USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=16 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 -153:sc= 0.954 USER MOD Set 1.2: A 873 CYS SG : rot -79:sc= -1.58! USER MOD Set 1.3: A 880 SER OG : rot -137:sc= 1.58 USER MOD Set 1.4: A 882 MET CE :methyl -154:sc= -0.531 (180deg=-1.22) USER MOD Set 1.5: A 893 HIS :FLIP+bothHN:sc= -0.956 F(o=-6,f=-4.4) USER MOD Set 1.6: A 896 CYS SG : rot -148:sc= -3.88! USER MOD Set 2.1: A 885 CYS SG : rot 141:sc= 1.41 USER MOD Set 2.2: A 888 CYS SG : rot -53:sc= -1.4! USER MOD Set 2.3: A 892 TYR OH : rot 61:sc= 1.4 USER MOD Set 2.4: A 911 CYS SG : rot -136:sc= 1.98 USER MOD Set 2.5: A 914 CYS SG : rot 115:sc= -0.785! USER MOD Set 2.6: A 917 LYS NZ :NH3+ 166:sc= 1.81 (180deg=0.703) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -0.125 K(o=-0.12,f=-1.2) USER MOD Single : A 866 GLN : amide:sc=-0.000428 K(o=-0.00043,f=-0.89) USER MOD Single : A 874 ASN : amide:sc= 0.0908 X(o=0.091,f=0.012) USER MOD Single : A 875 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0219) USER MOD Single : A 900 MET CE :methyl 161:sc= -0.102 (180deg=-0.583) USER MOD Single : A 908 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 913 LYS NZ :NH3+ -162:sc= 1.24 (180deg=0.765) USER MOD Single : A 916 ASN : amide:sc= 0.0892 X(o=0.089,f=0) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 857 9.881 4.416 -3.634 1.00 0.00 N ATOM 93 CA TYR A 857 9.016 5.192 -4.459 1.00 0.00 C ATOM 94 C TYR A 857 8.490 6.333 -3.640 1.00 0.00 C ATOM 95 O TYR A 857 7.398 6.277 -3.069 1.00 0.00 O ATOM 96 CB TYR A 857 7.903 4.321 -5.021 1.00 0.00 C ATOM 97 CG TYR A 857 8.419 3.095 -5.719 1.00 0.00 C ATOM 98 CD1 TYR A 857 8.682 1.943 -5.004 1.00 0.00 C ATOM 99 CD2 TYR A 857 8.669 3.096 -7.080 1.00 0.00 C ATOM 100 CE1 TYR A 857 9.174 0.828 -5.614 1.00 0.00 C ATOM 101 CE2 TYR A 857 9.171 1.972 -7.709 1.00 0.00 C ATOM 102 CZ TYR A 857 9.421 0.840 -6.963 1.00 0.00 C ATOM 103 OH TYR A 857 9.920 -0.284 -7.565 1.00 0.00 O ATOM 0 HA TYR A 857 9.555 5.596 -5.316 1.00 0.00 H new ATOM 0 HB2 TYR A 857 7.239 4.020 -4.211 1.00 0.00 H new ATOM 0 HB3 TYR A 857 7.307 4.908 -5.720 1.00 0.00 H new ATOM 0 HD1 TYR A 857 8.494 1.925 -3.941 1.00 0.00 H new ATOM 0 HD2 TYR A 857 8.469 3.986 -7.658 1.00 0.00 H new ATOM 0 HE1 TYR A 857 9.369 -0.063 -5.036 1.00 0.00 H new ATOM 0 HE2 TYR A 857 9.365 1.981 -8.771 1.00 0.00 H new ATOM 0 HH TYR A 857 10.039 -0.116 -8.523 1.00 0.00 H new ATOM 113 N VAL A 858 9.350 7.306 -3.493 1.00 0.00 N ATOM 114 CA VAL A 858 9.120 8.464 -2.673 1.00 0.00 C ATOM 115 C VAL A 858 9.465 9.720 -3.459 1.00 0.00 C ATOM 116 O VAL A 858 10.609 9.893 -3.913 1.00 0.00 O ATOM 117 CB VAL A 858 10.004 8.404 -1.379 1.00 0.00 C ATOM 118 CG1 VAL A 858 9.851 9.669 -0.536 1.00 0.00 C ATOM 119 CG2 VAL A 858 9.663 7.175 -0.534 1.00 0.00 C ATOM 0 H VAL A 858 10.259 7.314 -3.956 1.00 0.00 H new ATOM 0 HA VAL A 858 8.069 8.484 -2.383 1.00 0.00 H new ATOM 0 HB VAL A 858 11.041 8.330 -1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 858 10.478 9.592 0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 858 10.157 10.536 -1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 858 8.809 9.783 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 858 10.292 7.160 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 858 8.615 7.217 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 858 9.839 6.272 -1.118 1.00 0.00 H new ATOM 129 N ILE A 859 8.477 10.552 -3.663 1.00 0.00 N ATOM 130 CA ILE A 859 8.647 11.841 -4.327 1.00 0.00 C ATOM 131 C ILE A 859 8.277 12.896 -3.280 1.00 0.00 C ATOM 132 O ILE A 859 7.670 12.547 -2.275 1.00 0.00 O ATOM 133 CB ILE A 859 7.697 11.955 -5.581 1.00 0.00 C ATOM 134 CG1 ILE A 859 7.897 10.747 -6.507 1.00 0.00 C ATOM 135 CG2 ILE A 859 7.945 13.255 -6.362 1.00 0.00 C ATOM 136 CD1 ILE A 859 6.949 10.709 -7.692 1.00 0.00 C ATOM 0 H ILE A 859 7.517 10.362 -3.374 1.00 0.00 H new ATOM 0 HA ILE A 859 9.666 11.970 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 859 6.670 11.970 -5.217 1.00 0.00 H new ATOM 0 HG12 ILE A 859 8.923 10.752 -6.876 1.00 0.00 H new ATOM 0 HG13 ILE A 859 7.772 9.833 -5.926 1.00 0.00 H new ATOM 0 HG21 ILE A 859 7.273 13.299 -7.219 1.00 0.00 H new ATOM 0 HG22 ILE A 859 7.761 14.111 -5.712 1.00 0.00 H new ATOM 0 HG23 ILE A 859 8.978 13.279 -6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 859 7.156 9.825 -8.296 1.00 0.00 H new ATOM 0 HD12 ILE A 859 5.920 10.671 -7.334 1.00 0.00 H new ATOM 0 HD13 ILE A 859 7.089 11.604 -8.299 1.00 0.00 H new ATOM 148 N ARG A 860 8.649 14.137 -3.462 1.00 0.00 N ATOM 149 CA ARG A 860 8.299 15.146 -2.495 1.00 0.00 C ATOM 150 C ARG A 860 7.055 15.878 -2.936 1.00 0.00 C ATOM 151 O ARG A 860 6.898 16.235 -4.108 1.00 0.00 O ATOM 152 CB ARG A 860 9.430 16.147 -2.272 1.00 0.00 C ATOM 153 CG ARG A 860 10.746 15.510 -1.891 1.00 0.00 C ATOM 154 CD ARG A 860 11.831 16.551 -1.732 1.00 0.00 C ATOM 155 NE ARG A 860 13.162 15.943 -1.636 1.00 0.00 N ATOM 156 CZ ARG A 860 14.250 16.546 -1.144 1.00 0.00 C ATOM 157 NH1 ARG A 860 14.140 17.701 -0.483 1.00 0.00 N ATOM 158 NH2 ARG A 860 15.431 15.967 -1.268 1.00 0.00 N ATOM 0 H ARG A 860 9.188 14.471 -4.261 1.00 0.00 H new ATOM 0 HA ARG A 860 8.114 14.636 -1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 860 9.570 16.730 -3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 860 9.135 16.845 -1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 860 10.629 14.957 -0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 860 11.039 14.789 -2.654 1.00 0.00 H new ATOM 0 HD2 ARG A 860 11.805 17.235 -2.580 1.00 0.00 H new ATOM 0 HD3 ARG A 860 11.637 17.144 -0.838 1.00 0.00 H new ATOM 0 HE ARG A 860 13.266 14.985 -1.971 1.00 0.00 H new ATOM 0 HH11 ARG A 860 13.223 18.128 -0.351 1.00 0.00 H new ATOM 0 HH12 ARG A 860 14.973 18.156 -0.110 1.00 0.00 H new ATOM 0 HH21 ARG A 860 15.510 15.065 -1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 860 16.264 16.422 -0.895 1.00 0.00 H new ATOM 172 N ASP A 861 6.173 16.047 -2.009 1.00 0.00 N ATOM 173 CA ASP A 861 4.947 16.804 -2.186 1.00 0.00 C ATOM 174 C ASP A 861 5.277 18.298 -2.166 1.00 0.00 C ATOM 175 O ASP A 861 6.402 18.682 -1.869 1.00 0.00 O ATOM 176 CB ASP A 861 3.954 16.442 -1.056 1.00 0.00 C ATOM 177 CG ASP A 861 2.676 17.256 -1.035 1.00 0.00 C ATOM 178 OD1 ASP A 861 1.784 17.037 -1.878 1.00 0.00 O ATOM 179 OD2 ASP A 861 2.583 18.183 -0.216 1.00 0.00 O ATOM 0 H ASP A 861 6.274 15.656 -1.072 1.00 0.00 H new ATOM 0 HA ASP A 861 4.485 16.560 -3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 861 3.693 15.388 -1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 861 4.459 16.563 -0.098 1.00 0.00 H new ATOM 184 N GLU A 862 4.298 19.108 -2.425 1.00 0.00 N ATOM 185 CA GLU A 862 4.442 20.546 -2.487 1.00 0.00 C ATOM 186 C GLU A 862 4.732 21.122 -1.102 1.00 0.00 C ATOM 187 O GLU A 862 5.407 22.132 -0.974 1.00 0.00 O ATOM 188 CB GLU A 862 3.179 21.149 -3.056 1.00 0.00 C ATOM 189 CG GLU A 862 2.805 20.565 -4.397 1.00 0.00 C ATOM 190 CD GLU A 862 1.540 21.141 -4.931 1.00 0.00 C ATOM 191 OE1 GLU A 862 0.450 20.650 -4.559 1.00 0.00 O ATOM 192 OE2 GLU A 862 1.604 22.100 -5.732 1.00 0.00 O ATOM 0 H GLU A 862 3.347 18.787 -2.605 1.00 0.00 H new ATOM 0 HA GLU A 862 5.284 20.792 -3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 862 2.359 20.992 -2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 862 3.310 22.226 -3.158 1.00 0.00 H new ATOM 0 HG2 GLU A 862 3.612 20.745 -5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 862 2.698 19.484 -4.303 1.00 0.00 H new ATOM 199 N TRP A 863 4.226 20.462 -0.071 1.00 0.00 N ATOM 200 CA TRP A 863 4.501 20.866 1.304 1.00 0.00 C ATOM 201 C TRP A 863 5.889 20.344 1.708 1.00 0.00 C ATOM 202 O TRP A 863 6.510 20.818 2.657 1.00 0.00 O ATOM 203 CB TRP A 863 3.411 20.296 2.242 1.00 0.00 C ATOM 204 CG TRP A 863 3.549 20.690 3.689 1.00 0.00 C ATOM 205 CD1 TRP A 863 4.275 20.048 4.648 1.00 0.00 C ATOM 206 CD2 TRP A 863 2.932 21.807 4.341 1.00 0.00 C ATOM 207 NE1 TRP A 863 4.165 20.698 5.845 1.00 0.00 N ATOM 208 CE2 TRP A 863 3.341 21.781 5.689 1.00 0.00 C ATOM 209 CE3 TRP A 863 2.081 22.829 3.915 1.00 0.00 C ATOM 210 CZ2 TRP A 863 2.927 22.732 6.610 1.00 0.00 C ATOM 211 CZ3 TRP A 863 1.669 23.773 4.832 1.00 0.00 C ATOM 212 CH2 TRP A 863 2.093 23.721 6.164 1.00 0.00 C ATOM 0 H TRP A 863 3.623 19.644 -0.158 1.00 0.00 H new ATOM 0 HA TRP A 863 4.490 21.953 1.385 1.00 0.00 H new ATOM 0 HB2 TRP A 863 2.436 20.624 1.883 1.00 0.00 H new ATOM 0 HB3 TRP A 863 3.426 19.208 2.174 1.00 0.00 H new ATOM 0 HD1 TRP A 863 4.855 19.152 4.485 1.00 0.00 H new ATOM 0 HE1 TRP A 863 4.622 20.422 6.714 1.00 0.00 H new ATOM 0 HE3 TRP A 863 1.752 22.879 2.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 3.250 22.693 7.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 1.008 24.566 4.516 1.00 0.00 H new ATOM 0 HH2 TRP A 863 1.755 24.478 6.856 1.00 0.00 H new ATOM 223 N GLY A 864 6.391 19.415 0.926 1.00 0.00 N ATOM 224 CA GLY A 864 7.641 18.768 1.232 1.00 0.00 C ATOM 225 C GLY A 864 7.402 17.459 1.927 1.00 0.00 C ATOM 226 O GLY A 864 8.294 16.910 2.594 1.00 0.00 O ATOM 0 H GLY A 864 5.946 19.091 0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 864 8.205 18.601 0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 864 8.247 19.416 1.865 1.00 0.00 H new ATOM 230 N ASN A 865 6.186 16.969 1.788 1.00 0.00 N ATOM 231 CA ASN A 865 5.795 15.677 2.342 1.00 0.00 C ATOM 232 C ASN A 865 6.246 14.585 1.409 1.00 0.00 C ATOM 233 O ASN A 865 6.805 14.859 0.342 1.00 0.00 O ATOM 234 CB ASN A 865 4.262 15.565 2.526 1.00 0.00 C ATOM 235 CG ASN A 865 3.687 16.521 3.543 1.00 0.00 C ATOM 236 OD1 ASN A 865 4.356 16.928 4.485 1.00 0.00 O ATOM 237 ND2 ASN A 865 2.442 16.865 3.380 1.00 0.00 N ATOM 0 H ASN A 865 5.438 17.451 1.289 1.00 0.00 H new ATOM 0 HA ASN A 865 6.265 15.579 3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 865 3.779 15.741 1.565 1.00 0.00 H new ATOM 0 HB3 ASN A 865 4.017 14.545 2.824 1.00 0.00 H new ATOM 0 HD21 ASN A 865 1.995 17.492 4.048 1.00 0.00 H new ATOM 0 HD22 ASN A 865 1.914 16.507 2.584 1.00 0.00 H new ATOM 244 N GLN A 866 6.004 13.376 1.778 1.00 0.00 N ATOM 245 CA GLN A 866 6.361 12.259 0.960 1.00 0.00 C ATOM 246 C GLN A 866 5.186 11.821 0.134 1.00 0.00 C ATOM 247 O GLN A 866 4.084 11.675 0.635 1.00 0.00 O ATOM 248 CB GLN A 866 6.874 11.117 1.816 1.00 0.00 C ATOM 249 CG GLN A 866 8.205 11.419 2.466 1.00 0.00 C ATOM 250 CD GLN A 866 8.611 10.379 3.477 1.00 0.00 C ATOM 251 OE1 GLN A 866 7.768 9.761 4.135 1.00 0.00 O ATOM 252 NE2 GLN A 866 9.890 10.161 3.609 1.00 0.00 N ATOM 0 H GLN A 866 5.552 13.128 2.658 1.00 0.00 H new ATOM 0 HA GLN A 866 7.161 12.563 0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 866 6.140 10.892 2.590 1.00 0.00 H new ATOM 0 HB3 GLN A 866 6.971 10.223 1.200 1.00 0.00 H new ATOM 0 HG2 GLN A 866 8.973 11.489 1.695 1.00 0.00 H new ATOM 0 HG3 GLN A 866 8.153 12.392 2.954 1.00 0.00 H new ATOM 0 HE21 GLN A 866 10.558 10.690 3.049 1.00 0.00 H new ATOM 0 HE22 GLN A 866 10.222 9.461 4.272 1.00 0.00 H new ATOM 261 N ILE A 867 5.413 11.693 -1.125 1.00 0.00 N ATOM 262 CA ILE A 867 4.436 11.190 -2.050 1.00 0.00 C ATOM 263 C ILE A 867 4.632 9.711 -2.164 1.00 0.00 C ATOM 264 O ILE A 867 5.735 9.242 -2.508 1.00 0.00 O ATOM 265 CB ILE A 867 4.590 11.829 -3.459 1.00 0.00 C ATOM 266 CG1 ILE A 867 4.229 13.311 -3.450 1.00 0.00 C ATOM 267 CG2 ILE A 867 3.774 11.082 -4.526 1.00 0.00 C ATOM 268 CD1 ILE A 867 2.770 13.577 -3.150 1.00 0.00 C ATOM 0 H ILE A 867 6.302 11.939 -1.560 1.00 0.00 H new ATOM 0 HA ILE A 867 3.441 11.438 -1.680 1.00 0.00 H new ATOM 0 HB ILE A 867 5.643 11.738 -3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 867 4.843 13.821 -2.708 1.00 0.00 H new ATOM 0 HG13 ILE A 867 4.477 13.743 -4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 867 3.913 11.564 -5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 867 4.112 10.047 -4.584 1.00 0.00 H new ATOM 0 HG23 ILE A 867 2.718 11.104 -4.258 1.00 0.00 H new ATOM 0 HD11 ILE A 867 2.586 14.651 -3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 867 2.149 13.096 -3.906 1.00 0.00 H new ATOM 0 HD13 ILE A 867 2.522 13.176 -2.167 1.00 0.00 H new ATOM 280 N TRP A 868 3.602 8.997 -1.868 1.00 0.00 N ATOM 281 CA TRP A 868 3.626 7.577 -1.939 1.00 0.00 C ATOM 282 C TRP A 868 3.193 7.095 -3.288 1.00 0.00 C ATOM 283 O TRP A 868 2.382 7.740 -3.990 1.00 0.00 O ATOM 284 CB TRP A 868 2.776 6.932 -0.852 1.00 0.00 C ATOM 285 CG TRP A 868 3.384 7.000 0.509 1.00 0.00 C ATOM 286 CD1 TRP A 868 4.247 6.101 1.049 1.00 0.00 C ATOM 287 CD2 TRP A 868 3.169 8.002 1.505 1.00 0.00 C ATOM 288 NE1 TRP A 868 4.586 6.470 2.325 1.00 0.00 N ATOM 289 CE2 TRP A 868 3.938 7.647 2.628 1.00 0.00 C ATOM 290 CE3 TRP A 868 2.402 9.166 1.554 1.00 0.00 C ATOM 291 CZ2 TRP A 868 3.956 8.414 3.784 1.00 0.00 C ATOM 292 CZ3 TRP A 868 2.422 9.926 2.703 1.00 0.00 C ATOM 293 CH2 TRP A 868 3.193 9.548 3.801 1.00 0.00 C ATOM 0 H TRP A 868 2.709 9.387 -1.566 1.00 0.00 H new ATOM 0 HA TRP A 868 4.660 7.274 -1.774 1.00 0.00 H new ATOM 0 HB2 TRP A 868 1.801 7.420 -0.829 1.00 0.00 H new ATOM 0 HB3 TRP A 868 2.604 5.887 -1.111 1.00 0.00 H new ATOM 0 HD1 TRP A 868 4.614 5.220 0.544 1.00 0.00 H new ATOM 0 HE1 TRP A 868 5.213 5.959 2.946 1.00 0.00 H new ATOM 0 HE3 TRP A 868 1.803 9.466 0.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 4.551 8.126 4.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 1.831 10.829 2.754 1.00 0.00 H new ATOM 0 HH2 TRP A 868 3.187 10.166 4.687 1.00 0.00 H new ATOM 304 N ILE A 869 3.749 6.003 -3.655 1.00 0.00 N ATOM 305 CA ILE A 869 3.467 5.351 -4.873 1.00 0.00 C ATOM 306 C ILE A 869 2.993 3.958 -4.552 1.00 0.00 C ATOM 307 O ILE A 869 3.538 3.311 -3.660 1.00 0.00 O ATOM 308 CB ILE A 869 4.731 5.329 -5.794 1.00 0.00 C ATOM 309 CG1 ILE A 869 5.068 6.756 -6.280 1.00 0.00 C ATOM 310 CG2 ILE A 869 4.594 4.354 -6.960 1.00 0.00 C ATOM 311 CD1 ILE A 869 6.259 6.866 -7.214 1.00 0.00 C ATOM 0 H ILE A 869 4.445 5.518 -3.088 1.00 0.00 H new ATOM 0 HA ILE A 869 2.690 5.885 -5.420 1.00 0.00 H new ATOM 0 HB ILE A 869 5.564 4.963 -5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 869 4.193 7.164 -6.786 1.00 0.00 H new ATOM 0 HG13 ILE A 869 5.254 7.383 -5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 869 5.500 4.381 -7.565 1.00 0.00 H new ATOM 0 HG22 ILE A 869 4.444 3.345 -6.575 1.00 0.00 H new ATOM 0 HG23 ILE A 869 3.739 4.639 -7.574 1.00 0.00 H new ATOM 0 HD11 ILE A 869 6.407 7.909 -7.494 1.00 0.00 H new ATOM 0 HD12 ILE A 869 7.152 6.495 -6.710 1.00 0.00 H new ATOM 0 HD13 ILE A 869 6.075 6.273 -8.110 1.00 0.00 H new ATOM 323 N CYS A 870 1.957 3.547 -5.233 1.00 0.00 N ATOM 324 CA CYS A 870 1.386 2.247 -5.105 1.00 0.00 C ATOM 325 C CYS A 870 2.291 1.291 -5.876 1.00 0.00 C ATOM 326 O CYS A 870 2.303 1.315 -7.102 1.00 0.00 O ATOM 327 CB CYS A 870 -0.038 2.316 -5.736 1.00 0.00 C ATOM 328 SG CYS A 870 -1.071 0.810 -5.764 1.00 0.00 S ATOM 0 H CYS A 870 1.476 4.134 -5.914 1.00 0.00 H new ATOM 0 HA CYS A 870 1.303 1.907 -4.073 1.00 0.00 H new ATOM 0 HB2 CYS A 870 -0.596 3.087 -5.205 1.00 0.00 H new ATOM 0 HB3 CYS A 870 0.075 2.656 -6.765 1.00 0.00 H new ATOM 0 HG CYS A 870 -1.901 0.871 -6.763 1.00 0.00 H new ATOM 333 N PRO A 871 3.083 0.442 -5.194 1.00 0.00 N ATOM 334 CA PRO A 871 4.011 -0.454 -5.865 1.00 0.00 C ATOM 335 C PRO A 871 3.303 -1.676 -6.453 1.00 0.00 C ATOM 336 O PRO A 871 3.932 -2.688 -6.770 1.00 0.00 O ATOM 337 CB PRO A 871 4.995 -0.852 -4.769 1.00 0.00 C ATOM 338 CG PRO A 871 4.239 -0.717 -3.491 1.00 0.00 C ATOM 339 CD PRO A 871 3.143 0.297 -3.724 1.00 0.00 C ATOM 0 HA PRO A 871 4.499 0.021 -6.716 1.00 0.00 H new ATOM 0 HB2 PRO A 871 5.349 -1.873 -4.910 1.00 0.00 H new ATOM 0 HB3 PRO A 871 5.873 -0.207 -4.776 1.00 0.00 H new ATOM 0 HG2 PRO A 871 3.818 -1.676 -3.190 1.00 0.00 H new ATOM 0 HG3 PRO A 871 4.899 -0.392 -2.686 1.00 0.00 H new ATOM 0 HD2 PRO A 871 2.191 -0.047 -3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 871 3.371 1.247 -3.240 1.00 0.00 H new ATOM 347 N GLY A 872 1.992 -1.587 -6.547 1.00 0.00 N ATOM 348 CA GLY A 872 1.223 -2.596 -7.200 1.00 0.00 C ATOM 349 C GLY A 872 1.140 -2.287 -8.675 1.00 0.00 C ATOM 350 O GLY A 872 1.089 -3.191 -9.515 1.00 0.00 O ATOM 0 H GLY A 872 1.443 -0.813 -6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 872 1.681 -3.573 -7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 872 0.222 -2.642 -6.770 1.00 0.00 H new ATOM 354 N CYS A 873 1.141 -1.004 -8.990 1.00 0.00 N ATOM 355 CA CYS A 873 1.089 -0.544 -10.351 1.00 0.00 C ATOM 356 C CYS A 873 2.378 0.188 -10.717 1.00 0.00 C ATOM 357 O CYS A 873 2.838 0.123 -11.872 1.00 0.00 O ATOM 358 CB CYS A 873 -0.088 0.404 -10.470 1.00 0.00 C ATOM 359 SG CYS A 873 -0.061 1.695 -9.202 1.00 0.00 S ATOM 0 H CYS A 873 1.178 -0.254 -8.299 1.00 0.00 H new ATOM 0 HA CYS A 873 0.977 -1.390 -11.029 1.00 0.00 H new ATOM 0 HB2 CYS A 873 -0.081 0.867 -11.457 1.00 0.00 H new ATOM 0 HB3 CYS A 873 -1.017 -0.161 -10.390 1.00 0.00 H new ATOM 0 HG CYS A 873 -0.508 1.212 -8.081 1.00 0.00 H new ATOM 364 N ASN A 874 2.951 0.853 -9.696 1.00 0.00 N ATOM 365 CA ASN A 874 4.143 1.724 -9.764 1.00 0.00 C ATOM 366 C ASN A 874 3.726 3.144 -10.111 1.00 0.00 C ATOM 367 O ASN A 874 4.506 3.937 -10.646 1.00 0.00 O ATOM 368 CB ASN A 874 5.272 1.202 -10.695 1.00 0.00 C ATOM 369 CG ASN A 874 5.883 -0.109 -10.221 1.00 0.00 C ATOM 370 OD1 ASN A 874 6.829 -0.121 -9.440 1.00 0.00 O ATOM 371 ND2 ASN A 874 5.360 -1.215 -10.697 1.00 0.00 N ATOM 0 H ASN A 874 2.575 0.795 -8.749 1.00 0.00 H new ATOM 0 HA ASN A 874 4.593 1.713 -8.771 1.00 0.00 H new ATOM 0 HB2 ASN A 874 4.872 1.066 -11.700 1.00 0.00 H new ATOM 0 HB3 ASN A 874 6.056 1.957 -10.763 1.00 0.00 H new ATOM 0 HD21 ASN A 874 5.740 -2.120 -10.419 1.00 0.00 H new ATOM 0 HD22 ASN A 874 4.573 -1.170 -11.345 1.00 0.00 H new ATOM 378 N LYS A 875 2.490 3.473 -9.760 1.00 0.00 N ATOM 379 CA LYS A 875 1.929 4.796 -9.981 1.00 0.00 C ATOM 380 C LYS A 875 1.731 5.555 -8.656 1.00 0.00 C ATOM 381 O LYS A 875 1.320 4.970 -7.645 1.00 0.00 O ATOM 382 CB LYS A 875 0.589 4.670 -10.679 1.00 0.00 C ATOM 383 CG LYS A 875 0.647 4.111 -12.090 1.00 0.00 C ATOM 384 CD LYS A 875 -0.753 3.798 -12.623 1.00 0.00 C ATOM 385 CE LYS A 875 -1.698 4.998 -12.538 1.00 0.00 C ATOM 386 NZ LYS A 875 -1.193 6.163 -13.289 1.00 0.00 N ATOM 0 H LYS A 875 1.845 2.823 -9.311 1.00 0.00 H new ATOM 0 HA LYS A 875 2.631 5.356 -10.599 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -0.057 4.031 -10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 875 0.121 5.654 -10.714 1.00 0.00 H new ATOM 0 HG2 LYS A 875 1.137 4.829 -12.748 1.00 0.00 H new ATOM 0 HG3 LYS A 875 1.253 3.205 -12.100 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -0.678 3.472 -13.661 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -1.175 2.967 -12.058 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -2.677 4.715 -12.926 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -1.837 5.275 -11.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -1.904 6.921 -13.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -0.314 6.504 -12.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -1.004 5.886 -14.274 1.00 0.00 H new ATOM 400 N PRO A 876 2.047 6.861 -8.649 1.00 0.00 N ATOM 401 CA PRO A 876 1.847 7.735 -7.487 1.00 0.00 C ATOM 402 C PRO A 876 0.396 8.141 -7.293 1.00 0.00 C ATOM 403 O PRO A 876 -0.462 7.896 -8.167 1.00 0.00 O ATOM 404 CB PRO A 876 2.655 8.994 -7.828 1.00 0.00 C ATOM 405 CG PRO A 876 2.758 9.007 -9.315 1.00 0.00 C ATOM 406 CD PRO A 876 2.663 7.577 -9.777 1.00 0.00 C ATOM 0 HA PRO A 876 2.149 7.226 -6.571 1.00 0.00 H new ATOM 0 HB2 PRO A 876 2.158 9.892 -7.461 1.00 0.00 H new ATOM 0 HB3 PRO A 876 3.642 8.965 -7.366 1.00 0.00 H new ATOM 0 HG2 PRO A 876 1.959 9.607 -9.751 1.00 0.00 H new ATOM 0 HG3 PRO A 876 3.701 9.453 -9.632 1.00 0.00 H new ATOM 0 HD2 PRO A 876 2.057 7.492 -10.679 1.00 0.00 H new ATOM 0 HD3 PRO A 876 3.646 7.171 -10.014 1.00 0.00 H new ATOM 414 N ASP A 877 0.143 8.754 -6.142 1.00 0.00 N ATOM 415 CA ASP A 877 -1.151 9.345 -5.789 1.00 0.00 C ATOM 416 C ASP A 877 -1.623 10.286 -6.883 1.00 0.00 C ATOM 417 O ASP A 877 -0.997 11.321 -7.145 1.00 0.00 O ATOM 418 CB ASP A 877 -1.020 10.103 -4.457 1.00 0.00 C ATOM 419 CG ASP A 877 -2.207 10.998 -4.121 1.00 0.00 C ATOM 420 OD1 ASP A 877 -3.370 10.588 -4.312 1.00 0.00 O ATOM 421 OD2 ASP A 877 -1.987 12.106 -3.595 1.00 0.00 O ATOM 0 H ASP A 877 0.845 8.858 -5.409 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.888 8.549 -5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -0.888 9.379 -3.653 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -0.118 10.714 -4.488 1.00 0.00 H new ATOM 426 N ASP A 878 -2.693 9.915 -7.534 1.00 0.00 N ATOM 427 CA ASP A 878 -3.246 10.692 -8.629 1.00 0.00 C ATOM 428 C ASP A 878 -4.525 11.368 -8.206 1.00 0.00 C ATOM 429 O ASP A 878 -5.300 11.843 -9.039 1.00 0.00 O ATOM 430 CB ASP A 878 -3.461 9.820 -9.900 1.00 0.00 C ATOM 431 CG ASP A 878 -4.446 8.669 -9.729 1.00 0.00 C ATOM 432 OD1 ASP A 878 -4.168 7.745 -8.936 1.00 0.00 O ATOM 433 OD2 ASP A 878 -5.511 8.654 -10.400 1.00 0.00 O ATOM 0 H ASP A 878 -3.213 9.063 -7.325 1.00 0.00 H new ATOM 0 HA ASP A 878 -2.522 11.465 -8.889 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -3.811 10.462 -10.708 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -2.499 9.413 -10.211 1.00 0.00 H new ATOM 438 N GLY A 879 -4.721 11.467 -6.902 1.00 0.00 N ATOM 439 CA GLY A 879 -5.906 12.109 -6.387 1.00 0.00 C ATOM 440 C GLY A 879 -7.051 11.153 -6.348 1.00 0.00 C ATOM 441 O GLY A 879 -8.211 11.546 -6.450 1.00 0.00 O ATOM 0 H GLY A 879 -4.080 11.114 -6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -5.712 12.492 -5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -6.162 12.965 -7.011 1.00 0.00 H new ATOM 445 N SER A 880 -6.721 9.909 -6.213 1.00 0.00 N ATOM 446 CA SER A 880 -7.655 8.839 -6.212 1.00 0.00 C ATOM 447 C SER A 880 -7.833 8.299 -4.790 1.00 0.00 C ATOM 448 O SER A 880 -7.065 8.668 -3.878 1.00 0.00 O ATOM 449 CB SER A 880 -7.085 7.775 -7.134 1.00 0.00 C ATOM 450 OG SER A 880 -5.714 7.570 -6.840 1.00 0.00 O ATOM 0 H SER A 880 -5.755 9.603 -6.096 1.00 0.00 H new ATOM 0 HA SER A 880 -8.638 9.160 -6.556 1.00 0.00 H new ATOM 0 HB2 SER A 880 -7.636 6.842 -7.013 1.00 0.00 H new ATOM 0 HB3 SER A 880 -7.202 8.081 -8.174 1.00 0.00 H new ATOM 0 HG SER A 880 -5.207 7.504 -7.676 1.00 0.00 H new ATOM 456 N PRO A 881 -8.852 7.464 -4.547 1.00 0.00 N ATOM 457 CA PRO A 881 -9.018 6.840 -3.263 1.00 0.00 C ATOM 458 C PRO A 881 -7.958 5.754 -3.075 1.00 0.00 C ATOM 459 O PRO A 881 -7.789 4.852 -3.925 1.00 0.00 O ATOM 460 CB PRO A 881 -10.431 6.254 -3.304 1.00 0.00 C ATOM 461 CG PRO A 881 -10.732 6.057 -4.748 1.00 0.00 C ATOM 462 CD PRO A 881 -9.912 7.067 -5.505 1.00 0.00 C ATOM 0 HA PRO A 881 -8.898 7.530 -2.428 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -10.482 5.311 -2.759 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -11.151 6.929 -2.841 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -10.481 5.043 -5.060 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -11.795 6.197 -4.944 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -9.488 6.637 -6.412 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -10.515 7.923 -5.809 1.00 0.00 H new ATOM 470 N MET A 882 -7.203 5.869 -2.017 1.00 0.00 N ATOM 471 CA MET A 882 -6.141 4.941 -1.754 1.00 0.00 C ATOM 472 C MET A 882 -6.352 4.295 -0.400 1.00 0.00 C ATOM 473 O MET A 882 -6.954 4.891 0.495 1.00 0.00 O ATOM 474 CB MET A 882 -4.759 5.627 -1.844 1.00 0.00 C ATOM 475 CG MET A 882 -4.500 6.321 -3.187 1.00 0.00 C ATOM 476 SD MET A 882 -2.824 6.976 -3.363 1.00 0.00 S ATOM 477 CE MET A 882 -1.873 5.473 -3.553 1.00 0.00 C ATOM 0 H MET A 882 -7.306 6.604 -1.318 1.00 0.00 H new ATOM 0 HA MET A 882 -6.158 4.163 -2.518 1.00 0.00 H new ATOM 0 HB2 MET A 882 -4.676 6.362 -1.043 1.00 0.00 H new ATOM 0 HB3 MET A 882 -3.982 4.882 -1.675 1.00 0.00 H new ATOM 0 HG2 MET A 882 -4.689 5.612 -3.993 1.00 0.00 H new ATOM 0 HG3 MET A 882 -5.213 7.137 -3.306 1.00 0.00 H new ATOM 0 HE1 MET A 882 -0.850 5.645 -3.217 1.00 0.00 H new ATOM 0 HE2 MET A 882 -2.323 4.680 -2.956 1.00 0.00 H new ATOM 0 HE3 MET A 882 -1.865 5.177 -4.602 1.00 0.00 H new ATOM 487 N ILE A 883 -5.889 3.094 -0.265 1.00 0.00 N ATOM 488 CA ILE A 883 -6.059 2.315 0.931 1.00 0.00 C ATOM 489 C ILE A 883 -4.681 2.022 1.529 1.00 0.00 C ATOM 490 O ILE A 883 -3.681 1.969 0.795 1.00 0.00 O ATOM 491 CB ILE A 883 -6.840 0.983 0.619 1.00 0.00 C ATOM 492 CG1 ILE A 883 -7.115 0.179 1.903 1.00 0.00 C ATOM 493 CG2 ILE A 883 -6.112 0.141 -0.435 1.00 0.00 C ATOM 494 CD1 ILE A 883 -8.064 -0.985 1.710 1.00 0.00 C ATOM 0 H ILE A 883 -5.369 2.611 -0.998 1.00 0.00 H new ATOM 0 HA ILE A 883 -6.651 2.875 1.655 1.00 0.00 H new ATOM 0 HB ILE A 883 -7.807 1.259 0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 883 -6.169 -0.197 2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 883 -7.527 0.849 2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 883 -6.678 -0.771 -0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 883 -6.022 0.713 -1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 883 -5.118 -0.119 -0.070 1.00 0.00 H new ATOM 0 HD11 ILE A 883 -8.206 -1.500 2.660 1.00 0.00 H new ATOM 0 HD12 ILE A 883 -9.024 -0.616 1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 883 -7.646 -1.678 0.980 1.00 0.00 H new ATOM 506 N GLY A 884 -4.619 1.914 2.832 1.00 0.00 N ATOM 507 CA GLY A 884 -3.378 1.618 3.491 1.00 0.00 C ATOM 508 C GLY A 884 -3.352 0.219 4.087 1.00 0.00 C ATOM 509 O GLY A 884 -4.407 -0.351 4.400 1.00 0.00 O ATOM 0 H GLY A 884 -5.417 2.027 3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 884 -2.559 1.721 2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 884 -3.207 2.349 4.281 1.00 0.00 H new ATOM 513 N CYS A 885 -2.159 -0.281 4.281 1.00 0.00 N ATOM 514 CA CYS A 885 -1.864 -1.588 4.805 1.00 0.00 C ATOM 515 C CYS A 885 -1.716 -1.467 6.321 1.00 0.00 C ATOM 516 O CYS A 885 -2.002 -0.411 6.924 1.00 0.00 O ATOM 517 CB CYS A 885 -0.514 -2.115 4.153 1.00 0.00 C ATOM 518 SG CYS A 885 0.016 -3.814 4.581 1.00 0.00 S ATOM 0 H CYS A 885 -1.315 0.248 4.063 1.00 0.00 H new ATOM 0 HA CYS A 885 -2.661 -2.293 4.571 1.00 0.00 H new ATOM 0 HB2 CYS A 885 -0.617 -2.056 3.069 1.00 0.00 H new ATOM 0 HB3 CYS A 885 0.286 -1.431 4.434 1.00 0.00 H new ATOM 0 HG CYS A 885 0.502 -4.396 3.525 1.00 0.00 H new ATOM 523 N ASP A 886 -1.272 -2.512 6.914 1.00 0.00 N ATOM 524 CA ASP A 886 -1.035 -2.563 8.343 1.00 0.00 C ATOM 525 C ASP A 886 0.417 -2.878 8.614 1.00 0.00 C ATOM 526 O ASP A 886 0.975 -2.507 9.663 1.00 0.00 O ATOM 527 CB ASP A 886 -1.930 -3.647 8.998 1.00 0.00 C ATOM 528 CG ASP A 886 -1.559 -3.961 10.452 1.00 0.00 C ATOM 529 OD1 ASP A 886 -1.957 -3.213 11.375 1.00 0.00 O ATOM 530 OD2 ASP A 886 -0.849 -4.969 10.708 1.00 0.00 O ATOM 0 H ASP A 886 -1.053 -3.382 6.428 1.00 0.00 H new ATOM 0 HA ASP A 886 -1.281 -1.591 8.771 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -2.969 -3.318 8.961 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -1.864 -4.563 8.410 1.00 0.00 H new ATOM 535 N ASP A 887 1.058 -3.494 7.655 1.00 0.00 N ATOM 536 CA ASP A 887 2.355 -4.075 7.921 1.00 0.00 C ATOM 537 C ASP A 887 3.525 -3.251 7.397 1.00 0.00 C ATOM 538 O ASP A 887 4.635 -3.319 7.954 1.00 0.00 O ATOM 539 CB ASP A 887 2.399 -5.480 7.354 1.00 0.00 C ATOM 540 CG ASP A 887 3.394 -6.361 8.060 1.00 0.00 C ATOM 541 OD1 ASP A 887 3.063 -6.871 9.155 1.00 0.00 O ATOM 542 OD2 ASP A 887 4.508 -6.577 7.557 1.00 0.00 O ATOM 0 H ASP A 887 0.716 -3.607 6.701 1.00 0.00 H new ATOM 0 HA ASP A 887 2.475 -4.094 9.004 1.00 0.00 H new ATOM 0 HB2 ASP A 887 1.408 -5.928 7.427 1.00 0.00 H new ATOM 0 HB3 ASP A 887 2.650 -5.432 6.294 1.00 0.00 H new ATOM 547 N CYS A 888 3.302 -2.442 6.381 1.00 0.00 N ATOM 548 CA CYS A 888 4.407 -1.723 5.773 1.00 0.00 C ATOM 549 C CYS A 888 4.259 -0.172 5.856 1.00 0.00 C ATOM 550 O CYS A 888 3.772 0.371 6.863 1.00 0.00 O ATOM 551 CB CYS A 888 4.620 -2.247 4.324 1.00 0.00 C ATOM 552 SG CYS A 888 3.182 -2.180 3.206 1.00 0.00 S ATOM 0 H CYS A 888 2.387 -2.267 5.965 1.00 0.00 H new ATOM 0 HA CYS A 888 5.309 -1.926 6.350 1.00 0.00 H new ATOM 0 HB2 CYS A 888 5.429 -1.674 3.871 1.00 0.00 H new ATOM 0 HB3 CYS A 888 4.956 -3.282 4.383 1.00 0.00 H new ATOM 0 HG CYS A 888 2.166 -2.763 3.770 1.00 0.00 H new ATOM 557 N ASP A 889 4.703 0.490 4.816 1.00 0.00 N ATOM 558 CA ASP A 889 4.713 1.956 4.675 1.00 0.00 C ATOM 559 C ASP A 889 4.089 2.169 3.345 1.00 0.00 C ATOM 560 O ASP A 889 4.736 2.122 2.298 1.00 0.00 O ATOM 561 CB ASP A 889 6.137 2.526 4.691 1.00 0.00 C ATOM 562 CG ASP A 889 6.149 4.039 4.784 1.00 0.00 C ATOM 563 OD1 ASP A 889 6.119 4.566 5.924 1.00 0.00 O ATOM 564 OD2 ASP A 889 6.212 4.740 3.743 1.00 0.00 O ATOM 0 H ASP A 889 5.088 0.016 3.999 1.00 0.00 H new ATOM 0 HA ASP A 889 4.193 2.454 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 889 6.684 2.108 5.536 1.00 0.00 H new ATOM 0 HB3 ASP A 889 6.661 2.215 3.787 1.00 0.00 H new ATOM 569 N ASP A 890 2.836 2.236 3.391 1.00 0.00 N ATOM 570 CA ASP A 890 2.019 2.011 2.256 1.00 0.00 C ATOM 571 C ASP A 890 0.989 3.066 1.950 1.00 0.00 C ATOM 572 O ASP A 890 0.613 3.857 2.796 1.00 0.00 O ATOM 573 CB ASP A 890 1.272 0.755 2.587 1.00 0.00 C ATOM 574 CG ASP A 890 0.668 0.871 3.981 1.00 0.00 C ATOM 575 OD1 ASP A 890 -0.342 1.558 4.145 1.00 0.00 O ATOM 576 OD2 ASP A 890 1.224 0.314 4.938 1.00 0.00 O ATOM 0 H ASP A 890 2.315 2.455 4.240 1.00 0.00 H new ATOM 0 HA ASP A 890 2.667 1.988 1.380 1.00 0.00 H new ATOM 0 HB2 ASP A 890 0.485 0.583 1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 890 1.944 -0.102 2.541 1.00 0.00 H new ATOM 581 N TRP A 891 0.605 3.056 0.691 1.00 0.00 N ATOM 582 CA TRP A 891 -0.597 3.637 0.122 1.00 0.00 C ATOM 583 C TRP A 891 -0.802 2.972 -1.201 1.00 0.00 C ATOM 584 O TRP A 891 0.052 3.064 -2.075 1.00 0.00 O ATOM 585 CB TRP A 891 -0.561 5.155 -0.077 1.00 0.00 C ATOM 586 CG TRP A 891 -0.818 5.937 1.151 1.00 0.00 C ATOM 587 CD1 TRP A 891 0.083 6.636 1.848 1.00 0.00 C ATOM 588 CD2 TRP A 891 -2.066 6.079 1.842 1.00 0.00 C ATOM 589 NE1 TRP A 891 -0.506 7.237 2.927 1.00 0.00 N ATOM 590 CE2 TRP A 891 -1.828 6.908 2.950 1.00 0.00 C ATOM 591 CE3 TRP A 891 -3.362 5.590 1.632 1.00 0.00 C ATOM 592 CZ2 TRP A 891 -2.830 7.264 3.840 1.00 0.00 C ATOM 593 CZ3 TRP A 891 -4.354 5.944 2.519 1.00 0.00 C ATOM 594 CH2 TRP A 891 -4.080 6.773 3.610 1.00 0.00 C ATOM 0 H TRP A 891 1.174 2.602 -0.024 1.00 0.00 H new ATOM 0 HA TRP A 891 -1.409 3.471 0.830 1.00 0.00 H new ATOM 0 HB2 TRP A 891 0.415 5.434 -0.474 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -1.301 5.429 -0.829 1.00 0.00 H new ATOM 0 HD1 TRP A 891 1.130 6.715 1.595 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -0.032 7.835 3.604 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -3.579 4.948 0.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -2.627 7.907 4.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -5.358 5.576 2.369 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -4.880 7.031 4.288 1.00 0.00 H new ATOM 605 N TYR A 892 -1.887 2.275 -1.341 1.00 0.00 N ATOM 606 CA TYR A 892 -2.188 1.575 -2.569 1.00 0.00 C ATOM 607 C TYR A 892 -3.474 2.092 -3.125 1.00 0.00 C ATOM 608 O TYR A 892 -4.351 2.490 -2.378 1.00 0.00 O ATOM 609 CB TYR A 892 -2.284 0.064 -2.336 1.00 0.00 C ATOM 610 CG TYR A 892 -0.979 -0.598 -1.934 1.00 0.00 C ATOM 611 CD1 TYR A 892 -0.499 -0.503 -0.638 1.00 0.00 C ATOM 612 CD2 TYR A 892 -0.241 -1.333 -2.852 1.00 0.00 C ATOM 613 CE1 TYR A 892 0.668 -1.120 -0.265 1.00 0.00 C ATOM 614 CE2 TYR A 892 0.935 -1.954 -2.486 1.00 0.00 C ATOM 615 CZ TYR A 892 1.384 -1.844 -1.189 1.00 0.00 C ATOM 616 OH TYR A 892 2.533 -2.485 -0.797 1.00 0.00 O ATOM 0 H TYR A 892 -2.594 2.170 -0.613 1.00 0.00 H new ATOM 0 HA TYR A 892 -1.380 1.751 -3.280 1.00 0.00 H new ATOM 0 HB2 TYR A 892 -3.026 -0.124 -1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 892 -2.650 -0.408 -3.248 1.00 0.00 H new ATOM 0 HD1 TYR A 892 -1.054 0.067 0.092 1.00 0.00 H new ATOM 0 HD2 TYR A 892 -0.593 -1.420 -3.869 1.00 0.00 H new ATOM 0 HE1 TYR A 892 1.023 -1.037 0.751 1.00 0.00 H new ATOM 0 HE2 TYR A 892 1.499 -2.522 -3.211 1.00 0.00 H new ATOM 0 HH TYR A 892 2.319 -3.148 -0.108 1.00 0.00 H new ATOM 626 N HIS A 893 -3.596 2.100 -4.409 1.00 0.00 N ATOM 627 CA HIS A 893 -4.796 2.628 -5.047 1.00 0.00 C ATOM 628 C HIS A 893 -5.940 1.643 -4.944 1.00 0.00 C ATOM 629 O HIS A 893 -5.739 0.434 -5.095 1.00 0.00 O ATOM 630 CB HIS A 893 -4.565 2.942 -6.523 1.00 0.00 C ATOM 631 CG HIS A 893 -3.590 4.027 -6.824 1.00 0.00 C ATOM 632 ND1 HIS A 893 -3.751 5.351 -6.747 1.00 0.00 N flip ATOM 633 CD2 HIS A 893 -2.352 3.753 -7.357 1.00 0.00 C flip ATOM 634 CE1 HIS A 893 -2.617 5.929 -7.245 1.00 0.00 C flip ATOM 635 NE2 HIS A 893 -1.803 4.943 -7.597 1.00 0.00 N flip ATOM 0 H HIS A 893 -2.888 1.750 -5.055 1.00 0.00 H new ATOM 0 HA HIS A 893 -5.045 3.549 -4.521 1.00 0.00 H new ATOM 0 HB2 HIS A 893 -4.226 2.031 -7.017 1.00 0.00 H new ATOM 0 HB3 HIS A 893 -5.523 3.210 -6.969 1.00 0.00 H new ATOM 0 HD1 HIS A 893 -4.569 5.840 -6.384 1.00 0.00 H new ATOM 0 HD2 HIS A 893 -1.918 2.781 -7.541 1.00 0.00 H new ATOM 0 HE1 HIS A 893 -2.421 6.987 -7.335 1.00 0.00 H new ATOM 0 HE2 HIS A 893 -0.876 5.078 -8.000 1.00 0.00 H new ATOM 643 N TRP A 894 -7.132 2.156 -4.697 1.00 0.00 N ATOM 644 CA TRP A 894 -8.343 1.338 -4.670 1.00 0.00 C ATOM 645 C TRP A 894 -8.531 0.503 -5.952 1.00 0.00 C ATOM 646 O TRP A 894 -8.698 -0.712 -5.858 1.00 0.00 O ATOM 647 CB TRP A 894 -9.602 2.168 -4.333 1.00 0.00 C ATOM 648 CG TRP A 894 -9.784 2.409 -2.862 1.00 0.00 C ATOM 649 CD1 TRP A 894 -8.857 2.231 -1.883 1.00 0.00 C ATOM 650 CD2 TRP A 894 -10.982 2.840 -2.196 1.00 0.00 C ATOM 651 NE1 TRP A 894 -9.400 2.520 -0.656 1.00 0.00 N ATOM 652 CE2 TRP A 894 -10.693 2.893 -0.818 1.00 0.00 C ATOM 653 CE3 TRP A 894 -12.264 3.187 -2.627 1.00 0.00 C ATOM 654 CZ2 TRP A 894 -11.633 3.262 0.128 1.00 0.00 C ATOM 655 CZ3 TRP A 894 -13.199 3.565 -1.683 1.00 0.00 C ATOM 656 CH2 TRP A 894 -12.877 3.597 -0.320 1.00 0.00 C ATOM 0 H TRP A 894 -7.293 3.146 -4.510 1.00 0.00 H new ATOM 0 HA TRP A 894 -8.204 0.625 -3.858 1.00 0.00 H new ATOM 0 HB2 TRP A 894 -9.543 3.128 -4.846 1.00 0.00 H new ATOM 0 HB3 TRP A 894 -10.481 1.653 -4.720 1.00 0.00 H new ATOM 0 HD1 TRP A 894 -7.839 1.908 -2.047 1.00 0.00 H new ATOM 0 HE1 TRP A 894 -8.909 2.463 0.236 1.00 0.00 H new ATOM 0 HE3 TRP A 894 -12.519 3.160 -3.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 -11.391 3.284 1.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 -14.194 3.840 -2.001 1.00 0.00 H new ATOM 0 HH2 TRP A 894 -13.632 3.894 0.393 1.00 0.00 H new ATOM 667 N PRO A 895 -8.462 1.104 -7.177 1.00 0.00 N ATOM 668 CA PRO A 895 -8.612 0.342 -8.433 1.00 0.00 C ATOM 669 C PRO A 895 -7.465 -0.645 -8.704 1.00 0.00 C ATOM 670 O PRO A 895 -7.550 -1.461 -9.620 1.00 0.00 O ATOM 671 CB PRO A 895 -8.650 1.426 -9.515 1.00 0.00 C ATOM 672 CG PRO A 895 -7.940 2.578 -8.906 1.00 0.00 C ATOM 673 CD PRO A 895 -8.322 2.556 -7.461 1.00 0.00 C ATOM 0 HA PRO A 895 -9.502 -0.287 -8.398 1.00 0.00 H new ATOM 0 HB2 PRO A 895 -8.158 1.093 -10.429 1.00 0.00 H new ATOM 0 HB3 PRO A 895 -9.674 1.686 -9.782 1.00 0.00 H new ATOM 0 HG2 PRO A 895 -6.861 2.485 -9.029 1.00 0.00 H new ATOM 0 HG3 PRO A 895 -8.235 3.516 -9.377 1.00 0.00 H new ATOM 0 HD2 PRO A 895 -7.559 3.019 -6.834 1.00 0.00 H new ATOM 0 HD3 PRO A 895 -9.252 3.095 -7.281 1.00 0.00 H new ATOM 681 N CYS A 896 -6.407 -0.578 -7.925 1.00 0.00 N ATOM 682 CA CYS A 896 -5.299 -1.479 -8.115 1.00 0.00 C ATOM 683 C CYS A 896 -5.511 -2.772 -7.370 1.00 0.00 C ATOM 684 O CYS A 896 -5.229 -3.857 -7.887 1.00 0.00 O ATOM 685 CB CYS A 896 -4.012 -0.818 -7.665 1.00 0.00 C ATOM 686 SG CYS A 896 -3.595 0.634 -8.635 1.00 0.00 S ATOM 0 H CYS A 896 -6.294 0.087 -7.160 1.00 0.00 H new ATOM 0 HA CYS A 896 -5.230 -1.713 -9.177 1.00 0.00 H new ATOM 0 HB2 CYS A 896 -4.103 -0.534 -6.616 1.00 0.00 H new ATOM 0 HB3 CYS A 896 -3.197 -1.539 -7.731 1.00 0.00 H new ATOM 0 HG CYS A 896 -2.302 0.751 -8.707 1.00 0.00 H new ATOM 691 N VAL A 897 -6.045 -2.660 -6.189 1.00 0.00 N ATOM 692 CA VAL A 897 -6.202 -3.811 -5.334 1.00 0.00 C ATOM 693 C VAL A 897 -7.654 -4.276 -5.296 1.00 0.00 C ATOM 694 O VAL A 897 -7.988 -5.301 -4.680 1.00 0.00 O ATOM 695 CB VAL A 897 -5.616 -3.555 -3.918 1.00 0.00 C ATOM 696 CG1 VAL A 897 -4.111 -3.366 -4.003 1.00 0.00 C ATOM 697 CG2 VAL A 897 -6.238 -2.335 -3.294 1.00 0.00 C ATOM 0 H VAL A 897 -6.381 -1.783 -5.791 1.00 0.00 H new ATOM 0 HA VAL A 897 -5.622 -4.629 -5.761 1.00 0.00 H new ATOM 0 HB VAL A 897 -5.841 -4.422 -3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 897 -3.710 -3.187 -3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 897 -3.655 -4.263 -4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 897 -3.887 -2.512 -4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 897 -5.812 -2.176 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 897 -6.038 -1.465 -3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 897 -7.315 -2.480 -3.207 1.00 0.00 H new ATOM 707 N GLY A 898 -8.507 -3.515 -5.964 1.00 0.00 N ATOM 708 CA GLY A 898 -9.883 -3.894 -6.134 1.00 0.00 C ATOM 709 C GLY A 898 -10.774 -3.451 -5.000 1.00 0.00 C ATOM 710 O GLY A 898 -11.499 -4.259 -4.417 1.00 0.00 O ATOM 0 H GLY A 898 -8.258 -2.626 -6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 898 -10.256 -3.469 -7.066 1.00 0.00 H new ATOM 0 HA3 GLY A 898 -9.944 -4.978 -6.231 1.00 0.00 H new ATOM 714 N ILE A 899 -10.736 -2.191 -4.682 1.00 0.00 N ATOM 715 CA ILE A 899 -11.562 -1.662 -3.616 1.00 0.00 C ATOM 716 C ILE A 899 -12.572 -0.705 -4.224 1.00 0.00 C ATOM 717 O ILE A 899 -12.223 0.076 -5.098 1.00 0.00 O ATOM 718 CB ILE A 899 -10.731 -0.849 -2.598 1.00 0.00 C ATOM 719 CG1 ILE A 899 -9.466 -1.592 -2.154 1.00 0.00 C ATOM 720 CG2 ILE A 899 -11.584 -0.489 -1.398 1.00 0.00 C ATOM 721 CD1 ILE A 899 -9.688 -2.825 -1.319 1.00 0.00 C ATOM 0 H ILE A 899 -10.142 -1.501 -5.142 1.00 0.00 H new ATOM 0 HA ILE A 899 -12.033 -2.504 -3.108 1.00 0.00 H new ATOM 0 HB ILE A 899 -10.406 0.064 -3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 899 -8.903 -1.875 -3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 899 -8.841 -0.901 -1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 899 -10.989 0.084 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 899 -12.435 0.109 -1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 899 -11.942 -1.401 -0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 899 -8.726 -3.269 -1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 899 -10.218 -2.555 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 899 -10.281 -3.545 -1.883 1.00 0.00 H new ATOM 733 N MET A 900 -13.805 -0.792 -3.802 1.00 0.00 N ATOM 734 CA MET A 900 -14.822 0.151 -4.236 1.00 0.00 C ATOM 735 C MET A 900 -15.428 0.880 -3.035 1.00 0.00 C ATOM 736 O MET A 900 -16.096 1.898 -3.186 1.00 0.00 O ATOM 737 CB MET A 900 -15.914 -0.532 -5.077 1.00 0.00 C ATOM 738 CG MET A 900 -16.696 -1.620 -4.357 1.00 0.00 C ATOM 739 SD MET A 900 -18.007 -2.329 -5.375 1.00 0.00 S ATOM 740 CE MET A 900 -17.067 -2.980 -6.763 1.00 0.00 C ATOM 0 H MET A 900 -14.139 -1.507 -3.155 1.00 0.00 H new ATOM 0 HA MET A 900 -14.337 0.887 -4.877 1.00 0.00 H new ATOM 0 HB2 MET A 900 -16.614 0.229 -5.423 1.00 0.00 H new ATOM 0 HB3 MET A 900 -15.451 -0.965 -5.963 1.00 0.00 H new ATOM 0 HG2 MET A 900 -16.012 -2.411 -4.051 1.00 0.00 H new ATOM 0 HG3 MET A 900 -17.132 -1.207 -3.448 1.00 0.00 H new ATOM 0 HE1 MET A 900 -17.665 -3.722 -7.292 1.00 0.00 H new ATOM 0 HE2 MET A 900 -16.813 -2.167 -7.443 1.00 0.00 H new ATOM 0 HE3 MET A 900 -16.152 -3.446 -6.396 1.00 0.00 H new ATOM 750 N ALA A 901 -15.194 0.339 -1.851 1.00 0.00 N ATOM 751 CA ALA A 901 -15.649 0.913 -0.590 1.00 0.00 C ATOM 752 C ALA A 901 -14.844 0.275 0.511 1.00 0.00 C ATOM 753 O ALA A 901 -14.673 -0.924 0.466 1.00 0.00 O ATOM 754 CB ALA A 901 -17.130 0.634 -0.361 1.00 0.00 C ATOM 0 H ALA A 901 -14.672 -0.529 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 901 -15.514 1.994 -0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 901 -17.441 1.074 0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 901 -17.712 1.071 -1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 901 -17.297 -0.443 -0.333 1.00 0.00 H new ATOM 760 N ALA A 902 -14.360 1.089 1.473 1.00 0.00 N ATOM 761 CA ALA A 902 -13.484 0.683 2.613 1.00 0.00 C ATOM 762 C ALA A 902 -13.858 -0.680 3.232 1.00 0.00 C ATOM 763 O ALA A 902 -14.796 -0.792 4.034 1.00 0.00 O ATOM 764 CB ALA A 902 -13.479 1.771 3.680 1.00 0.00 C ATOM 0 H ALA A 902 -14.572 2.087 1.485 1.00 0.00 H new ATOM 0 HA ALA A 902 -12.482 0.559 2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -12.838 1.466 4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -13.102 2.699 3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -14.494 1.926 4.046 1.00 0.00 H new ATOM 770 N PRO A 903 -13.165 -1.733 2.804 1.00 0.00 N ATOM 771 CA PRO A 903 -13.438 -3.102 3.224 1.00 0.00 C ATOM 772 C PRO A 903 -12.408 -3.802 4.149 1.00 0.00 C ATOM 773 O PRO A 903 -11.182 -3.633 4.027 1.00 0.00 O ATOM 774 CB PRO A 903 -13.377 -3.800 1.893 1.00 0.00 C ATOM 775 CG PRO A 903 -12.217 -3.127 1.194 1.00 0.00 C ATOM 776 CD PRO A 903 -12.173 -1.698 1.737 1.00 0.00 C ATOM 0 HA PRO A 903 -14.353 -3.126 3.816 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -13.209 -4.871 2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -14.306 -3.681 1.335 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -11.282 -3.650 1.396 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -12.357 -3.130 0.113 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -11.183 -1.437 2.112 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -12.427 -0.965 0.971 1.00 0.00 H new ATOM 845 N GLN A 908 -7.522 -7.992 9.144 1.00 0.00 N ATOM 846 CA GLN A 908 -6.835 -6.770 8.759 1.00 0.00 C ATOM 847 C GLN A 908 -6.556 -6.795 7.258 1.00 0.00 C ATOM 848 O GLN A 908 -6.513 -7.867 6.640 1.00 0.00 O ATOM 849 CB GLN A 908 -5.499 -6.677 9.503 1.00 0.00 C ATOM 850 CG GLN A 908 -5.585 -6.879 11.006 1.00 0.00 C ATOM 851 CD GLN A 908 -4.223 -6.870 11.670 1.00 0.00 C ATOM 852 OE1 GLN A 908 -3.566 -7.911 11.798 1.00 0.00 O ATOM 853 NE2 GLN A 908 -3.792 -5.725 12.101 1.00 0.00 N ATOM 0 HA GLN A 908 -7.461 -5.914 9.009 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -4.818 -7.421 9.090 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -5.059 -5.699 9.308 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -6.203 -6.093 11.440 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -6.081 -7.827 11.214 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -4.361 -4.887 11.978 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -2.885 -5.663 12.563 1.00 0.00 H new ATOM 862 N TRP A 909 -6.324 -5.660 6.692 1.00 0.00 N ATOM 863 CA TRP A 909 -6.107 -5.583 5.266 1.00 0.00 C ATOM 864 C TRP A 909 -4.632 -5.466 4.995 1.00 0.00 C ATOM 865 O TRP A 909 -3.941 -4.663 5.629 1.00 0.00 O ATOM 866 CB TRP A 909 -6.876 -4.409 4.619 1.00 0.00 C ATOM 867 CG TRP A 909 -6.763 -4.370 3.102 1.00 0.00 C ATOM 868 CD1 TRP A 909 -7.606 -4.961 2.198 1.00 0.00 C ATOM 869 CD2 TRP A 909 -5.745 -3.714 2.321 1.00 0.00 C ATOM 870 NE1 TRP A 909 -7.167 -4.712 0.912 1.00 0.00 N ATOM 871 CE2 TRP A 909 -6.031 -3.953 0.968 1.00 0.00 C ATOM 872 CE3 TRP A 909 -4.624 -2.954 2.641 1.00 0.00 C ATOM 873 CZ2 TRP A 909 -5.237 -3.456 -0.057 1.00 0.00 C ATOM 874 CZ3 TRP A 909 -3.835 -2.459 1.623 1.00 0.00 C ATOM 875 CH2 TRP A 909 -4.144 -2.713 0.288 1.00 0.00 C ATOM 0 H TRP A 909 -6.277 -4.767 7.183 1.00 0.00 H new ATOM 0 HA TRP A 909 -6.494 -6.496 4.814 1.00 0.00 H new ATOM 0 HB2 TRP A 909 -7.928 -4.479 4.895 1.00 0.00 H new ATOM 0 HB3 TRP A 909 -6.501 -3.471 5.027 1.00 0.00 H new ATOM 0 HD1 TRP A 909 -8.484 -5.536 2.453 1.00 0.00 H new ATOM 0 HE1 TRP A 909 -7.618 -5.041 0.058 1.00 0.00 H new ATOM 0 HE3 TRP A 909 -4.375 -2.754 3.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 -5.476 -3.650 -1.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 -2.965 -1.866 1.864 1.00 0.00 H new ATOM 0 HH2 TRP A 909 -3.507 -2.315 -0.488 1.00 0.00 H new ATOM 886 N PHE A 910 -4.158 -6.278 4.092 1.00 0.00 N ATOM 887 CA PHE A 910 -2.778 -6.278 3.708 1.00 0.00 C ATOM 888 C PHE A 910 -2.700 -6.187 2.224 1.00 0.00 C ATOM 889 O PHE A 910 -3.506 -6.817 1.508 1.00 0.00 O ATOM 890 CB PHE A 910 -2.063 -7.540 4.208 1.00 0.00 C ATOM 891 CG PHE A 910 -2.143 -7.679 5.686 1.00 0.00 C ATOM 892 CD1 PHE A 910 -1.268 -6.998 6.507 1.00 0.00 C ATOM 893 CD2 PHE A 910 -3.129 -8.452 6.255 1.00 0.00 C ATOM 894 CE1 PHE A 910 -1.383 -7.087 7.873 1.00 0.00 C ATOM 895 CE2 PHE A 910 -3.242 -8.553 7.612 1.00 0.00 C ATOM 896 CZ PHE A 910 -2.376 -7.868 8.424 1.00 0.00 C ATOM 0 H PHE A 910 -4.727 -6.965 3.598 1.00 0.00 H new ATOM 0 HA PHE A 910 -2.278 -5.422 4.161 1.00 0.00 H new ATOM 0 HB2 PHE A 910 -2.506 -8.418 3.737 1.00 0.00 H new ATOM 0 HB3 PHE A 910 -1.017 -7.508 3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 910 -0.487 -6.391 6.073 1.00 0.00 H new ATOM 0 HD2 PHE A 910 -3.822 -8.985 5.621 1.00 0.00 H new ATOM 0 HE1 PHE A 910 -0.699 -6.548 8.512 1.00 0.00 H new ATOM 0 HE2 PHE A 910 -4.013 -9.172 8.045 1.00 0.00 H new ATOM 0 HZ PHE A 910 -2.472 -7.940 9.497 1.00 0.00 H new ATOM 906 N CYS A 911 -1.771 -5.410 1.765 1.00 0.00 N ATOM 907 CA CYS A 911 -1.553 -5.177 0.371 1.00 0.00 C ATOM 908 C CYS A 911 -1.077 -6.447 -0.326 1.00 0.00 C ATOM 909 O CYS A 911 -0.691 -7.397 0.338 1.00 0.00 O ATOM 910 CB CYS A 911 -0.492 -4.100 0.254 1.00 0.00 C ATOM 911 SG CYS A 911 1.114 -4.503 1.001 1.00 0.00 S ATOM 0 H CYS A 911 -1.123 -4.904 2.368 1.00 0.00 H new ATOM 0 HA CYS A 911 -2.483 -4.868 -0.106 1.00 0.00 H new ATOM 0 HB2 CYS A 911 -0.337 -3.880 -0.802 1.00 0.00 H new ATOM 0 HB3 CYS A 911 -0.871 -3.189 0.717 1.00 0.00 H new ATOM 0 HG CYS A 911 1.550 -3.478 1.672 1.00 0.00 H new ATOM 916 N PRO A 912 -1.081 -6.475 -1.678 1.00 0.00 N ATOM 917 CA PRO A 912 -0.554 -7.595 -2.477 1.00 0.00 C ATOM 918 C PRO A 912 0.861 -8.049 -2.029 1.00 0.00 C ATOM 919 O PRO A 912 1.242 -9.209 -2.210 1.00 0.00 O ATOM 920 CB PRO A 912 -0.483 -7.003 -3.909 1.00 0.00 C ATOM 921 CG PRO A 912 -0.810 -5.549 -3.764 1.00 0.00 C ATOM 922 CD PRO A 912 -1.668 -5.458 -2.554 1.00 0.00 C ATOM 0 HA PRO A 912 -1.180 -8.482 -2.381 1.00 0.00 H new ATOM 0 HB2 PRO A 912 0.509 -7.140 -4.340 1.00 0.00 H new ATOM 0 HB3 PRO A 912 -1.191 -7.499 -4.573 1.00 0.00 H new ATOM 0 HG2 PRO A 912 0.095 -4.952 -3.650 1.00 0.00 H new ATOM 0 HG3 PRO A 912 -1.331 -5.173 -4.645 1.00 0.00 H new ATOM 0 HD2 PRO A 912 -1.634 -4.465 -2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 912 -2.713 -5.670 -2.780 1.00 0.00 H new ATOM 930 N LYS A 913 1.603 -7.148 -1.404 1.00 0.00 N ATOM 931 CA LYS A 913 2.957 -7.428 -0.994 1.00 0.00 C ATOM 932 C LYS A 913 2.980 -8.085 0.401 1.00 0.00 C ATOM 933 O LYS A 913 3.721 -9.054 0.629 1.00 0.00 O ATOM 934 CB LYS A 913 3.813 -6.143 -1.052 1.00 0.00 C ATOM 935 CG LYS A 913 3.751 -5.425 -2.408 1.00 0.00 C ATOM 936 CD LYS A 913 4.152 -6.345 -3.560 1.00 0.00 C ATOM 937 CE LYS A 913 3.995 -5.656 -4.902 1.00 0.00 C ATOM 938 NZ LYS A 913 5.018 -4.617 -5.138 1.00 0.00 N ATOM 0 H LYS A 913 1.280 -6.209 -1.171 1.00 0.00 H new ATOM 0 HA LYS A 913 3.398 -8.143 -1.689 1.00 0.00 H new ATOM 0 HB2 LYS A 913 3.479 -5.459 -0.272 1.00 0.00 H new ATOM 0 HB3 LYS A 913 4.850 -6.397 -0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 913 2.740 -5.053 -2.576 1.00 0.00 H new ATOM 0 HG3 LYS A 913 4.411 -4.558 -2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 913 5.187 -6.661 -3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 913 3.538 -7.246 -3.538 1.00 0.00 H new ATOM 0 HE2 LYS A 913 4.051 -6.401 -5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 913 3.005 -5.203 -4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 4.700 -3.983 -5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 5.162 -4.067 -4.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 5.913 -5.068 -5.415 1.00 0.00 H new ATOM 952 N CYS A 914 2.147 -7.594 1.311 1.00 0.00 N ATOM 953 CA CYS A 914 2.064 -8.173 2.640 1.00 0.00 C ATOM 954 C CYS A 914 1.093 -9.365 2.706 1.00 0.00 C ATOM 955 O CYS A 914 1.152 -10.174 3.624 1.00 0.00 O ATOM 956 CB CYS A 914 1.756 -7.103 3.680 1.00 0.00 C ATOM 957 SG CYS A 914 3.079 -5.872 3.854 1.00 0.00 S ATOM 0 H CYS A 914 1.525 -6.802 1.152 1.00 0.00 H new ATOM 0 HA CYS A 914 3.044 -8.585 2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 914 0.831 -6.596 3.407 1.00 0.00 H new ATOM 0 HB3 CYS A 914 1.585 -7.581 4.644 1.00 0.00 H new ATOM 0 HG CYS A 914 2.639 -4.707 3.481 1.00 0.00 H new ATOM 962 N ALA A 915 0.224 -9.475 1.724 1.00 0.00 N ATOM 963 CA ALA A 915 -0.672 -10.629 1.591 1.00 0.00 C ATOM 964 C ALA A 915 0.159 -11.854 1.297 1.00 0.00 C ATOM 965 O ALA A 915 -0.146 -12.963 1.715 1.00 0.00 O ATOM 966 CB ALA A 915 -1.638 -10.401 0.462 1.00 0.00 C ATOM 0 H ALA A 915 0.110 -8.775 0.991 1.00 0.00 H new ATOM 0 HA ALA A 915 -1.233 -10.766 2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 915 -2.300 -11.262 0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 915 -2.230 -9.509 0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 915 -1.086 -10.267 -0.468 1.00 0.00 H new ATOM 972 N ASN A 916 1.234 -11.617 0.592 1.00 0.00 N ATOM 973 CA ASN A 916 2.226 -12.619 0.271 1.00 0.00 C ATOM 974 C ASN A 916 2.891 -13.160 1.546 1.00 0.00 C ATOM 975 O ASN A 916 3.274 -14.318 1.613 1.00 0.00 O ATOM 976 CB ASN A 916 3.232 -12.008 -0.718 1.00 0.00 C ATOM 977 CG ASN A 916 4.650 -12.483 -0.561 1.00 0.00 C ATOM 978 OD1 ASN A 916 5.062 -13.493 -1.120 1.00 0.00 O ATOM 979 ND2 ASN A 916 5.409 -11.710 0.154 1.00 0.00 N ATOM 0 H ASN A 916 1.453 -10.696 0.213 1.00 0.00 H new ATOM 0 HA ASN A 916 1.758 -13.480 -0.206 1.00 0.00 H new ATOM 0 HB2 ASN A 916 2.901 -12.230 -1.733 1.00 0.00 H new ATOM 0 HB3 ASN A 916 3.214 -10.924 -0.607 1.00 0.00 H new ATOM 0 HD21 ASN A 916 6.398 -11.932 0.271 1.00 0.00 H new ATOM 0 HD22 ASN A 916 5.017 -10.880 0.599 1.00 0.00 H new ATOM 986 N LYS A 917 2.953 -12.315 2.562 1.00 0.00 N ATOM 987 CA LYS A 917 3.499 -12.689 3.876 1.00 0.00 C ATOM 988 C LYS A 917 2.564 -13.646 4.575 1.00 0.00 C ATOM 989 O LYS A 917 3.000 -14.543 5.288 1.00 0.00 O ATOM 990 CB LYS A 917 3.712 -11.463 4.752 1.00 0.00 C ATOM 991 CG LYS A 917 4.695 -10.462 4.199 1.00 0.00 C ATOM 992 CD LYS A 917 4.664 -9.192 5.013 1.00 0.00 C ATOM 993 CE LYS A 917 5.632 -8.173 4.475 1.00 0.00 C ATOM 994 NZ LYS A 917 5.450 -6.866 5.120 1.00 0.00 N ATOM 0 H LYS A 917 2.629 -11.349 2.509 1.00 0.00 H new ATOM 0 HA LYS A 917 4.462 -13.171 3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 917 2.753 -10.967 4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 917 4.058 -11.789 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 917 5.700 -10.885 4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 917 4.454 -10.241 3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 917 3.656 -8.778 5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 917 4.909 -9.417 6.051 1.00 0.00 H new ATOM 0 HE2 LYS A 917 6.653 -8.520 4.634 1.00 0.00 H new ATOM 0 HE3 LYS A 917 5.494 -8.071 3.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 6.268 -6.258 4.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 4.584 -6.418 4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 5.370 -6.995 6.149 1.00 0.00 H new ATOM 1008 N ILE A 918 1.270 -13.436 4.370 1.00 0.00 N ATOM 1009 CA ILE A 918 0.243 -14.309 4.917 1.00 0.00 C ATOM 1010 C ILE A 918 0.394 -15.687 4.291 1.00 0.00 C ATOM 1011 O ILE A 918 0.250 -16.711 4.960 1.00 0.00 O ATOM 1012 CB ILE A 918 -1.183 -13.768 4.618 1.00 0.00 C ATOM 1013 CG1 ILE A 918 -1.357 -12.355 5.191 1.00 0.00 C ATOM 1014 CG2 ILE A 918 -2.245 -14.713 5.183 1.00 0.00 C ATOM 1015 CD1 ILE A 918 -2.692 -11.721 4.859 1.00 0.00 C ATOM 0 H ILE A 918 0.905 -12.658 3.821 1.00 0.00 H new ATOM 0 HA ILE A 918 0.367 -14.356 5.999 1.00 0.00 H new ATOM 0 HB ILE A 918 -1.310 -13.716 3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 918 -1.244 -12.396 6.274 1.00 0.00 H new ATOM 0 HG13 ILE A 918 -0.558 -11.718 4.811 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -3.237 -14.318 4.964 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -2.137 -15.697 4.726 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -2.119 -14.799 6.262 1.00 0.00 H new ATOM 0 HD11 ILE A 918 -2.741 -10.724 5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -2.800 -11.647 3.777 1.00 0.00 H new ATOM 0 HD13 ILE A 918 -3.497 -12.335 5.263 1.00 0.00 H new