 1.957 1.00 0.00 H new ATOM 0 HA LYS A 917 4.341 -13.966 2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 917 3.509 -11.812 4.358 1.00 0.00 H new ATOM 0 HB3 LYS A 917 5.019 -12.701 4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 917 5.656 -11.587 2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 917 4.131 -10.723 2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 917 6.428 -10.400 4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 917 5.797 -9.206 3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 917 3.553 -9.458 4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 917 4.544 -10.224 5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 4.799 -8.139 6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 5.976 -8.027 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 4.405 -7.447 4.826 1.00 0.00 H new ATOM 1008 N ILE A 918 1.474 -14.081 3.817 1.00 0.00 N ATOM 1009 CA ILE A 918 0.563 -14.812 4.681 1.00 0.00 C ATOM 1010 C ILE A 918 -0.045 -15.991 3.914 1.00 0.00 C ATOM 1011 O ILE A 918 -0.359 -17.055 4.486 1.00 0.00 O ATOM 1012 CB ILE A 918 -0.591 -13.878 5.121 1.00 0.00 C ATOM 1013 CG1 ILE A 918 -0.033 -12.579 5.710 1.00 0.00 C ATOM 1014 CG2 ILE A 918 -1.497 -14.577 6.127 1.00 0.00 C ATOM 1015 CD1 ILE A 918 -1.089 -11.533 5.977 1.00 0.00 C ATOM 0 H ILE A 918 1.009 -13.409 3.207 1.00 0.00 H new ATOM 0 HA ILE A 918 1.114 -15.173 5.549 1.00 0.00 H new ATOM 0 HB ILE A 918 -1.186 -13.631 4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 918 0.485 -12.806 6.642 1.00 0.00 H new ATOM 0 HG13 ILE A 918 0.708 -12.168 5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -2.301 -13.903 6.423 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -1.923 -15.472 5.673 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -0.917 -14.857 7.006 1.00 0.00 H new ATOM 0 HD11 ILE A 918 -0.621 -10.641 6.393 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -1.592 -11.277 5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 918 -1.818 -11.925 6.687 1.00 0.00 H new