USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 870 CYS SG : rot -157:sc= -0.283 USER MOD Set 1.2: A 873 CYS SG : rot -79:sc= -2.76! USER MOD Set 1.3: A 882 MET CE :methyl 150:sc= -0.0018 (180deg=-1.4) USER MOD Set 1.4: A 893 HIS : no HE2:sc= -2.12 K(o=-9.8,f=-12!) USER MOD Set 1.5: A 896 CYS SG : rot -128:sc= -4.68! USER MOD Set 2.1: A 885 CYS SG : rot -174:sc= 0.557 USER MOD Set 2.2: A 888 CYS SG : rot -92:sc= -0.954 USER MOD Set 2.3: A 892 TYR OH : rot 78:sc= 1.27 USER MOD Set 2.4: A 911 CYS SG : rot -73:sc= 1.06 USER MOD Set 2.5: A 914 CYS SG : rot 61:sc= 0.751 USER MOD Set 2.6: A 917 LYS NZ :NH3+ 174:sc= 2.05 (180deg=0.744) USER MOD Set 3.1: A 857 TYR OH : rot -153:sc= 1.19 USER MOD Set 3.2: A 874 ASN : amide:sc= 1.07 K(o=2.3,f=-0.83) USER MOD Single : A 865 ASN : amide:sc= -0.149 K(o=-0.15,f=-0.65) USER MOD Single : A 866 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 875 LYS NZ :NH3+ -157:sc= 0.824 (180deg=0.38) USER MOD Single : A 880 SER OG : rot 180:sc= 0 USER MOD Single : A 900 MET CE :methyl -163:sc= -0.11 (180deg=-0.515) USER MOD Single : A 908 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.015) USER MOD Single : A 913 LYS NZ :NH3+ -173:sc= 0.591 (180deg=0.567) USER MOD Single : A 916 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 857 9.699 5.882 -5.678 1.00 0.00 N ATOM 93 CA TYR A 857 8.306 5.571 -5.295 1.00 0.00 C ATOM 94 C TYR A 857 7.836 6.582 -4.259 1.00 0.00 C ATOM 95 O TYR A 857 6.777 6.443 -3.640 1.00 0.00 O ATOM 96 CB TYR A 857 8.136 4.128 -4.749 1.00 0.00 C ATOM 97 CG TYR A 857 8.298 3.018 -5.763 1.00 0.00 C ATOM 98 CD1 TYR A 857 9.551 2.621 -6.214 1.00 0.00 C ATOM 99 CD2 TYR A 857 7.187 2.355 -6.255 1.00 0.00 C ATOM 100 CE1 TYR A 857 9.683 1.598 -7.128 1.00 0.00 C ATOM 101 CE2 TYR A 857 7.312 1.337 -7.165 1.00 0.00 C ATOM 102 CZ TYR A 857 8.558 0.963 -7.601 1.00 0.00 C ATOM 103 OH TYR A 857 8.680 -0.055 -8.503 1.00 0.00 O ATOM 0 HA TYR A 857 7.695 5.635 -6.196 1.00 0.00 H new ATOM 0 HB2 TYR A 857 8.862 3.974 -3.950 1.00 0.00 H new ATOM 0 HB3 TYR A 857 7.146 4.044 -4.301 1.00 0.00 H new ATOM 0 HD1 TYR A 857 10.434 3.121 -5.843 1.00 0.00 H new ATOM 0 HD2 TYR A 857 6.203 2.645 -5.916 1.00 0.00 H new ATOM 0 HE1 TYR A 857 10.662 1.297 -7.470 1.00 0.00 H new ATOM 0 HE2 TYR A 857 6.433 0.832 -7.537 1.00 0.00 H new ATOM 0 HH TYR A 857 7.867 -0.109 -9.047 1.00 0.00 H new ATOM 113 N VAL A 858 8.625 7.624 -4.122 1.00 0.00 N ATOM 114 CA VAL A 858 8.454 8.633 -3.132 1.00 0.00 C ATOM 115 C VAL A 858 8.671 9.971 -3.782 1.00 0.00 C ATOM 116 O VAL A 858 9.773 10.266 -4.258 1.00 0.00 O ATOM 117 CB VAL A 858 9.505 8.474 -1.995 1.00 0.00 C ATOM 118 CG1 VAL A 858 9.301 9.515 -0.893 1.00 0.00 C ATOM 119 CG2 VAL A 858 9.487 7.068 -1.412 1.00 0.00 C ATOM 0 H VAL A 858 9.431 7.787 -4.726 1.00 0.00 H new ATOM 0 HA VAL A 858 7.453 8.549 -2.709 1.00 0.00 H new ATOM 0 HB VAL A 858 10.485 8.642 -2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 858 10.052 9.374 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 858 9.398 10.515 -1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 858 8.307 9.398 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 858 10.233 6.993 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 858 8.500 6.857 -1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 858 9.715 6.346 -2.196 1.00 0.00 H new ATOM 129 N ILE A 859 7.639 10.743 -3.841 1.00 0.00 N ATOM 130 CA ILE A 859 7.722 12.072 -4.382 1.00 0.00 C ATOM 131 C ILE A 859 7.196 13.014 -3.309 1.00 0.00 C ATOM 132 O ILE A 859 6.436 12.589 -2.425 1.00 0.00 O ATOM 133 CB ILE A 859 6.858 12.223 -5.681 1.00 0.00 C ATOM 134 CG1 ILE A 859 7.162 11.096 -6.676 1.00 0.00 C ATOM 135 CG2 ILE A 859 7.120 13.572 -6.344 1.00 0.00 C ATOM 136 CD1 ILE A 859 6.273 11.113 -7.909 1.00 0.00 C ATOM 0 H ILE A 859 6.709 10.477 -3.517 1.00 0.00 H new ATOM 0 HA ILE A 859 8.753 12.298 -4.655 1.00 0.00 H new ATOM 0 HB ILE A 859 5.809 12.163 -5.391 1.00 0.00 H new ATOM 0 HG12 ILE A 859 8.203 11.171 -6.989 1.00 0.00 H new ATOM 0 HG13 ILE A 859 7.049 10.137 -6.171 1.00 0.00 H new ATOM 0 HG21 ILE A 859 6.512 13.659 -7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 859 6.861 14.374 -5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 859 8.174 13.648 -6.610 1.00 0.00 H new ATOM 0 HD11 ILE A 859 6.546 10.288 -8.566 1.00 0.00 H new ATOM 0 HD12 ILE A 859 5.231 11.007 -7.608 1.00 0.00 H new ATOM 0 HD13 ILE A 859 6.403 12.057 -8.439 1.00 0.00 H new ATOM 148 N ARG A 860 7.612 14.238 -3.329 1.00 0.00 N ATOM 149 CA ARG A 860 7.100 15.201 -2.412 1.00 0.00 C ATOM 150 C ARG A 860 6.037 16.027 -3.073 1.00 0.00 C ATOM 151 O ARG A 860 6.158 16.425 -4.238 1.00 0.00 O ATOM 152 CB ARG A 860 8.191 16.090 -1.816 1.00 0.00 C ATOM 153 CG ARG A 860 9.124 15.385 -0.846 1.00 0.00 C ATOM 154 CD ARG A 860 8.381 14.946 0.407 1.00 0.00 C ATOM 155 NE ARG A 860 9.262 14.288 1.377 1.00 0.00 N ATOM 156 CZ ARG A 860 8.998 14.168 2.691 1.00 0.00 C ATOM 157 NH1 ARG A 860 7.919 14.747 3.220 1.00 0.00 N ATOM 158 NH2 ARG A 860 9.832 13.514 3.479 1.00 0.00 N ATOM 0 H ARG A 860 8.313 14.597 -3.978 1.00 0.00 H new ATOM 0 HA ARG A 860 6.662 14.652 -1.578 1.00 0.00 H new ATOM 0 HB2 ARG A 860 8.783 16.509 -2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 860 7.718 16.927 -1.301 1.00 0.00 H new ATOM 0 HG2 ARG A 860 9.570 14.517 -1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 860 9.942 16.052 -0.573 1.00 0.00 H new ATOM 0 HD2 ARG A 860 7.916 15.814 0.873 1.00 0.00 H new ATOM 0 HD3 ARG A 860 7.577 14.264 0.129 1.00 0.00 H new ATOM 0 HE ARG A 860 10.137 13.893 1.031 1.00 0.00 H new ATOM 0 HH11 ARG A 860 7.287 15.285 2.628 1.00 0.00 H new ATOM 0 HH12 ARG A 860 7.726 14.651 4.217 1.00 0.00 H new ATOM 0 HH21 ARG A 860 10.679 13.098 3.092 1.00 0.00 H new ATOM 0 HH22 ARG A 860 9.629 13.425 4.475 1.00 0.00 H new ATOM 172 N ASP A 861 4.984 16.196 -2.352 1.00 0.00 N ATOM 173 CA ASP A 861 3.857 17.023 -2.726 1.00 0.00 C ATOM 174 C ASP A 861 4.239 18.491 -2.638 1.00 0.00 C ATOM 175 O ASP A 861 5.301 18.833 -2.114 1.00 0.00 O ATOM 176 CB ASP A 861 2.697 16.684 -1.780 1.00 0.00 C ATOM 177 CG ASP A 861 1.600 17.693 -1.680 1.00 0.00 C ATOM 178 OD1 ASP A 861 0.820 17.848 -2.618 1.00 0.00 O ATOM 179 OD2 ASP A 861 1.543 18.367 -0.650 1.00 0.00 O ATOM 0 H ASP A 861 4.866 15.748 -1.443 1.00 0.00 H new ATOM 0 HA ASP A 861 3.554 16.831 -3.755 1.00 0.00 H new ATOM 0 HB2 ASP A 861 2.261 15.738 -2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 861 3.106 16.525 -0.782 1.00 0.00 H new ATOM 184 N GLU A 862 3.361 19.336 -3.100 1.00 0.00 N ATOM 185 CA GLU A 862 3.575 20.767 -3.125 1.00 0.00 C ATOM 186 C GLU A 862 3.720 21.311 -1.703 1.00 0.00 C ATOM 187 O GLU A 862 4.513 22.227 -1.449 1.00 0.00 O ATOM 188 CB GLU A 862 2.420 21.477 -3.831 1.00 0.00 C ATOM 189 CG GLU A 862 2.109 20.944 -5.219 1.00 0.00 C ATOM 190 CD GLU A 862 3.303 20.963 -6.139 1.00 0.00 C ATOM 191 OE1 GLU A 862 3.653 22.030 -6.648 1.00 0.00 O ATOM 192 OE2 GLU A 862 3.898 19.888 -6.396 1.00 0.00 O ATOM 0 H GLU A 862 2.458 19.051 -3.478 1.00 0.00 H new ATOM 0 HA GLU A 862 4.495 20.959 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 862 1.526 21.392 -3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 862 2.655 22.539 -3.907 1.00 0.00 H new ATOM 0 HG2 GLU A 862 1.738 19.922 -5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 862 1.309 21.538 -5.659 1.00 0.00 H new ATOM 199 N TRP A 863 2.987 20.716 -0.772 1.00 0.00 N ATOM 200 CA TRP A 863 3.029 21.133 0.616 1.00 0.00 C ATOM 201 C TRP A 863 4.140 20.365 1.333 1.00 0.00 C ATOM 202 O TRP A 863 4.578 20.724 2.420 1.00 0.00 O ATOM 203 CB TRP A 863 1.663 20.888 1.279 1.00 0.00 C ATOM 204 CG TRP A 863 1.542 21.427 2.672 1.00 0.00 C ATOM 205 CD1 TRP A 863 1.729 20.744 3.837 1.00 0.00 C ATOM 206 CD2 TRP A 863 1.212 22.767 3.043 1.00 0.00 C ATOM 207 NE1 TRP A 863 1.540 21.580 4.908 1.00 0.00 N ATOM 208 CE2 TRP A 863 1.217 22.828 4.447 1.00 0.00 C ATOM 209 CE3 TRP A 863 0.913 23.919 2.321 1.00 0.00 C ATOM 210 CZ2 TRP A 863 0.937 23.998 5.139 1.00 0.00 C ATOM 211 CZ3 TRP A 863 0.634 25.082 3.010 1.00 0.00 C ATOM 212 CH2 TRP A 863 0.648 25.113 4.406 1.00 0.00 C ATOM 0 H TRP A 863 2.354 19.939 -0.958 1.00 0.00 H new ATOM 0 HA TRP A 863 3.243 22.200 0.680 1.00 0.00 H new ATOM 0 HB2 TRP A 863 0.887 21.339 0.660 1.00 0.00 H new ATOM 0 HB3 TRP A 863 1.471 19.815 1.300 1.00 0.00 H new ATOM 0 HD1 TRP A 863 1.988 19.698 3.906 1.00 0.00 H new ATOM 0 HE1 TRP A 863 1.626 21.315 5.889 1.00 0.00 H new ATOM 0 HE3 TRP A 863 0.900 23.903 1.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 0.947 24.025 6.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 0.401 25.982 2.461 1.00 0.00 H new ATOM 0 HH2 TRP A 863 0.426 26.038 4.917 1.00 0.00 H new ATOM 223 N GLY A 864 4.608 19.325 0.692 1.00 0.00 N ATOM 224 CA GLY A 864 5.659 18.515 1.253 1.00 0.00 C ATOM 225 C GLY A 864 5.144 17.200 1.771 1.00 0.00 C ATOM 226 O GLY A 864 5.863 16.471 2.457 1.00 0.00 O ATOM 0 H GLY A 864 4.276 19.018 -0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 864 6.420 18.332 0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 864 6.142 19.060 2.064 1.00 0.00 H new ATOM 230 N ASN A 865 3.895 16.888 1.453 1.00 0.00 N ATOM 231 CA ASN A 865 3.303 15.606 1.849 1.00 0.00 C ATOM 232 C ASN A 865 3.974 14.492 1.069 1.00 0.00 C ATOM 233 O ASN A 865 4.658 14.752 0.055 1.00 0.00 O ATOM 234 CB ASN A 865 1.777 15.554 1.593 1.00 0.00 C ATOM 235 CG ASN A 865 0.968 16.565 2.384 1.00 0.00 C ATOM 236 OD1 ASN A 865 0.582 16.312 3.531 1.00 0.00 O ATOM 237 ND2 ASN A 865 0.656 17.682 1.783 1.00 0.00 N ATOM 0 H ASN A 865 3.271 17.498 0.925 1.00 0.00 H new ATOM 0 HA ASN A 865 3.460 15.486 2.921 1.00 0.00 H new ATOM 0 HB2 ASN A 865 1.595 15.714 0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 865 1.416 14.553 1.831 1.00 0.00 H new ATOM 0 HD21 ASN A 865 0.079 18.374 2.261 1.00 0.00 H new ATOM 0 HD22 ASN A 865 0.990 17.862 0.836 1.00 0.00 H new ATOM 244 N GLN A 866 3.815 13.279 1.503 1.00 0.00 N ATOM 245 CA GLN A 866 4.420 12.185 0.807 1.00 0.00 C ATOM 246 C GLN A 866 3.521 11.674 -0.261 1.00 0.00 C ATOM 247 O GLN A 866 2.377 11.292 -0.014 1.00 0.00 O ATOM 248 CB GLN A 866 4.819 11.051 1.731 1.00 0.00 C ATOM 249 CG GLN A 866 5.920 11.410 2.692 1.00 0.00 C ATOM 250 CD GLN A 866 6.238 10.294 3.673 1.00 0.00 C ATOM 251 OE1 GLN A 866 6.059 9.058 3.255 1.00 0.00 O flip ATOM 252 NE2 GLN A 866 6.655 10.545 4.798 1.00 0.00 N flip ATOM 0 H GLN A 866 3.276 13.023 2.330 1.00 0.00 H new ATOM 0 HA GLN A 866 5.333 12.575 0.356 1.00 0.00 H new ATOM 0 HB2 GLN A 866 3.944 10.732 2.298 1.00 0.00 H new ATOM 0 HB3 GLN A 866 5.138 10.200 1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 866 6.820 11.659 2.129 1.00 0.00 H new ATOM 0 HG3 GLN A 866 5.634 12.304 3.247 1.00 0.00 H new ATOM 0 HE21 GLN A 866 6.782 11.514 5.090 1.00 0.00 H new ATOM 0 HE22 GLN A 866 6.875 9.785 5.442 1.00 0.00 H new ATOM 261 N ILE A 867 4.011 11.714 -1.440 1.00 0.00 N ATOM 262 CA ILE A 867 3.334 11.137 -2.544 1.00 0.00 C ATOM 263 C ILE A 867 3.828 9.737 -2.662 1.00 0.00 C ATOM 264 O ILE A 867 5.017 9.496 -2.943 1.00 0.00 O ATOM 265 CB ILE A 867 3.577 11.890 -3.862 1.00 0.00 C ATOM 266 CG1 ILE A 867 3.008 13.307 -3.808 1.00 0.00 C ATOM 267 CG2 ILE A 867 2.992 11.124 -5.052 1.00 0.00 C ATOM 268 CD1 ILE A 867 1.500 13.364 -3.647 1.00 0.00 C ATOM 0 H ILE A 867 4.902 12.152 -1.673 1.00 0.00 H new ATOM 0 HA ILE A 867 2.259 11.185 -2.369 1.00 0.00 H new ATOM 0 HB ILE A 867 4.656 11.964 -3.999 1.00 0.00 H new ATOM 0 HG12 ILE A 867 3.472 13.842 -2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 867 3.285 13.833 -4.721 1.00 0.00 H new ATOM 0 HG21 ILE A 867 3.179 11.681 -5.970 1.00 0.00 H new ATOM 0 HG22 ILE A 867 3.462 10.143 -5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 867 1.918 11.002 -4.914 1.00 0.00 H new ATOM 0 HD11 ILE A 867 1.176 14.404 -3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 867 1.025 12.860 -4.489 1.00 0.00 H new ATOM 0 HD13 ILE A 867 1.214 12.869 -2.719 1.00 0.00 H new ATOM 280 N TRP A 868 2.955 8.849 -2.400 1.00 0.00 N ATOM 281 CA TRP A 868 3.254 7.456 -2.419 1.00 0.00 C ATOM 282 C TRP A 868 3.043 6.922 -3.796 1.00 0.00 C ATOM 283 O TRP A 868 2.022 7.219 -4.442 1.00 0.00 O ATOM 284 CB TRP A 868 2.341 6.685 -1.466 1.00 0.00 C ATOM 285 CG TRP A 868 2.393 7.130 -0.045 1.00 0.00 C ATOM 286 CD1 TRP A 868 3.379 6.877 0.858 1.00 0.00 C ATOM 287 CD2 TRP A 868 1.390 7.883 0.651 1.00 0.00 C ATOM 288 NE1 TRP A 868 3.064 7.443 2.067 1.00 0.00 N ATOM 289 CE2 TRP A 868 1.846 8.064 1.967 1.00 0.00 C ATOM 290 CE3 TRP A 868 0.154 8.428 0.283 1.00 0.00 C ATOM 291 CZ2 TRP A 868 1.110 8.767 2.920 1.00 0.00 C ATOM 292 CZ3 TRP A 868 -0.574 9.120 1.229 1.00 0.00 C ATOM 293 CH2 TRP A 868 -0.093 9.285 2.532 1.00 0.00 C ATOM 0 H TRP A 868 1.987 9.063 -2.160 1.00 0.00 H new ATOM 0 HA TRP A 868 4.291 7.330 -2.106 1.00 0.00 H new ATOM 0 HB2 TRP A 868 1.314 6.772 -1.821 1.00 0.00 H new ATOM 0 HB3 TRP A 868 2.605 5.628 -1.510 1.00 0.00 H new ATOM 0 HD1 TRP A 868 4.277 6.314 0.653 1.00 0.00 H new ATOM 0 HE1 TRP A 868 3.643 7.408 2.906 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -0.222 8.309 -0.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 1.477 8.897 3.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -1.531 9.541 0.959 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -0.686 9.835 3.248 1.00 0.00 H new ATOM 304 N ILE A 869 4.000 6.215 -4.277 1.00 0.00 N ATOM 305 CA ILE A 869 3.832 5.502 -5.483 1.00 0.00 C ATOM 306 C ILE A 869 3.564 4.077 -5.124 1.00 0.00 C ATOM 307 O ILE A 869 4.455 3.362 -4.668 1.00 0.00 O ATOM 308 CB ILE A 869 5.030 5.635 -6.457 1.00 0.00 C ATOM 309 CG1 ILE A 869 5.171 7.097 -6.894 1.00 0.00 C ATOM 310 CG2 ILE A 869 4.872 4.711 -7.666 1.00 0.00 C ATOM 311 CD1 ILE A 869 6.214 7.354 -7.957 1.00 0.00 C ATOM 0 H ILE A 869 4.919 6.116 -3.845 1.00 0.00 H new ATOM 0 HA ILE A 869 2.993 5.929 -6.032 1.00 0.00 H new ATOM 0 HB ILE A 869 5.939 5.329 -5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 869 4.206 7.444 -7.264 1.00 0.00 H new ATOM 0 HG13 ILE A 869 5.412 7.699 -6.018 1.00 0.00 H new ATOM 0 HG21 ILE A 869 5.729 4.829 -8.329 1.00 0.00 H new ATOM 0 HG22 ILE A 869 4.815 3.676 -7.328 1.00 0.00 H new ATOM 0 HG23 ILE A 869 3.959 4.968 -8.204 1.00 0.00 H new ATOM 0 HD11 ILE A 869 6.235 8.417 -8.196 1.00 0.00 H new ATOM 0 HD12 ILE A 869 7.192 7.045 -7.589 1.00 0.00 H new ATOM 0 HD13 ILE A 869 5.968 6.785 -8.854 1.00 0.00 H new ATOM 323 N CYS A 870 2.312 3.729 -5.253 1.00 0.00 N ATOM 324 CA CYS A 870 1.786 2.433 -4.962 1.00 0.00 C ATOM 325 C CYS A 870 2.569 1.392 -5.750 1.00 0.00 C ATOM 326 O CYS A 870 2.491 1.354 -6.978 1.00 0.00 O ATOM 327 CB CYS A 870 0.303 2.459 -5.386 1.00 0.00 C ATOM 328 SG CYS A 870 -0.674 0.938 -5.252 1.00 0.00 S ATOM 0 H CYS A 870 1.599 4.380 -5.581 1.00 0.00 H new ATOM 0 HA CYS A 870 1.870 2.178 -3.905 1.00 0.00 H new ATOM 0 HB2 CYS A 870 -0.196 3.225 -4.792 1.00 0.00 H new ATOM 0 HB3 CYS A 870 0.263 2.786 -6.425 1.00 0.00 H new ATOM 0 HG CYS A 870 -1.686 0.999 -6.065 1.00 0.00 H new ATOM 333 N PRO A 871 3.344 0.532 -5.071 1.00 0.00 N ATOM 334 CA PRO A 871 4.154 -0.474 -5.744 1.00 0.00 C ATOM 335 C PRO A 871 3.304 -1.602 -6.333 1.00 0.00 C ATOM 336 O PRO A 871 3.827 -2.584 -6.864 1.00 0.00 O ATOM 337 CB PRO A 871 5.093 -0.990 -4.650 1.00 0.00 C ATOM 338 CG PRO A 871 4.397 -0.706 -3.364 1.00 0.00 C ATOM 339 CD PRO A 871 3.508 0.489 -3.598 1.00 0.00 C ATOM 0 HA PRO A 871 4.691 -0.061 -6.598 1.00 0.00 H new ATOM 0 HB2 PRO A 871 5.283 -2.057 -4.767 1.00 0.00 H new ATOM 0 HB3 PRO A 871 6.059 -0.488 -4.693 1.00 0.00 H new ATOM 0 HG2 PRO A 871 3.810 -1.567 -3.045 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.118 -0.501 -2.572 1.00 0.00 H new ATOM 0 HD2 PRO A 871 2.549 0.378 -3.093 1.00 0.00 H new ATOM 0 HD3 PRO A 871 3.963 1.405 -3.220 1.00 0.00 H new ATOM 347 N GLY A 872 2.002 -1.463 -6.214 1.00 0.00 N ATOM 348 CA GLY A 872 1.108 -2.404 -6.789 1.00 0.00 C ATOM 349 C GLY A 872 0.857 -2.095 -8.246 1.00 0.00 C ATOM 350 O GLY A 872 0.754 -2.998 -9.071 1.00 0.00 O ATOM 0 H GLY A 872 1.550 -0.695 -5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 872 1.521 -3.408 -6.693 1.00 0.00 H new ATOM 0 HA3 GLY A 872 0.164 -2.394 -6.244 1.00 0.00 H new ATOM 354 N CYS A 873 0.791 -0.818 -8.579 1.00 0.00 N ATOM 355 CA CYS A 873 0.510 -0.401 -9.941 1.00 0.00 C ATOM 356 C CYS A 873 1.704 0.330 -10.550 1.00 0.00 C ATOM 357 O CYS A 873 1.893 0.331 -11.785 1.00 0.00 O ATOM 358 CB CYS A 873 -0.660 0.549 -9.889 1.00 0.00 C ATOM 359 SG CYS A 873 -0.351 1.940 -8.785 1.00 0.00 S ATOM 0 H CYS A 873 0.929 -0.050 -7.922 1.00 0.00 H new ATOM 0 HA CYS A 873 0.297 -1.277 -10.553 1.00 0.00 H new ATOM 0 HB2 CYS A 873 -0.870 0.921 -10.892 1.00 0.00 H new ATOM 0 HB3 CYS A 873 -1.548 0.012 -9.556 1.00 0.00 H new ATOM 0 HG CYS A 873 -0.537 1.566 -7.554 1.00 0.00 H new ATOM 364 N ASN A 874 2.481 0.954 -9.663 1.00 0.00 N ATOM 365 CA ASN A 874 3.630 1.807 -9.967 1.00 0.00 C ATOM 366 C ASN A 874 3.163 3.224 -10.315 1.00 0.00 C ATOM 367 O ASN A 874 3.861 3.979 -10.991 1.00 0.00 O ATOM 368 CB ASN A 874 4.594 1.218 -11.034 1.00 0.00 C ATOM 369 CG ASN A 874 5.288 -0.066 -10.584 1.00 0.00 C ATOM 370 OD1 ASN A 874 6.359 -0.031 -9.975 1.00 0.00 O ATOM 371 ND2 ASN A 874 4.709 -1.207 -10.902 1.00 0.00 N ATOM 0 H ASN A 874 2.316 0.873 -8.660 1.00 0.00 H new ATOM 0 HA ASN A 874 4.233 1.855 -9.060 1.00 0.00 H new ATOM 0 HB2 ASN A 874 4.034 1.018 -11.948 1.00 0.00 H new ATOM 0 HB3 ASN A 874 5.350 1.963 -11.280 1.00 0.00 H new ATOM 0 HD21 ASN A 874 5.148 -2.091 -10.644 1.00 0.00 H new ATOM 0 HD22 ASN A 874 3.822 -1.206 -11.406 1.00 0.00 H new ATOM 378 N LYS A 875 1.979 3.579 -9.827 1.00 0.00 N ATOM 379 CA LYS A 875 1.426 4.932 -9.954 1.00 0.00 C ATOM 380 C LYS A 875 1.559 5.708 -8.649 1.00 0.00 C ATOM 381 O LYS A 875 1.427 5.142 -7.563 1.00 0.00 O ATOM 382 CB LYS A 875 -0.076 4.915 -10.227 1.00 0.00 C ATOM 383 CG LYS A 875 -0.574 4.563 -11.604 1.00 0.00 C ATOM 384 CD LYS A 875 -2.090 4.408 -11.513 1.00 0.00 C ATOM 385 CE LYS A 875 -2.801 4.572 -12.837 1.00 0.00 C ATOM 386 NZ LYS A 875 -2.736 5.966 -13.325 1.00 0.00 N ATOM 0 H LYS A 875 1.367 2.934 -9.327 1.00 0.00 H new ATOM 0 HA LYS A 875 1.983 5.387 -10.773 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -0.528 4.213 -9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -0.464 5.904 -9.982 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -0.310 5.342 -12.319 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -0.114 3.639 -11.955 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -2.321 3.423 -11.107 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -2.479 5.143 -10.809 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -2.353 3.907 -13.575 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -3.844 4.273 -12.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -3.519 6.139 -13.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -2.812 6.620 -12.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -1.831 6.121 -13.812 1.00 0.00 H new ATOM 400 N PRO A 876 1.805 7.007 -8.750 1.00 0.00 N ATOM 401 CA PRO A 876 1.702 7.927 -7.623 1.00 0.00 C ATOM 402 C PRO A 876 0.230 8.285 -7.423 1.00 0.00 C ATOM 403 O PRO A 876 -0.628 7.841 -8.203 1.00 0.00 O ATOM 404 CB PRO A 876 2.457 9.168 -8.106 1.00 0.00 C ATOM 405 CG PRO A 876 2.362 9.128 -9.588 1.00 0.00 C ATOM 406 CD PRO A 876 2.229 7.688 -9.983 1.00 0.00 C ATOM 0 HA PRO A 876 2.092 7.523 -6.689 1.00 0.00 H new ATOM 0 HB2 PRO A 876 2.012 10.080 -7.707 1.00 0.00 H new ATOM 0 HB3 PRO A 876 3.496 9.150 -7.777 1.00 0.00 H new ATOM 0 HG2 PRO A 876 1.503 9.703 -9.934 1.00 0.00 H new ATOM 0 HG3 PRO A 876 3.248 9.572 -10.043 1.00 0.00 H new ATOM 0 HD2 PRO A 876 1.496 7.561 -10.779 1.00 0.00 H new ATOM 0 HD3 PRO A 876 3.173 7.289 -10.353 1.00 0.00 H new ATOM 414 N ASP A 877 -0.103 9.014 -6.381 1.00 0.00 N ATOM 415 CA ASP A 877 -1.477 9.491 -6.270 1.00 0.00 C ATOM 416 C ASP A 877 -1.753 10.529 -7.321 1.00 0.00 C ATOM 417 O ASP A 877 -1.305 11.674 -7.222 1.00 0.00 O ATOM 418 CB ASP A 877 -1.855 10.027 -4.896 1.00 0.00 C ATOM 419 CG ASP A 877 -3.266 10.618 -4.916 1.00 0.00 C ATOM 420 OD1 ASP A 877 -4.187 9.991 -5.474 1.00 0.00 O ATOM 421 OD2 ASP A 877 -3.459 11.755 -4.423 1.00 0.00 O ATOM 0 H ASP A 877 0.524 9.285 -5.623 1.00 0.00 H new ATOM 0 HA ASP A 877 -2.103 8.612 -6.426 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -1.802 9.225 -4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -1.140 10.790 -4.588 1.00 0.00 H new ATOM 426 N ASP A 878 -2.431 10.111 -8.350 1.00 0.00 N ATOM 427 CA ASP A 878 -2.807 10.999 -9.433 1.00 0.00 C ATOM 428 C ASP A 878 -4.206 11.536 -9.215 1.00 0.00 C ATOM 429 O ASP A 878 -4.743 12.296 -10.036 1.00 0.00 O ATOM 430 CB ASP A 878 -2.663 10.333 -10.835 1.00 0.00 C ATOM 431 CG ASP A 878 -3.511 9.079 -11.071 1.00 0.00 C ATOM 432 OD1 ASP A 878 -4.737 9.183 -11.225 1.00 0.00 O ATOM 433 OD2 ASP A 878 -2.940 7.959 -11.185 1.00 0.00 O ATOM 0 H ASP A 878 -2.743 9.147 -8.470 1.00 0.00 H new ATOM 0 HA ASP A 878 -2.108 11.836 -9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -2.921 11.071 -11.594 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -1.615 10.073 -10.986 1.00 0.00 H new ATOM 438 N GLY A 879 -4.771 11.204 -8.078 1.00 0.00 N ATOM 439 CA GLY A 879 -6.091 11.634 -7.760 1.00 0.00 C ATOM 440 C GLY A 879 -6.989 10.459 -7.562 1.00 0.00 C ATOM 441 O GLY A 879 -8.004 10.319 -8.240 1.00 0.00 O ATOM 0 H GLY A 879 -4.324 10.633 -7.360 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -6.074 12.243 -6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -6.478 12.264 -8.561 1.00 0.00 H new ATOM 445 N SER A 880 -6.612 9.592 -6.672 1.00 0.00 N ATOM 446 CA SER A 880 -7.370 8.427 -6.397 1.00 0.00 C ATOM 447 C SER A 880 -7.493 8.244 -4.873 1.00 0.00 C ATOM 448 O SER A 880 -6.764 8.896 -4.100 1.00 0.00 O ATOM 449 CB SER A 880 -6.643 7.236 -7.007 1.00 0.00 C ATOM 450 OG SER A 880 -6.356 7.452 -8.385 1.00 0.00 O ATOM 0 H SER A 880 -5.762 9.681 -6.116 1.00 0.00 H new ATOM 0 HA SER A 880 -8.371 8.511 -6.821 1.00 0.00 H new ATOM 0 HB2 SER A 880 -5.715 7.058 -6.464 1.00 0.00 H new ATOM 0 HB3 SER A 880 -7.254 6.340 -6.897 1.00 0.00 H new ATOM 0 HG SER A 880 -5.888 6.671 -8.748 1.00 0.00 H new ATOM 456 N PRO A 881 -8.443 7.416 -4.409 1.00 0.00 N ATOM 457 CA PRO A 881 -8.547 7.059 -3.009 1.00 0.00 C ATOM 458 C PRO A 881 -7.446 6.059 -2.680 1.00 0.00 C ATOM 459 O PRO A 881 -7.141 5.142 -3.494 1.00 0.00 O ATOM 460 CB PRO A 881 -9.936 6.408 -2.886 1.00 0.00 C ATOM 461 CG PRO A 881 -10.601 6.652 -4.200 1.00 0.00 C ATOM 462 CD PRO A 881 -9.493 6.780 -5.191 1.00 0.00 C ATOM 0 HA PRO A 881 -8.437 7.904 -2.329 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -9.854 5.341 -2.679 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -10.506 6.849 -2.068 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -11.268 5.830 -4.461 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -11.208 7.557 -4.171 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -9.180 5.810 -5.577 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -9.784 7.386 -6.049 1.00 0.00 H new ATOM 470 N MET A 882 -6.820 6.231 -1.558 1.00 0.00 N ATOM 471 CA MET A 882 -5.709 5.405 -1.214 1.00 0.00 C ATOM 472 C MET A 882 -6.000 4.599 0.024 1.00 0.00 C ATOM 473 O MET A 882 -6.800 5.000 0.864 1.00 0.00 O ATOM 474 CB MET A 882 -4.411 6.229 -1.068 1.00 0.00 C ATOM 475 CG MET A 882 -4.075 7.056 -2.309 1.00 0.00 C ATOM 476 SD MET A 882 -2.390 7.704 -2.331 1.00 0.00 S ATOM 477 CE MET A 882 -1.461 6.203 -2.658 1.00 0.00 C ATOM 0 H MET A 882 -7.061 6.938 -0.864 1.00 0.00 H new ATOM 0 HA MET A 882 -5.549 4.705 -2.034 1.00 0.00 H new ATOM 0 HB2 MET A 882 -4.507 6.896 -0.211 1.00 0.00 H new ATOM 0 HB3 MET A 882 -3.582 5.554 -0.855 1.00 0.00 H new ATOM 0 HG2 MET A 882 -4.227 6.440 -3.195 1.00 0.00 H new ATOM 0 HG3 MET A 882 -4.774 7.890 -2.377 1.00 0.00 H new ATOM 0 HE1 MET A 882 -0.554 6.449 -3.210 1.00 0.00 H new ATOM 0 HE2 MET A 882 -1.194 5.728 -1.714 1.00 0.00 H new ATOM 0 HE3 MET A 882 -2.071 5.519 -3.249 1.00 0.00 H new ATOM 487 N ILE A 883 -5.365 3.472 0.128 1.00 0.00 N ATOM 488 CA ILE A 883 -5.564 2.570 1.225 1.00 0.00 C ATOM 489 C ILE A 883 -4.195 2.089 1.737 1.00 0.00 C ATOM 490 O ILE A 883 -3.316 1.786 0.944 1.00 0.00 O ATOM 491 CB ILE A 883 -6.485 1.370 0.803 1.00 0.00 C ATOM 492 CG1 ILE A 883 -6.736 0.450 2.002 1.00 0.00 C ATOM 493 CG2 ILE A 883 -5.914 0.595 -0.408 1.00 0.00 C ATOM 494 CD1 ILE A 883 -7.772 -0.606 1.758 1.00 0.00 C ATOM 0 H ILE A 883 -4.683 3.146 -0.557 1.00 0.00 H new ATOM 0 HA ILE A 883 -6.076 3.088 2.036 1.00 0.00 H new ATOM 0 HB ILE A 883 -7.442 1.778 0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 883 -5.799 -0.033 2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 883 -7.045 1.057 2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 883 -6.584 -0.226 -0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 883 -5.823 1.268 -1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 883 -4.932 0.196 -0.154 1.00 0.00 H new ATOM 0 HD11 ILE A 883 -7.890 -1.214 2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 883 -8.723 -0.133 1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 883 -7.457 -1.240 0.929 1.00 0.00 H new ATOM 506 N GLY A 884 -4.001 2.090 3.036 1.00 0.00 N ATOM 507 CA GLY A 884 -2.723 1.689 3.602 1.00 0.00 C ATOM 508 C GLY A 884 -2.752 0.267 4.091 1.00 0.00 C ATOM 509 O GLY A 884 -3.836 -0.280 4.337 1.00 0.00 O ATOM 0 H GLY A 884 -4.705 2.362 3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 884 -1.942 1.799 2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 884 -2.467 2.353 4.428 1.00 0.00 H new ATOM 513 N CYS A 885 -1.592 -0.334 4.249 1.00 0.00 N ATOM 514 CA CYS A 885 -1.516 -1.703 4.678 1.00 0.00 C ATOM 515 C CYS A 885 -1.553 -1.798 6.194 1.00 0.00 C ATOM 516 O CYS A 885 -1.398 -0.800 6.910 1.00 0.00 O ATOM 517 CB CYS A 885 -0.248 -2.377 4.116 1.00 0.00 C ATOM 518 SG CYS A 885 -0.043 -4.155 4.499 1.00 0.00 S ATOM 0 H CYS A 885 -0.689 0.111 4.085 1.00 0.00 H new ATOM 0 HA CYS A 885 -2.385 -2.232 4.287 1.00 0.00 H new ATOM 0 HB2 CYS A 885 -0.248 -2.257 3.033 1.00 0.00 H new ATOM 0 HB3 CYS A 885 0.622 -1.842 4.496 1.00 0.00 H new ATOM 0 HG CYS A 885 1.118 -4.559 4.077 1.00 0.00 H new ATOM 523 N ASP A 886 -1.760 -2.989 6.669 1.00 0.00 N ATOM 524 CA ASP A 886 -1.787 -3.260 8.080 1.00 0.00 C ATOM 525 C ASP A 886 -0.391 -3.677 8.522 1.00 0.00 C ATOM 526 O ASP A 886 -0.022 -3.517 9.684 1.00 0.00 O ATOM 527 CB ASP A 886 -2.811 -4.363 8.397 1.00 0.00 C ATOM 528 CG ASP A 886 -3.064 -4.544 9.882 1.00 0.00 C ATOM 529 OD1 ASP A 886 -3.776 -3.700 10.474 1.00 0.00 O ATOM 530 OD2 ASP A 886 -2.619 -5.557 10.471 1.00 0.00 O ATOM 0 H ASP A 886 -1.917 -3.810 6.085 1.00 0.00 H new ATOM 0 HA ASP A 886 -2.088 -2.364 8.622 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -3.753 -4.127 7.902 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -2.459 -5.306 7.979 1.00 0.00 H new ATOM 535 N ASP A 887 0.416 -4.166 7.573 1.00 0.00 N ATOM 536 CA ASP A 887 1.784 -4.590 7.906 1.00 0.00 C ATOM 537 C ASP A 887 2.799 -3.543 7.494 1.00 0.00 C ATOM 538 O ASP A 887 3.786 -3.307 8.211 1.00 0.00 O ATOM 539 CB ASP A 887 2.160 -5.947 7.295 1.00 0.00 C ATOM 540 CG ASP A 887 3.495 -6.468 7.836 1.00 0.00 C ATOM 541 OD1 ASP A 887 3.569 -6.782 9.048 1.00 0.00 O ATOM 542 OD2 ASP A 887 4.487 -6.608 7.066 1.00 0.00 O ATOM 0 H ASP A 887 0.157 -4.277 6.593 1.00 0.00 H new ATOM 0 HA ASP A 887 1.803 -4.705 8.990 1.00 0.00 H new ATOM 0 HB2 ASP A 887 1.374 -6.671 7.509 1.00 0.00 H new ATOM 0 HB3 ASP A 887 2.220 -5.853 6.211 1.00 0.00 H new ATOM 547 N CYS A 888 2.577 -2.899 6.361 1.00 0.00 N ATOM 548 CA CYS A 888 3.489 -1.867 5.940 1.00 0.00 C ATOM 549 C CYS A 888 2.923 -0.467 6.188 1.00 0.00 C ATOM 550 O CYS A 888 1.750 -0.308 6.532 1.00 0.00 O ATOM 551 CB CYS A 888 4.071 -2.090 4.512 1.00 0.00 C ATOM 552 SG CYS A 888 2.892 -2.345 3.162 1.00 0.00 S ATOM 0 H CYS A 888 1.791 -3.071 5.734 1.00 0.00 H new ATOM 0 HA CYS A 888 4.366 -1.944 6.583 1.00 0.00 H new ATOM 0 HB2 CYS A 888 4.688 -1.227 4.261 1.00 0.00 H new ATOM 0 HB3 CYS A 888 4.733 -2.955 4.549 1.00 0.00 H new ATOM 0 HG CYS A 888 2.677 -3.618 3.008 1.00 0.00 H new ATOM 557 N ASP A 889 3.762 0.514 6.032 1.00 0.00 N ATOM 558 CA ASP A 889 3.452 1.902 6.396 1.00 0.00 C ATOM 559 C ASP A 889 2.920 2.706 5.222 1.00 0.00 C ATOM 560 O ASP A 889 2.225 3.730 5.397 1.00 0.00 O ATOM 561 CB ASP A 889 4.740 2.555 6.909 1.00 0.00 C ATOM 562 CG ASP A 889 4.602 4.019 7.237 1.00 0.00 C ATOM 563 OD1 ASP A 889 4.165 4.348 8.359 1.00 0.00 O ATOM 564 OD2 ASP A 889 4.984 4.872 6.397 1.00 0.00 O ATOM 0 H ASP A 889 4.698 0.391 5.645 1.00 0.00 H new ATOM 0 HA ASP A 889 2.673 1.891 7.158 1.00 0.00 H new ATOM 0 HB2 ASP A 889 5.073 2.024 7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 889 5.520 2.435 6.157 1.00 0.00 H new ATOM 569 N ASP A 890 3.210 2.233 4.044 1.00 0.00 N ATOM 570 CA ASP A 890 2.938 2.983 2.842 1.00 0.00 C ATOM 571 C ASP A 890 1.530 2.743 2.332 1.00 0.00 C ATOM 572 O ASP A 890 0.857 1.780 2.735 1.00 0.00 O ATOM 573 CB ASP A 890 4.001 2.703 1.770 1.00 0.00 C ATOM 574 CG ASP A 890 5.406 3.035 2.262 1.00 0.00 C ATOM 575 OD1 ASP A 890 5.736 4.239 2.424 1.00 0.00 O ATOM 576 OD2 ASP A 890 6.195 2.094 2.557 1.00 0.00 O ATOM 0 H ASP A 890 3.640 1.322 3.885 1.00 0.00 H new ATOM 0 HA ASP A 890 2.997 4.043 3.090 1.00 0.00 H new ATOM 0 HB2 ASP A 890 3.956 1.653 1.480 1.00 0.00 H new ATOM 0 HB3 ASP A 890 3.781 3.290 0.878 1.00 0.00 H new ATOM 581 N TRP A 891 1.085 3.618 1.459 1.00 0.00 N ATOM 582 CA TRP A 891 -0.274 3.597 0.964 1.00 0.00 C ATOM 583 C TRP A 891 -0.355 3.182 -0.496 1.00 0.00 C ATOM 584 O TRP A 891 0.498 3.534 -1.310 1.00 0.00 O ATOM 585 CB TRP A 891 -0.959 4.963 1.189 1.00 0.00 C ATOM 586 CG TRP A 891 -1.291 5.254 2.636 1.00 0.00 C ATOM 587 CD1 TRP A 891 -0.418 5.395 3.680 1.00 0.00 C ATOM 588 CD2 TRP A 891 -2.597 5.461 3.187 1.00 0.00 C ATOM 589 NE1 TRP A 891 -1.109 5.640 4.844 1.00 0.00 N ATOM 590 CE2 TRP A 891 -2.444 5.688 4.564 1.00 0.00 C ATOM 591 CE3 TRP A 891 -3.879 5.463 2.649 1.00 0.00 C ATOM 592 CZ2 TRP A 891 -3.527 5.912 5.402 1.00 0.00 C ATOM 593 CZ3 TRP A 891 -4.952 5.691 3.481 1.00 0.00 C ATOM 594 CH2 TRP A 891 -4.770 5.911 4.843 1.00 0.00 C ATOM 0 H TRP A 891 1.657 4.368 1.070 1.00 0.00 H new ATOM 0 HA TRP A 891 -0.810 2.840 1.536 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -0.308 5.751 0.811 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -1.877 4.999 0.602 1.00 0.00 H new ATOM 0 HD1 TRP A 891 0.657 5.324 3.602 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -0.692 5.765 5.766 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -4.031 5.288 1.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -3.390 6.081 6.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -5.951 5.699 3.070 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -5.632 6.085 5.470 1.00 0.00 H new ATOM 605 N TYR A 892 -1.385 2.435 -0.792 1.00 0.00 N ATOM 606 CA TYR A 892 -1.686 1.921 -2.110 1.00 0.00 C ATOM 607 C TYR A 892 -2.949 2.584 -2.605 1.00 0.00 C ATOM 608 O TYR A 892 -3.515 3.410 -1.912 1.00 0.00 O ATOM 609 CB TYR A 892 -1.910 0.411 -2.034 1.00 0.00 C ATOM 610 CG TYR A 892 -0.692 -0.376 -1.639 1.00 0.00 C ATOM 611 CD1 TYR A 892 -0.306 -0.488 -0.309 1.00 0.00 C ATOM 612 CD2 TYR A 892 0.062 -1.023 -2.598 1.00 0.00 C ATOM 613 CE1 TYR A 892 0.792 -1.220 0.045 1.00 0.00 C ATOM 614 CE2 TYR A 892 1.166 -1.755 -2.254 1.00 0.00 C ATOM 615 CZ TYR A 892 1.526 -1.854 -0.933 1.00 0.00 C ATOM 616 OH TYR A 892 2.600 -2.613 -0.579 1.00 0.00 O ATOM 0 H TYR A 892 -2.071 2.153 -0.092 1.00 0.00 H new ATOM 0 HA TYR A 892 -0.857 2.128 -2.787 1.00 0.00 H new ATOM 0 HB2 TYR A 892 -2.707 0.209 -1.318 1.00 0.00 H new ATOM 0 HB3 TYR A 892 -2.257 0.058 -3.005 1.00 0.00 H new ATOM 0 HD1 TYR A 892 -0.882 0.011 0.456 1.00 0.00 H new ATOM 0 HD2 TYR A 892 -0.224 -0.950 -3.637 1.00 0.00 H new ATOM 0 HE1 TYR A 892 1.082 -1.301 1.082 1.00 0.00 H new ATOM 0 HE2 TYR A 892 1.749 -2.251 -3.016 1.00 0.00 H new ATOM 0 HH TYR A 892 2.291 -3.481 -0.245 1.00 0.00 H new ATOM 626 N HIS A 893 -3.409 2.221 -3.769 1.00 0.00 N ATOM 627 CA HIS A 893 -4.642 2.802 -4.312 1.00 0.00 C ATOM 628 C HIS A 893 -5.731 1.756 -4.335 1.00 0.00 C ATOM 629 O HIS A 893 -5.452 0.564 -4.305 1.00 0.00 O ATOM 630 CB HIS A 893 -4.468 3.309 -5.745 1.00 0.00 C ATOM 631 CG HIS A 893 -3.406 4.321 -5.971 1.00 0.00 C ATOM 632 ND1 HIS A 893 -2.209 3.956 -6.520 1.00 0.00 N ATOM 633 CD2 HIS A 893 -3.418 5.656 -5.779 1.00 0.00 C ATOM 634 CE1 HIS A 893 -1.520 5.080 -6.653 1.00 0.00 C ATOM 635 NE2 HIS A 893 -2.209 6.121 -6.221 1.00 0.00 N ATOM 0 H HIS A 893 -2.963 1.529 -4.372 1.00 0.00 H new ATOM 0 HA HIS A 893 -4.900 3.642 -3.667 1.00 0.00 H new ATOM 0 HB2 HIS A 893 -4.263 2.452 -6.386 1.00 0.00 H new ATOM 0 HB3 HIS A 893 -5.417 3.733 -6.073 1.00 0.00 H new ATOM 0 HD1 HIS A 893 -1.909 3.015 -6.774 1.00 0.00 H new ATOM 0 HD2 HIS A 893 -4.222 6.242 -5.360 1.00 0.00 H new ATOM 0 HE1 HIS A 893 -0.522 5.138 -7.062 1.00 0.00 H new ATOM 643 N TRP A 894 -6.958 2.214 -4.407 1.00 0.00 N ATOM 644 CA TRP A 894 -8.130 1.343 -4.497 1.00 0.00 C ATOM 645 C TRP A 894 -8.159 0.412 -5.736 1.00 0.00 C ATOM 646 O TRP A 894 -8.293 -0.801 -5.569 1.00 0.00 O ATOM 647 CB TRP A 894 -9.434 2.141 -4.388 1.00 0.00 C ATOM 648 CG TRP A 894 -9.765 2.577 -3.001 1.00 0.00 C ATOM 649 CD1 TRP A 894 -8.916 2.680 -1.937 1.00 0.00 C ATOM 650 CD2 TRP A 894 -11.051 2.955 -2.524 1.00 0.00 C ATOM 651 NE1 TRP A 894 -9.604 3.099 -0.835 1.00 0.00 N ATOM 652 CE2 TRP A 894 -10.913 3.278 -1.166 1.00 0.00 C ATOM 653 CE3 TRP A 894 -12.309 3.053 -3.116 1.00 0.00 C ATOM 654 CZ2 TRP A 894 -11.982 3.690 -0.388 1.00 0.00 C ATOM 655 CZ3 TRP A 894 -13.370 3.461 -2.346 1.00 0.00 C ATOM 656 CH2 TRP A 894 -13.200 3.777 -0.993 1.00 0.00 C ATOM 0 H TRP A 894 -7.184 3.209 -4.406 1.00 0.00 H new ATOM 0 HA TRP A 894 -8.042 0.679 -3.637 1.00 0.00 H new ATOM 0 HB2 TRP A 894 -9.364 3.021 -5.027 1.00 0.00 H new ATOM 0 HB3 TRP A 894 -10.253 1.533 -4.772 1.00 0.00 H new ATOM 0 HD1 TRP A 894 -7.858 2.463 -1.963 1.00 0.00 H new ATOM 0 HE1 TRP A 894 -9.202 3.253 0.089 1.00 0.00 H new ATOM 0 HE3 TRP A 894 -12.446 2.813 -4.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 -11.855 3.933 0.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 -14.351 3.539 -2.791 1.00 0.00 H new ATOM 0 HH2 TRP A 894 -14.054 4.097 -0.415 1.00 0.00 H new ATOM 667 N PRO A 895 -8.029 0.936 -6.991 1.00 0.00 N ATOM 668 CA PRO A 895 -8.124 0.100 -8.212 1.00 0.00 C ATOM 669 C PRO A 895 -7.042 -0.982 -8.315 1.00 0.00 C ATOM 670 O PRO A 895 -7.258 -2.034 -8.929 1.00 0.00 O ATOM 671 CB PRO A 895 -7.964 1.112 -9.359 1.00 0.00 C ATOM 672 CG PRO A 895 -7.275 2.272 -8.736 1.00 0.00 C ATOM 673 CD PRO A 895 -7.820 2.355 -7.350 1.00 0.00 C ATOM 0 HA PRO A 895 -9.062 -0.455 -8.223 1.00 0.00 H new ATOM 0 HB2 PRO A 895 -7.378 0.695 -10.178 1.00 0.00 H new ATOM 0 HB3 PRO A 895 -8.931 1.399 -9.773 1.00 0.00 H new ATOM 0 HG2 PRO A 895 -6.194 2.129 -8.726 1.00 0.00 H new ATOM 0 HG3 PRO A 895 -7.470 3.190 -9.291 1.00 0.00 H new ATOM 0 HD2 PRO A 895 -7.123 2.845 -6.671 1.00 0.00 H new ATOM 0 HD3 PRO A 895 -8.750 2.922 -7.315 1.00 0.00 H new ATOM 681 N CYS A 896 -5.912 -0.739 -7.693 1.00 0.00 N ATOM 682 CA CYS A 896 -4.771 -1.624 -7.765 1.00 0.00 C ATOM 683 C CYS A 896 -5.025 -2.934 -7.031 1.00 0.00 C ATOM 684 O CYS A 896 -4.593 -4.017 -7.453 1.00 0.00 O ATOM 685 CB CYS A 896 -3.665 -0.883 -7.090 1.00 0.00 C ATOM 686 SG CYS A 896 -3.658 0.842 -7.579 1.00 0.00 S ATOM 0 H CYS A 896 -5.757 0.088 -7.116 1.00 0.00 H new ATOM 0 HA CYS A 896 -4.545 -1.885 -8.799 1.00 0.00 H new ATOM 0 HB2 CYS A 896 -3.779 -0.958 -6.009 1.00 0.00 H new ATOM 0 HB3 CYS A 896 -2.708 -1.340 -7.342 1.00 0.00 H new ATOM 0 HG CYS A 896 -2.470 1.171 -7.992 1.00 0.00 H new ATOM 691 N VAL A 897 -5.718 -2.820 -5.952 1.00 0.00 N ATOM 692 CA VAL A 897 -5.959 -3.928 -5.078 1.00 0.00 C ATOM 693 C VAL A 897 -7.411 -4.414 -5.179 1.00 0.00 C ATOM 694 O VAL A 897 -7.735 -5.526 -4.759 1.00 0.00 O ATOM 695 CB VAL A 897 -5.599 -3.531 -3.633 1.00 0.00 C ATOM 696 CG1 VAL A 897 -4.103 -3.248 -3.525 1.00 0.00 C ATOM 697 CG2 VAL A 897 -6.368 -2.292 -3.259 1.00 0.00 C ATOM 0 H VAL A 897 -6.142 -1.945 -5.642 1.00 0.00 H new ATOM 0 HA VAL A 897 -5.325 -4.761 -5.382 1.00 0.00 H new ATOM 0 HB VAL A 897 -5.856 -4.349 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 897 -3.859 -2.968 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 897 -3.543 -4.141 -3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 897 -3.838 -2.432 -4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 897 -6.119 -2.004 -2.238 1.00 0.00 H new ATOM 0 HG22 VAL A 897 -6.105 -1.482 -3.939 1.00 0.00 H new ATOM 0 HG23 VAL A 897 -7.437 -2.492 -3.329 1.00 0.00 H new ATOM 707 N GLY A 898 -8.275 -3.572 -5.721 1.00 0.00 N ATOM 708 CA GLY A 898 -9.648 -3.945 -5.931 1.00 0.00 C ATOM 709 C GLY A 898 -10.553 -3.547 -4.788 1.00 0.00 C ATOM 710 O GLY A 898 -11.329 -4.367 -4.291 1.00 0.00 O ATOM 0 H GLY A 898 -8.041 -2.626 -6.021 1.00 0.00 H new ATOM 0 HA2 GLY A 898 -10.008 -3.481 -6.849 1.00 0.00 H new ATOM 0 HA3 GLY A 898 -9.707 -5.024 -6.074 1.00 0.00 H new ATOM 714 N ILE A 899 -10.460 -2.308 -4.356 1.00 0.00 N ATOM 715 CA ILE A 899 -11.332 -1.834 -3.293 1.00 0.00 C ATOM 716 C ILE A 899 -12.606 -1.295 -3.919 1.00 0.00 C ATOM 717 O ILE A 899 -12.550 -0.435 -4.811 1.00 0.00 O ATOM 718 CB ILE A 899 -10.693 -0.707 -2.435 1.00 0.00 C ATOM 719 CG1 ILE A 899 -9.336 -1.114 -1.876 1.00 0.00 C ATOM 720 CG2 ILE A 899 -11.614 -0.308 -1.294 1.00 0.00 C ATOM 721 CD1 ILE A 899 -9.361 -2.330 -0.976 1.00 0.00 C ATOM 0 H ILE A 899 -9.802 -1.617 -4.715 1.00 0.00 H new ATOM 0 HA ILE A 899 -11.524 -2.679 -2.631 1.00 0.00 H new ATOM 0 HB ILE A 899 -10.545 0.147 -3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 899 -8.659 -1.309 -2.708 1.00 0.00 H new ATOM 0 HG13 ILE A 899 -8.922 -0.274 -1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 899 -11.145 0.482 -0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 899 -12.560 0.053 -1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 899 -11.799 -1.172 -0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 899 -8.351 -2.544 -0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 899 -10.008 -2.136 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 899 -9.742 -3.187 -1.532 1.00 0.00 H new ATOM 733 N MET A 900 -13.728 -1.805 -3.485 1.00 0.00 N ATOM 734 CA MET A 900 -15.010 -1.361 -3.993 1.00 0.00 C ATOM 735 C MET A 900 -15.541 -0.232 -3.126 1.00 0.00 C ATOM 736 O MET A 900 -16.117 0.732 -3.622 1.00 0.00 O ATOM 737 CB MET A 900 -16.015 -2.521 -4.023 1.00 0.00 C ATOM 738 CG MET A 900 -15.597 -3.682 -4.916 1.00 0.00 C ATOM 739 SD MET A 900 -16.808 -5.028 -4.948 1.00 0.00 S ATOM 740 CE MET A 900 -16.821 -5.538 -3.226 1.00 0.00 C ATOM 0 H MET A 900 -13.785 -2.535 -2.775 1.00 0.00 H new ATOM 0 HA MET A 900 -14.875 -1.000 -5.013 1.00 0.00 H new ATOM 0 HB2 MET A 900 -16.158 -2.891 -3.008 1.00 0.00 H new ATOM 0 HB3 MET A 900 -16.979 -2.144 -4.363 1.00 0.00 H new ATOM 0 HG2 MET A 900 -15.444 -3.315 -5.931 1.00 0.00 H new ATOM 0 HG3 MET A 900 -14.639 -4.071 -4.570 1.00 0.00 H new ATOM 0 HE1 MET A 900 -17.273 -6.527 -3.143 1.00 0.00 H new ATOM 0 HE2 MET A 900 -15.799 -5.573 -2.849 1.00 0.00 H new ATOM 0 HE3 MET A 900 -17.400 -4.824 -2.640 1.00 0.00 H new ATOM 750 N ALA A 901 -15.302 -0.346 -1.840 1.00 0.00 N ATOM 751 CA ALA A 901 -15.737 0.613 -0.856 1.00 0.00 C ATOM 752 C ALA A 901 -14.822 0.459 0.321 1.00 0.00 C ATOM 753 O ALA A 901 -14.196 -0.599 0.448 1.00 0.00 O ATOM 754 CB ALA A 901 -17.180 0.344 -0.444 1.00 0.00 C ATOM 0 H ALA A 901 -14.786 -1.130 -1.441 1.00 0.00 H new ATOM 0 HA ALA A 901 -15.700 1.626 -1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 901 -17.489 1.079 0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 901 -17.828 0.417 -1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 901 -17.256 -0.657 -0.019 1.00 0.00 H new ATOM 760 N ALA A 902 -14.733 1.476 1.157 1.00 0.00 N ATOM 761 CA ALA A 902 -13.831 1.482 2.303 1.00 0.00 C ATOM 762 C ALA A 902 -14.055 0.271 3.216 1.00 0.00 C ATOM 763 O ALA A 902 -15.133 0.102 3.795 1.00 0.00 O ATOM 764 CB ALA A 902 -13.959 2.779 3.083 1.00 0.00 C ATOM 0 H ALA A 902 -15.286 2.328 1.063 1.00 0.00 H new ATOM 0 HA ALA A 902 -12.815 1.410 1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -13.277 2.761 3.933 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -13.709 3.619 2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -14.983 2.889 3.441 1.00 0.00 H new ATOM 770 N PRO A 903 -13.057 -0.619 3.292 1.00 0.00 N ATOM 771 CA PRO A 903 -13.119 -1.833 4.116 1.00 0.00 C ATOM 772 C PRO A 903 -13.090 -1.528 5.633 1.00 0.00 C ATOM 773 O PRO A 903 -12.788 -0.402 6.044 1.00 0.00 O ATOM 774 CB PRO A 903 -11.857 -2.610 3.690 1.00 0.00 C ATOM 775 CG PRO A 903 -10.931 -1.572 3.181 1.00 0.00 C ATOM 776 CD PRO A 903 -11.792 -0.531 2.540 1.00 0.00 C ATOM 0 HA PRO A 903 -14.048 -2.382 3.965 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -11.422 -3.151 4.531 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -12.087 -3.347 2.921 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -10.340 -1.145 3.991 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -10.229 -1.994 2.462 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -11.347 0.461 2.618 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -11.941 -0.731 1.479 1.00 0.00 H new ATOM 845 N GLN A 908 -7.727 -6.698 8.995 1.00 0.00 N ATOM 846 CA GLN A 908 -6.381 -6.359 8.705 1.00 0.00 C ATOM 847 C GLN A 908 -6.238 -6.493 7.218 1.00 0.00 C ATOM 848 O GLN A 908 -6.501 -7.554 6.654 1.00 0.00 O ATOM 849 CB GLN A 908 -5.423 -7.288 9.410 1.00 0.00 C ATOM 850 CG GLN A 908 -5.811 -7.599 10.849 1.00 0.00 C ATOM 851 CD GLN A 908 -4.763 -8.388 11.594 1.00 0.00 C ATOM 852 OE1 GLN A 908 -5.093 -9.222 12.439 1.00 0.00 O ATOM 853 NE2 GLN A 908 -3.511 -8.067 11.386 1.00 0.00 N ATOM 0 HA GLN A 908 -6.147 -5.351 9.047 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -5.360 -8.222 8.851 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -4.428 -6.843 9.400 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -5.996 -6.664 11.378 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -6.747 -8.158 10.853 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -3.274 -7.372 10.678 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -2.773 -8.512 11.932 1.00 0.00 H new ATOM 862 N TRP A 909 -5.873 -5.452 6.595 1.00 0.00 N ATOM 863 CA TRP A 909 -5.822 -5.415 5.164 1.00 0.00 C ATOM 864 C TRP A 909 -4.388 -5.453 4.724 1.00 0.00 C ATOM 865 O TRP A 909 -3.555 -4.725 5.257 1.00 0.00 O ATOM 866 CB TRP A 909 -6.535 -4.151 4.639 1.00 0.00 C ATOM 867 CG TRP A 909 -6.570 -4.048 3.143 1.00 0.00 C ATOM 868 CD1 TRP A 909 -7.556 -4.488 2.307 1.00 0.00 C ATOM 869 CD2 TRP A 909 -5.567 -3.466 2.311 1.00 0.00 C ATOM 870 NE1 TRP A 909 -7.214 -4.216 1.003 1.00 0.00 N ATOM 871 CE2 TRP A 909 -5.989 -3.587 0.990 1.00 0.00 C ATOM 872 CE3 TRP A 909 -4.349 -2.859 2.571 1.00 0.00 C ATOM 873 CZ2 TRP A 909 -5.232 -3.123 -0.064 1.00 0.00 C ATOM 874 CZ3 TRP A 909 -3.593 -2.392 1.524 1.00 0.00 C ATOM 875 CH2 TRP A 909 -4.037 -2.527 0.219 1.00 0.00 C ATOM 0 H TRP A 909 -5.595 -4.583 7.050 1.00 0.00 H new ATOM 0 HA TRP A 909 -6.339 -6.281 4.751 1.00 0.00 H new ATOM 0 HB2 TRP A 909 -7.557 -4.139 5.018 1.00 0.00 H new ATOM 0 HB3 TRP A 909 -6.035 -3.270 5.042 1.00 0.00 H new ATOM 0 HD1 TRP A 909 -8.467 -4.976 2.622 1.00 0.00 H new ATOM 0 HE1 TRP A 909 -7.775 -4.443 0.182 1.00 0.00 H new ATOM 0 HE3 TRP A 909 -3.998 -2.754 3.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 -5.574 -3.228 -1.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 -2.644 -1.915 1.720 1.00 0.00 H new ATOM 0 HH2 TRP A 909 -3.426 -2.154 -0.590 1.00 0.00 H new ATOM 886 N PHE A 910 -4.092 -6.304 3.781 1.00 0.00 N ATOM 887 CA PHE A 910 -2.749 -6.433 3.295 1.00 0.00 C ATOM 888 C PHE A 910 -2.744 -6.312 1.794 1.00 0.00 C ATOM 889 O PHE A 910 -3.626 -6.850 1.116 1.00 0.00 O ATOM 890 CB PHE A 910 -2.140 -7.780 3.732 1.00 0.00 C ATOM 891 CG PHE A 910 -2.176 -7.984 5.221 1.00 0.00 C ATOM 892 CD1 PHE A 910 -1.255 -7.361 6.043 1.00 0.00 C ATOM 893 CD2 PHE A 910 -3.153 -8.774 5.798 1.00 0.00 C ATOM 894 CE1 PHE A 910 -1.312 -7.522 7.411 1.00 0.00 C ATOM 895 CE2 PHE A 910 -3.210 -8.941 7.162 1.00 0.00 C ATOM 896 CZ PHE A 910 -2.291 -8.311 7.968 1.00 0.00 C ATOM 0 H PHE A 910 -4.768 -6.922 3.332 1.00 0.00 H new ATOM 0 HA PHE A 910 -2.139 -5.636 3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 910 -2.681 -8.592 3.246 1.00 0.00 H new ATOM 0 HB3 PHE A 910 -1.107 -7.834 3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 910 -0.483 -6.742 5.609 1.00 0.00 H new ATOM 0 HD2 PHE A 910 -3.881 -9.266 5.170 1.00 0.00 H new ATOM 0 HE1 PHE A 910 -0.589 -7.029 8.044 1.00 0.00 H new ATOM 0 HE2 PHE A 910 -3.975 -9.566 7.599 1.00 0.00 H new ATOM 0 HZ PHE A 910 -2.338 -8.436 9.040 1.00 0.00 H new ATOM 906 N CYS A 911 -1.791 -5.590 1.289 1.00 0.00 N ATOM 907 CA CYS A 911 -1.596 -5.390 -0.117 1.00 0.00 C ATOM 908 C CYS A 911 -1.122 -6.685 -0.758 1.00 0.00 C ATOM 909 O CYS A 911 -0.743 -7.593 -0.050 1.00 0.00 O ATOM 910 CB CYS A 911 -0.519 -4.341 -0.226 1.00 0.00 C ATOM 911 SG CYS A 911 0.923 -4.669 0.838 1.00 0.00 S ATOM 0 H CYS A 911 -1.102 -5.106 1.864 1.00 0.00 H new ATOM 0 HA CYS A 911 -2.514 -5.086 -0.619 1.00 0.00 H new ATOM 0 HB2 CYS A 911 -0.189 -4.277 -1.263 1.00 0.00 H new ATOM 0 HB3 CYS A 911 -0.940 -3.370 0.035 1.00 0.00 H new ATOM 0 HG CYS A 911 0.611 -4.431 2.077 1.00 0.00 H new ATOM 916 N PRO A 912 -1.102 -6.787 -2.106 1.00 0.00 N ATOM 917 CA PRO A 912 -0.581 -7.975 -2.822 1.00 0.00 C ATOM 918 C PRO A 912 0.848 -8.366 -2.359 1.00 0.00 C ATOM 919 O PRO A 912 1.280 -9.512 -2.511 1.00 0.00 O ATOM 920 CB PRO A 912 -0.561 -7.519 -4.297 1.00 0.00 C ATOM 921 CG PRO A 912 -0.796 -6.040 -4.255 1.00 0.00 C ATOM 922 CD PRO A 912 -1.631 -5.801 -3.051 1.00 0.00 C ATOM 0 HA PRO A 912 -1.190 -8.860 -2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 912 0.394 -7.753 -4.768 1.00 0.00 H new ATOM 0 HB3 PRO A 912 -1.334 -8.024 -4.876 1.00 0.00 H new ATOM 0 HG2 PRO A 912 0.146 -5.495 -4.193 1.00 0.00 H new ATOM 0 HG3 PRO A 912 -1.303 -5.698 -5.157 1.00 0.00 H new ATOM 0 HD2 PRO A 912 -1.525 -4.782 -2.678 1.00 0.00 H new ATOM 0 HD3 PRO A 912 -2.691 -5.958 -3.253 1.00 0.00 H new ATOM 930 N LYS A 913 1.539 -7.412 -1.756 1.00 0.00 N ATOM 931 CA LYS A 913 2.883 -7.594 -1.260 1.00 0.00 C ATOM 932 C LYS A 913 2.829 -8.330 0.084 1.00 0.00 C ATOM 933 O LYS A 913 3.400 -9.412 0.245 1.00 0.00 O ATOM 934 CB LYS A 913 3.541 -6.232 -1.066 1.00 0.00 C ATOM 935 CG LYS A 913 3.411 -5.293 -2.254 1.00 0.00 C ATOM 936 CD LYS A 913 4.100 -5.800 -3.507 1.00 0.00 C ATOM 937 CE LYS A 913 3.917 -4.795 -4.629 1.00 0.00 C ATOM 938 NZ LYS A 913 4.656 -5.158 -5.854 1.00 0.00 N ATOM 0 H LYS A 913 1.170 -6.474 -1.597 1.00 0.00 H new ATOM 0 HA LYS A 913 3.462 -8.178 -1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 913 3.103 -5.753 -0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 913 4.599 -6.381 -0.851 1.00 0.00 H new ATOM 0 HG2 LYS A 913 2.354 -5.136 -2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 913 3.829 -4.322 -1.987 1.00 0.00 H new ATOM 0 HD2 LYS A 913 5.161 -5.955 -3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 913 3.685 -6.765 -3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 913 2.856 -4.709 -4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 913 4.248 -3.814 -4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 4.591 -4.381 -6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 5.654 -5.330 -5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 4.244 -6.020 -6.265 1.00 0.00 H new ATOM 952 N CYS A 914 2.093 -7.768 1.033 1.00 0.00 N ATOM 953 CA CYS A 914 1.983 -8.365 2.347 1.00 0.00 C ATOM 954 C CYS A 914 0.991 -9.545 2.381 1.00 0.00 C ATOM 955 O CYS A 914 1.024 -10.374 3.281 1.00 0.00 O ATOM 956 CB CYS A 914 1.707 -7.301 3.403 1.00 0.00 C ATOM 957 SG CYS A 914 3.057 -6.077 3.540 1.00 0.00 S ATOM 0 H CYS A 914 1.567 -6.902 0.914 1.00 0.00 H new ATOM 0 HA CYS A 914 2.947 -8.810 2.595 1.00 0.00 H new ATOM 0 HB2 CYS A 914 0.778 -6.786 3.159 1.00 0.00 H new ATOM 0 HB3 CYS A 914 1.560 -7.783 4.369 1.00 0.00 H new ATOM 0 HG CYS A 914 3.201 -5.461 2.404 1.00 0.00 H new ATOM 962 N ALA A 915 0.146 -9.626 1.384 1.00 0.00 N ATOM 963 CA ALA A 915 -0.737 -10.772 1.192 1.00 0.00 C ATOM 964 C ALA A 915 0.106 -11.980 0.851 1.00 0.00 C ATOM 965 O ALA A 915 -0.225 -13.122 1.163 1.00 0.00 O ATOM 966 CB ALA A 915 -1.658 -10.512 0.050 1.00 0.00 C ATOM 0 H ALA A 915 0.043 -8.901 0.674 1.00 0.00 H new ATOM 0 HA ALA A 915 -1.313 -10.942 2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 915 -2.315 -11.370 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 915 -2.257 -9.626 0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 915 -1.076 -10.349 -0.857 1.00 0.00 H new ATOM 972 N ASN A 916 1.193 -11.703 0.198 1.00 0.00 N ATOM 973 CA ASN A 916 2.177 -12.686 -0.155 1.00 0.00 C ATOM 974 C ASN A 916 2.976 -13.115 1.085 1.00 0.00 C ATOM 975 O ASN A 916 3.519 -14.207 1.139 1.00 0.00 O ATOM 976 CB ASN A 916 3.041 -12.132 -1.288 1.00 0.00 C ATOM 977 CG ASN A 916 4.406 -12.730 -1.385 1.00 0.00 C ATOM 978 OD1 ASN A 916 4.618 -13.778 -1.994 1.00 0.00 O ATOM 979 ND2 ASN A 916 5.338 -12.029 -0.828 1.00 0.00 N ATOM 0 H ASN A 916 1.429 -10.761 -0.114 1.00 0.00 H new ATOM 0 HA ASN A 916 1.704 -13.596 -0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 916 2.522 -12.291 -2.233 1.00 0.00 H new ATOM 0 HB3 ASN A 916 3.140 -11.054 -1.157 1.00 0.00 H new ATOM 0 HD21 ASN A 916 6.309 -12.338 -0.881 1.00 0.00 H new ATOM 0 HD22 ASN A 916 5.103 -11.167 -0.336 1.00 0.00 H new ATOM 986 N LYS A 917 2.996 -12.253 2.086 1.00 0.00 N ATOM 987 CA LYS A 917 3.573 -12.587 3.400 1.00 0.00 C ATOM 988 C LYS A 917 2.611 -13.519 4.135 1.00 0.00 C ATOM 989 O LYS A 917 3.033 -14.406 4.882 1.00 0.00 O ATOM 990 CB LYS A 917 3.804 -11.337 4.249 1.00 0.00 C ATOM 991 CG LYS A 917 4.834 -10.369 3.709 1.00 0.00 C ATOM 992 CD LYS A 917 4.807 -9.085 4.517 1.00 0.00 C ATOM 993 CE LYS A 917 5.841 -8.092 4.038 1.00 0.00 C ATOM 994 NZ LYS A 917 5.632 -6.756 4.644 1.00 0.00 N ATOM 0 H LYS A 917 2.619 -11.307 2.025 1.00 0.00 H new ATOM 0 HA LYS A 917 4.538 -13.069 3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 917 2.856 -10.810 4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 917 4.110 -11.648 5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 917 5.827 -10.817 3.755 1.00 0.00 H new ATOM 0 HG3 LYS A 917 4.629 -10.154 2.660 1.00 0.00 H new ATOM 0 HD2 LYS A 917 3.816 -8.636 4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 917 4.984 -9.314 5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 917 6.838 -8.454 4.288 1.00 0.00 H new ATOM 0 HE3 LYS A 917 5.794 -8.012 2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 6.415 -6.127 4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 4.734 -6.357 4.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 5.600 -6.846 5.680 1.00 0.00 H new ATOM 1008 N ILE A 918 1.305 -13.271 3.949 1.00 0.00 N ATOM 1009 CA ILE A 918 0.242 -14.166 4.442 1.00 0.00 C ATOM 1010 C ILE A 918 0.459 -15.512 3.758 1.00 0.00 C ATOM 1011 O ILE A 918 0.372 -16.580 4.374 1.00 0.00 O ATOM 1012 CB ILE A 918 -1.169 -13.613 4.063 1.00 0.00 C ATOM 1013 CG1 ILE A 918 -1.373 -12.190 4.616 1.00 0.00 C ATOM 1014 CG2 ILE A 918 -2.288 -14.541 4.533 1.00 0.00 C ATOM 1015 CD1 ILE A 918 -1.284 -12.080 6.126 1.00 0.00 C ATOM 0 H ILE A 918 0.956 -12.449 3.456 1.00 0.00 H new ATOM 0 HA ILE A 918 0.284 -14.249 5.528 1.00 0.00 H new ATOM 0 HB ILE A 918 -1.215 -13.568 2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 918 -0.626 -11.532 4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 918 -2.349 -11.826 4.295 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -3.253 -14.120 4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -2.168 -15.520 4.068 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -2.242 -14.646 5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 918 -1.440 -11.044 6.425 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -2.049 -12.708 6.582 1.00 0.00 H new ATOM 0 HD13 ILE A 918 -0.299 -12.409 6.457 1.00 0.00 H new