USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 870 CYS SG : rot -157:sc= 0.895 USER MOD Set 1.2: A 873 CYS SG : rot -72:sc= -1.04! USER MOD Set 1.3: A 880 SER OG : rot 90:sc= 0.431 USER MOD Set 1.4: A 893 HIS : no HD1:sc= -0.974 K(o=-4,f=-4.6) USER MOD Set 1.5: A 896 CYS SG : rot -148:sc= -3.28! USER MOD Set 2.1: A 885 CYS SG : rot 129:sc= 1.84 USER MOD Set 2.2: A 888 CYS SG : rot -55:sc= -0.193 USER MOD Set 2.3: A 892 TYR OH : rot 65:sc= 1.25 USER MOD Set 2.4: A 911 CYS SG : rot -139:sc= 0.921 USER MOD Set 2.5: A 914 CYS SG : rot 144:sc= 0.622 USER MOD Set 2.6: A 917 LYS NZ :NH3+ -154:sc= 1.23 (180deg=0.0514) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -1.02! X(o=-1!,f=-1.1) USER MOD Single : A 866 GLN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 874 ASN :FLIP amide:sc= -0.193 F(o=-0.95,f=-0.19) USER MOD Single : A 875 LYS NZ :NH3+ -163:sc= -0.556 (180deg=-0.98) USER MOD Single : A 882 MET CE :methyl -146:sc= -0.75 (180deg=-1.55) USER MOD Single : A 900 MET CE :methyl 161:sc= -0.134 (180deg=-0.654) USER MOD Single : A 908 GLN : amide:sc= 1.19 K(o=1.2,f=-0.043) USER MOD Single : A 913 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 916 ASN : amide:sc= -0.649 K(o=-0.65,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 857 9.062 4.177 -3.566 1.00 0.00 N ATOM 93 CA TYR A 857 7.648 4.516 -3.614 1.00 0.00 C ATOM 94 C TYR A 857 7.349 5.670 -2.649 1.00 0.00 C ATOM 95 O TYR A 857 6.210 5.907 -2.266 1.00 0.00 O ATOM 96 CB TYR A 857 6.829 3.275 -3.249 1.00 0.00 C ATOM 97 CG TYR A 857 7.195 2.048 -4.063 1.00 0.00 C ATOM 98 CD1 TYR A 857 6.784 1.909 -5.379 1.00 0.00 C ATOM 99 CD2 TYR A 857 7.974 1.041 -3.514 1.00 0.00 C ATOM 100 CE1 TYR A 857 7.136 0.798 -6.123 1.00 0.00 C ATOM 101 CE2 TYR A 857 8.330 -0.068 -4.249 1.00 0.00 C ATOM 102 CZ TYR A 857 7.908 -0.186 -5.550 1.00 0.00 C ATOM 103 OH TYR A 857 8.265 -1.288 -6.283 1.00 0.00 O ATOM 0 HA TYR A 857 7.378 4.841 -4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 857 6.970 3.055 -2.191 1.00 0.00 H new ATOM 0 HB3 TYR A 857 5.771 3.493 -3.391 1.00 0.00 H new ATOM 0 HD1 TYR A 857 6.179 2.681 -5.831 1.00 0.00 H new ATOM 0 HD2 TYR A 857 8.308 1.128 -2.491 1.00 0.00 H new ATOM 0 HE1 TYR A 857 6.807 0.703 -7.147 1.00 0.00 H new ATOM 0 HE2 TYR A 857 8.938 -0.841 -3.804 1.00 0.00 H new ATOM 0 HH TYR A 857 8.811 -1.886 -5.730 1.00 0.00 H new ATOM 113 N VAL A 858 8.395 6.387 -2.283 1.00 0.00 N ATOM 114 CA VAL A 858 8.297 7.505 -1.382 1.00 0.00 C ATOM 115 C VAL A 858 9.056 8.692 -1.952 1.00 0.00 C ATOM 116 O VAL A 858 10.264 8.605 -2.247 1.00 0.00 O ATOM 117 CB VAL A 858 8.861 7.179 0.037 1.00 0.00 C ATOM 118 CG1 VAL A 858 8.736 8.378 0.966 1.00 0.00 C ATOM 119 CG2 VAL A 858 8.159 5.980 0.644 1.00 0.00 C ATOM 0 H VAL A 858 9.343 6.202 -2.610 1.00 0.00 H new ATOM 0 HA VAL A 858 7.238 7.738 -1.277 1.00 0.00 H new ATOM 0 HB VAL A 858 9.918 6.939 -0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 858 9.137 8.122 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 858 9.295 9.218 0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 858 7.686 8.655 1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 858 8.573 5.777 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 858 7.093 6.189 0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 858 8.305 5.110 0.004 1.00 0.00 H new ATOM 129 N ILE A 859 8.346 9.761 -2.146 1.00 0.00 N ATOM 130 CA ILE A 859 8.902 11.024 -2.576 1.00 0.00 C ATOM 131 C ILE A 859 8.449 12.024 -1.522 1.00 0.00 C ATOM 132 O ILE A 859 7.449 11.768 -0.851 1.00 0.00 O ATOM 133 CB ILE A 859 8.344 11.438 -3.988 1.00 0.00 C ATOM 134 CG1 ILE A 859 8.591 10.312 -5.010 1.00 0.00 C ATOM 135 CG2 ILE A 859 8.972 12.750 -4.477 1.00 0.00 C ATOM 136 CD1 ILE A 859 8.023 10.583 -6.393 1.00 0.00 C ATOM 0 H ILE A 859 7.336 9.788 -2.008 1.00 0.00 H new ATOM 0 HA ILE A 859 9.987 10.976 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 859 7.271 11.599 -3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 859 9.665 10.147 -5.098 1.00 0.00 H new ATOM 0 HG13 ILE A 859 8.157 9.389 -4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 859 8.564 13.006 -5.455 1.00 0.00 H new ATOM 0 HG22 ILE A 859 8.746 13.548 -3.769 1.00 0.00 H new ATOM 0 HG23 ILE A 859 10.053 12.629 -4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 859 8.242 9.740 -7.048 1.00 0.00 H new ATOM 0 HD12 ILE A 859 6.944 10.717 -6.323 1.00 0.00 H new ATOM 0 HD13 ILE A 859 8.475 11.487 -6.801 1.00 0.00 H new ATOM 148 N ARG A 860 9.155 13.097 -1.321 1.00 0.00 N ATOM 149 CA ARG A 860 8.726 14.047 -0.329 1.00 0.00 C ATOM 150 C ARG A 860 7.850 15.112 -0.916 1.00 0.00 C ATOM 151 O ARG A 860 8.192 15.752 -1.914 1.00 0.00 O ATOM 152 CB ARG A 860 9.877 14.678 0.441 1.00 0.00 C ATOM 153 CG ARG A 860 10.614 13.719 1.353 1.00 0.00 C ATOM 154 CD ARG A 860 11.756 14.413 2.075 1.00 0.00 C ATOM 155 NE ARG A 860 11.317 15.622 2.787 1.00 0.00 N ATOM 156 CZ ARG A 860 11.590 15.916 4.064 1.00 0.00 C ATOM 157 NH1 ARG A 860 12.292 15.071 4.816 1.00 0.00 N ATOM 158 NH2 ARG A 860 11.162 17.063 4.586 1.00 0.00 N ATOM 0 H ARG A 860 10.013 13.337 -1.817 1.00 0.00 H new ATOM 0 HA ARG A 860 8.141 13.469 0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 860 10.586 15.102 -0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 860 9.490 15.504 1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 860 9.920 13.301 2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 860 11.003 12.885 0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 860 12.207 13.720 2.785 1.00 0.00 H new ATOM 0 HD3 ARG A 860 12.529 14.680 1.354 1.00 0.00 H new ATOM 0 HE ARG A 860 10.757 16.294 2.263 1.00 0.00 H new ATOM 0 HH11 ARG A 860 12.626 14.192 4.420 1.00 0.00 H new ATOM 0 HH12 ARG A 860 12.496 15.302 5.788 1.00 0.00 H new ATOM 0 HH21 ARG A 860 10.627 17.716 4.013 1.00 0.00 H new ATOM 0 HH22 ARG A 860 11.369 17.289 5.559 1.00 0.00 H new ATOM 172 N ASP A 861 6.707 15.244 -0.328 1.00 0.00 N ATOM 173 CA ASP A 861 5.770 16.307 -0.625 1.00 0.00 C ATOM 174 C ASP A 861 6.326 17.624 -0.092 1.00 0.00 C ATOM 175 O ASP A 861 7.305 17.633 0.656 1.00 0.00 O ATOM 176 CB ASP A 861 4.428 15.959 0.040 1.00 0.00 C ATOM 177 CG ASP A 861 3.453 17.084 0.157 1.00 0.00 C ATOM 178 OD1 ASP A 861 2.951 17.566 -0.851 1.00 0.00 O ATOM 179 OD2 ASP A 861 3.253 17.553 1.285 1.00 0.00 O ATOM 0 H ASP A 861 6.378 14.603 0.395 1.00 0.00 H new ATOM 0 HA ASP A 861 5.619 16.413 -1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 861 3.960 15.154 -0.527 1.00 0.00 H new ATOM 0 HB3 ASP A 861 4.628 15.570 1.039 1.00 0.00 H new ATOM 184 N GLU A 862 5.689 18.698 -0.423 1.00 0.00 N ATOM 185 CA GLU A 862 6.125 20.020 -0.020 1.00 0.00 C ATOM 186 C GLU A 862 6.021 20.218 1.493 1.00 0.00 C ATOM 187 O GLU A 862 6.802 20.958 2.085 1.00 0.00 O ATOM 188 CB GLU A 862 5.365 21.107 -0.765 1.00 0.00 C ATOM 189 CG GLU A 862 3.856 21.037 -0.642 1.00 0.00 C ATOM 190 CD GLU A 862 3.195 22.199 -1.319 1.00 0.00 C ATOM 191 OE1 GLU A 862 3.134 22.224 -2.562 1.00 0.00 O ATOM 192 OE2 GLU A 862 2.733 23.131 -0.620 1.00 0.00 O ATOM 0 H GLU A 862 4.839 18.696 -0.987 1.00 0.00 H new ATOM 0 HA GLU A 862 7.178 20.103 -0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 862 5.699 22.078 -0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 862 5.631 21.056 -1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 862 3.497 20.106 -1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 862 3.576 21.021 0.411 1.00 0.00 H new ATOM 199 N TRP A 863 5.084 19.533 2.117 1.00 0.00 N ATOM 200 CA TRP A 863 4.928 19.617 3.557 1.00 0.00 C ATOM 201 C TRP A 863 5.844 18.562 4.198 1.00 0.00 C ATOM 202 O TRP A 863 6.125 18.585 5.393 1.00 0.00 O ATOM 203 CB TRP A 863 3.456 19.380 3.924 1.00 0.00 C ATOM 204 CG TRP A 863 3.094 19.658 5.354 1.00 0.00 C ATOM 205 CD1 TRP A 863 3.172 18.799 6.409 1.00 0.00 C ATOM 206 CD2 TRP A 863 2.574 20.885 5.875 1.00 0.00 C ATOM 207 NE1 TRP A 863 2.732 19.420 7.554 1.00 0.00 N ATOM 208 CE2 TRP A 863 2.365 20.699 7.253 1.00 0.00 C ATOM 209 CE3 TRP A 863 2.270 22.124 5.308 1.00 0.00 C ATOM 210 CZ2 TRP A 863 1.866 21.704 8.069 1.00 0.00 C ATOM 211 CZ3 TRP A 863 1.776 23.121 6.119 1.00 0.00 C ATOM 212 CH2 TRP A 863 1.579 22.906 7.486 1.00 0.00 C ATOM 0 H TRP A 863 4.420 18.913 1.652 1.00 0.00 H new ATOM 0 HA TRP A 863 5.208 20.603 3.926 1.00 0.00 H new ATOM 0 HB2 TRP A 863 2.835 20.004 3.282 1.00 0.00 H new ATOM 0 HB3 TRP A 863 3.206 18.343 3.699 1.00 0.00 H new ATOM 0 HD1 TRP A 863 3.527 17.781 6.354 1.00 0.00 H new ATOM 0 HE1 TRP A 863 2.687 18.993 8.479 1.00 0.00 H new ATOM 0 HE3 TRP A 863 2.420 22.297 4.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 1.710 21.542 9.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 1.537 24.084 5.692 1.00 0.00 H new ATOM 0 HH2 TRP A 863 1.191 23.709 8.096 1.00 0.00 H new ATOM 223 N GLY A 864 6.351 17.683 3.358 1.00 0.00 N ATOM 224 CA GLY A 864 7.209 16.611 3.798 1.00 0.00 C ATOM 225 C GLY A 864 6.453 15.325 3.967 1.00 0.00 C ATOM 226 O GLY A 864 6.944 14.391 4.589 1.00 0.00 O ATOM 0 H GLY A 864 6.178 17.695 2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 864 8.012 16.468 3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 864 7.677 16.885 4.744 1.00 0.00 H new ATOM 230 N ASN A 865 5.247 15.271 3.414 1.00 0.00 N ATOM 231 CA ASN A 865 4.457 14.045 3.461 1.00 0.00 C ATOM 232 C ASN A 865 5.083 13.024 2.537 1.00 0.00 C ATOM 233 O ASN A 865 5.750 13.385 1.551 1.00 0.00 O ATOM 234 CB ASN A 865 2.979 14.253 3.022 1.00 0.00 C ATOM 235 CG ASN A 865 2.170 15.207 3.887 1.00 0.00 C ATOM 236 OD1 ASN A 865 1.574 14.813 4.892 1.00 0.00 O ATOM 237 ND2 ASN A 865 2.083 16.444 3.477 1.00 0.00 N ATOM 0 H ASN A 865 4.798 16.051 2.933 1.00 0.00 H new ATOM 0 HA ASN A 865 4.451 13.710 4.498 1.00 0.00 H new ATOM 0 HB2 ASN A 865 2.971 14.623 1.997 1.00 0.00 H new ATOM 0 HB3 ASN A 865 2.480 13.284 3.015 1.00 0.00 H new ATOM 0 HD21 ASN A 865 1.511 17.113 3.992 1.00 0.00 H new ATOM 0 HD22 ASN A 865 2.588 16.741 2.642 1.00 0.00 H new ATOM 244 N GLN A 866 4.901 11.774 2.846 1.00 0.00 N ATOM 245 CA GLN A 866 5.374 10.710 2.006 1.00 0.00 C ATOM 246 C GLN A 866 4.432 10.574 0.868 1.00 0.00 C ATOM 247 O GLN A 866 3.238 10.316 1.068 1.00 0.00 O ATOM 248 CB GLN A 866 5.479 9.388 2.758 1.00 0.00 C ATOM 249 CG GLN A 866 6.501 9.410 3.864 1.00 0.00 C ATOM 250 CD GLN A 866 6.555 8.120 4.685 1.00 0.00 C ATOM 251 OE1 GLN A 866 6.864 8.136 5.880 1.00 0.00 O ATOM 252 NE2 GLN A 866 6.279 7.000 4.064 1.00 0.00 N ATOM 0 H GLN A 866 4.420 11.461 3.689 1.00 0.00 H new ATOM 0 HA GLN A 866 6.377 10.954 1.657 1.00 0.00 H new ATOM 0 HB2 GLN A 866 4.505 9.139 3.178 1.00 0.00 H new ATOM 0 HB3 GLN A 866 5.734 8.597 2.053 1.00 0.00 H new ATOM 0 HG2 GLN A 866 7.485 9.596 3.433 1.00 0.00 H new ATOM 0 HG3 GLN A 866 6.282 10.244 4.531 1.00 0.00 H new ATOM 0 HE21 GLN A 866 6.026 7.014 3.076 1.00 0.00 H new ATOM 0 HE22 GLN A 866 6.317 6.114 4.569 1.00 0.00 H new ATOM 261 N ILE A 867 4.934 10.824 -0.291 1.00 0.00 N ATOM 262 CA ILE A 867 4.152 10.724 -1.489 1.00 0.00 C ATOM 263 C ILE A 867 3.702 9.321 -1.734 1.00 0.00 C ATOM 264 O ILE A 867 4.499 8.399 -1.920 1.00 0.00 O ATOM 265 CB ILE A 867 4.840 11.344 -2.726 1.00 0.00 C ATOM 266 CG1 ILE A 867 4.888 12.870 -2.581 1.00 0.00 C ATOM 267 CG2 ILE A 867 4.150 10.940 -4.044 1.00 0.00 C ATOM 268 CD1 ILE A 867 3.514 13.529 -2.599 1.00 0.00 C ATOM 0 H ILE A 867 5.903 11.105 -0.443 1.00 0.00 H new ATOM 0 HA ILE A 867 3.261 11.329 -1.322 1.00 0.00 H new ATOM 0 HB ILE A 867 5.856 10.953 -2.773 1.00 0.00 H new ATOM 0 HG12 ILE A 867 5.390 13.122 -1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 867 5.491 13.284 -3.389 1.00 0.00 H new ATOM 0 HG21 ILE A 867 4.671 11.401 -4.883 1.00 0.00 H new ATOM 0 HG22 ILE A 867 4.177 9.856 -4.151 1.00 0.00 H new ATOM 0 HG23 ILE A 867 3.114 11.277 -4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 867 3.626 14.608 -2.492 1.00 0.00 H new ATOM 0 HD12 ILE A 867 3.017 13.308 -3.543 1.00 0.00 H new ATOM 0 HD13 ILE A 867 2.915 13.143 -1.774 1.00 0.00 H new ATOM 280 N TRP A 868 2.428 9.216 -1.652 1.00 0.00 N ATOM 281 CA TRP A 868 1.644 8.035 -1.840 1.00 0.00 C ATOM 282 C TRP A 868 1.862 7.454 -3.219 1.00 0.00 C ATOM 283 O TRP A 868 1.416 8.021 -4.228 1.00 0.00 O ATOM 284 CB TRP A 868 0.144 8.391 -1.651 1.00 0.00 C ATOM 285 CG TRP A 868 -0.101 9.866 -1.387 1.00 0.00 C ATOM 286 CD1 TRP A 868 -0.013 10.887 -2.288 1.00 0.00 C ATOM 287 CD2 TRP A 868 -0.456 10.471 -0.144 1.00 0.00 C ATOM 288 NE1 TRP A 868 -0.275 12.082 -1.678 1.00 0.00 N ATOM 289 CE2 TRP A 868 -0.559 11.857 -0.365 1.00 0.00 C ATOM 290 CE3 TRP A 868 -0.695 9.980 1.128 1.00 0.00 C ATOM 291 CZ2 TRP A 868 -0.889 12.749 0.647 1.00 0.00 C ATOM 292 CZ3 TRP A 868 -1.026 10.862 2.135 1.00 0.00 C ATOM 293 CH2 TRP A 868 -1.122 12.232 1.889 1.00 0.00 C ATOM 0 H TRP A 868 1.846 10.024 -1.432 1.00 0.00 H new ATOM 0 HA TRP A 868 1.948 7.288 -1.107 1.00 0.00 H new ATOM 0 HB2 TRP A 868 -0.407 8.094 -2.543 1.00 0.00 H new ATOM 0 HB3 TRP A 868 -0.257 7.810 -0.820 1.00 0.00 H new ATOM 0 HD1 TRP A 868 0.229 10.768 -3.334 1.00 0.00 H new ATOM 0 HE1 TRP A 868 -0.260 12.995 -2.133 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -0.623 8.921 1.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 -0.959 13.810 0.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -1.214 10.486 3.130 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -1.386 12.897 2.698 1.00 0.00 H new ATOM 304 N ILE A 869 2.590 6.378 -3.262 1.00 0.00 N ATOM 305 CA ILE A 869 2.826 5.634 -4.466 1.00 0.00 C ATOM 306 C ILE A 869 2.462 4.200 -4.203 1.00 0.00 C ATOM 307 O ILE A 869 2.866 3.634 -3.198 1.00 0.00 O ATOM 308 CB ILE A 869 4.303 5.738 -4.994 1.00 0.00 C ATOM 309 CG1 ILE A 869 4.623 7.182 -5.412 1.00 0.00 C ATOM 310 CG2 ILE A 869 4.543 4.777 -6.166 1.00 0.00 C ATOM 311 CD1 ILE A 869 5.986 7.380 -6.038 1.00 0.00 C ATOM 0 H ILE A 869 3.048 5.983 -2.441 1.00 0.00 H new ATOM 0 HA ILE A 869 2.207 6.063 -5.254 1.00 0.00 H new ATOM 0 HB ILE A 869 4.971 5.451 -4.181 1.00 0.00 H new ATOM 0 HG12 ILE A 869 3.863 7.516 -6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 869 4.546 7.824 -4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 869 5.573 4.872 -6.509 1.00 0.00 H new ATOM 0 HG22 ILE A 869 4.362 3.753 -5.840 1.00 0.00 H new ATOM 0 HG23 ILE A 869 3.864 5.023 -6.983 1.00 0.00 H new ATOM 0 HD11 ILE A 869 6.118 8.430 -6.298 1.00 0.00 H new ATOM 0 HD12 ILE A 869 6.759 7.082 -5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 869 6.065 6.770 -6.938 1.00 0.00 H new ATOM 323 N CYS A 870 1.687 3.645 -5.096 1.00 0.00 N ATOM 324 CA CYS A 870 1.216 2.311 -5.001 1.00 0.00 C ATOM 325 C CYS A 870 2.262 1.376 -5.596 1.00 0.00 C ATOM 326 O CYS A 870 2.492 1.396 -6.804 1.00 0.00 O ATOM 327 CB CYS A 870 -0.109 2.241 -5.780 1.00 0.00 C ATOM 328 SG CYS A 870 -0.997 0.659 -5.821 1.00 0.00 S ATOM 0 H CYS A 870 1.363 4.133 -5.931 1.00 0.00 H new ATOM 0 HA CYS A 870 1.047 2.009 -3.967 1.00 0.00 H new ATOM 0 HB2 CYS A 870 -0.781 2.990 -5.361 1.00 0.00 H new ATOM 0 HB3 CYS A 870 0.094 2.536 -6.810 1.00 0.00 H new ATOM 0 HG CYS A 870 -1.785 0.630 -6.855 1.00 0.00 H new ATOM 333 N PRO A 871 2.935 0.569 -4.760 1.00 0.00 N ATOM 334 CA PRO A 871 3.949 -0.398 -5.209 1.00 0.00 C ATOM 335 C PRO A 871 3.408 -1.401 -6.244 1.00 0.00 C ATOM 336 O PRO A 871 4.183 -2.006 -7.000 1.00 0.00 O ATOM 337 CB PRO A 871 4.342 -1.136 -3.921 1.00 0.00 C ATOM 338 CG PRO A 871 4.015 -0.183 -2.828 1.00 0.00 C ATOM 339 CD PRO A 871 2.804 0.576 -3.290 1.00 0.00 C ATOM 0 HA PRO A 871 4.778 0.104 -5.707 1.00 0.00 H new ATOM 0 HB2 PRO A 871 3.787 -2.068 -3.813 1.00 0.00 H new ATOM 0 HB3 PRO A 871 5.401 -1.393 -3.919 1.00 0.00 H new ATOM 0 HG2 PRO A 871 3.812 -0.712 -1.897 1.00 0.00 H new ATOM 0 HG3 PRO A 871 4.849 0.492 -2.636 1.00 0.00 H new ATOM 0 HD2 PRO A 871 1.881 0.095 -2.967 1.00 0.00 H new ATOM 0 HD3 PRO A 871 2.790 1.591 -2.893 1.00 0.00 H new ATOM 347 N GLY A 872 2.090 -1.556 -6.286 1.00 0.00 N ATOM 348 CA GLY A 872 1.467 -2.494 -7.194 1.00 0.00 C ATOM 349 C GLY A 872 1.583 -2.075 -8.652 1.00 0.00 C ATOM 350 O GLY A 872 1.745 -2.924 -9.537 1.00 0.00 O ATOM 0 H GLY A 872 1.436 -1.040 -5.698 1.00 0.00 H new ATOM 0 HA2 GLY A 872 1.925 -3.475 -7.066 1.00 0.00 H new ATOM 0 HA3 GLY A 872 0.414 -2.598 -6.934 1.00 0.00 H new ATOM 354 N CYS A 873 1.507 -0.786 -8.907 1.00 0.00 N ATOM 355 CA CYS A 873 1.572 -0.269 -10.268 1.00 0.00 C ATOM 356 C CYS A 873 2.781 0.657 -10.455 1.00 0.00 C ATOM 357 O CYS A 873 3.110 1.045 -11.585 1.00 0.00 O ATOM 358 CB CYS A 873 0.306 0.514 -10.503 1.00 0.00 C ATOM 359 SG CYS A 873 0.036 1.743 -9.215 1.00 0.00 S ATOM 0 H CYS A 873 1.400 -0.069 -8.189 1.00 0.00 H new ATOM 0 HA CYS A 873 1.676 -1.094 -10.973 1.00 0.00 H new ATOM 0 HB2 CYS A 873 0.358 1.009 -11.473 1.00 0.00 H new ATOM 0 HB3 CYS A 873 -0.543 -0.169 -10.539 1.00 0.00 H new ATOM 0 HG CYS A 873 -0.318 1.148 -8.115 1.00 0.00 H new ATOM 364 N ASN A 874 3.372 1.048 -9.318 1.00 0.00 N ATOM 365 CA ASN A 874 4.530 1.951 -9.230 1.00 0.00 C ATOM 366 C ASN A 874 4.093 3.391 -9.568 1.00 0.00 C ATOM 367 O ASN A 874 4.897 4.248 -9.933 1.00 0.00 O ATOM 368 CB ASN A 874 5.708 1.451 -10.123 1.00 0.00 C ATOM 369 CG ASN A 874 7.022 2.230 -9.960 1.00 0.00 C ATOM 370 OD1 ASN A 874 7.285 2.739 -8.778 1.00 0.00 O flip ATOM 371 ND2 ASN A 874 7.806 2.345 -10.903 1.00 0.00 N flip ATOM 0 H ASN A 874 3.047 0.735 -8.403 1.00 0.00 H new ATOM 0 HA ASN A 874 4.909 1.952 -8.208 1.00 0.00 H new ATOM 0 HB2 ASN A 874 5.895 0.401 -9.897 1.00 0.00 H new ATOM 0 HB3 ASN A 874 5.400 1.502 -11.167 1.00 0.00 H new ATOM 0 HD21 ASN A 874 7.576 1.939 -11.810 1.00 0.00 H new ATOM 0 HD22 ASN A 874 8.686 2.846 -10.777 1.00 0.00 H new ATOM 378 N LYS A 875 2.814 3.671 -9.380 1.00 0.00 N ATOM 379 CA LYS A 875 2.281 4.976 -9.706 1.00 0.00 C ATOM 380 C LYS A 875 1.818 5.742 -8.452 1.00 0.00 C ATOM 381 O LYS A 875 1.249 5.152 -7.521 1.00 0.00 O ATOM 382 CB LYS A 875 1.134 4.840 -10.700 1.00 0.00 C ATOM 383 CG LYS A 875 1.529 4.110 -11.970 1.00 0.00 C ATOM 384 CD LYS A 875 0.334 3.840 -12.865 1.00 0.00 C ATOM 385 CE LYS A 875 0.742 3.048 -14.101 1.00 0.00 C ATOM 386 NZ LYS A 875 1.342 1.733 -13.757 1.00 0.00 N ATOM 0 H LYS A 875 2.131 3.013 -9.005 1.00 0.00 H new ATOM 0 HA LYS A 875 3.085 5.556 -10.160 1.00 0.00 H new ATOM 0 HB2 LYS A 875 0.310 4.308 -10.224 1.00 0.00 H new ATOM 0 HB3 LYS A 875 0.766 5.833 -10.959 1.00 0.00 H new ATOM 0 HG2 LYS A 875 2.264 4.702 -12.515 1.00 0.00 H new ATOM 0 HG3 LYS A 875 2.009 3.166 -11.711 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -0.423 3.287 -12.309 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -0.118 4.784 -13.167 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -0.132 2.892 -14.734 1.00 0.00 H new ATOM 0 HE3 LYS A 875 1.457 3.630 -14.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 1.858 1.361 -14.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 2.000 1.849 -12.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 0.589 1.067 -13.490 1.00 0.00 H new ATOM 400 N PRO A 876 2.119 7.053 -8.403 1.00 0.00 N ATOM 401 CA PRO A 876 1.696 7.960 -7.319 1.00 0.00 C ATOM 402 C PRO A 876 0.204 8.309 -7.367 1.00 0.00 C ATOM 403 O PRO A 876 -0.529 7.903 -8.298 1.00 0.00 O ATOM 404 CB PRO A 876 2.528 9.227 -7.564 1.00 0.00 C ATOM 405 CG PRO A 876 2.819 9.204 -9.018 1.00 0.00 C ATOM 406 CD PRO A 876 2.950 7.757 -9.397 1.00 0.00 C ATOM 0 HA PRO A 876 1.848 7.498 -6.343 1.00 0.00 H new ATOM 0 HB2 PRO A 876 1.977 10.124 -7.284 1.00 0.00 H new ATOM 0 HB3 PRO A 876 3.445 9.220 -6.975 1.00 0.00 H new ATOM 0 HG2 PRO A 876 2.019 9.683 -9.583 1.00 0.00 H new ATOM 0 HG3 PRO A 876 3.737 9.749 -9.240 1.00 0.00 H new ATOM 0 HD2 PRO A 876 2.597 7.577 -10.412 1.00 0.00 H new ATOM 0 HD3 PRO A 876 3.988 7.426 -9.357 1.00 0.00 H new ATOM 414 N ASP A 877 -0.246 9.019 -6.346 1.00 0.00 N ATOM 415 CA ASP A 877 -1.618 9.501 -6.268 1.00 0.00 C ATOM 416 C ASP A 877 -1.895 10.507 -7.367 1.00 0.00 C ATOM 417 O ASP A 877 -1.074 11.383 -7.652 1.00 0.00 O ATOM 418 CB ASP A 877 -1.910 10.150 -4.915 1.00 0.00 C ATOM 419 CG ASP A 877 -3.302 10.753 -4.845 1.00 0.00 C ATOM 420 OD1 ASP A 877 -4.280 10.019 -4.596 1.00 0.00 O ATOM 421 OD2 ASP A 877 -3.448 11.968 -5.049 1.00 0.00 O ATOM 0 H ASP A 877 0.330 9.279 -5.545 1.00 0.00 H new ATOM 0 HA ASP A 877 -2.268 8.635 -6.390 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -1.801 9.404 -4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -1.171 10.928 -4.722 1.00 0.00 H new ATOM 426 N ASP A 878 -3.036 10.372 -7.966 1.00 0.00 N ATOM 427 CA ASP A 878 -3.475 11.244 -9.046 1.00 0.00 C ATOM 428 C ASP A 878 -4.811 11.877 -8.627 1.00 0.00 C ATOM 429 O ASP A 878 -5.603 12.338 -9.435 1.00 0.00 O ATOM 430 CB ASP A 878 -3.627 10.375 -10.323 1.00 0.00 C ATOM 431 CG ASP A 878 -4.076 11.126 -11.568 1.00 0.00 C ATOM 432 OD1 ASP A 878 -3.233 11.742 -12.249 1.00 0.00 O ATOM 433 OD2 ASP A 878 -5.282 11.060 -11.907 1.00 0.00 O ATOM 0 H ASP A 878 -3.710 9.646 -7.725 1.00 0.00 H new ATOM 0 HA ASP A 878 -2.763 12.043 -9.251 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -2.671 9.895 -10.533 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -4.345 9.580 -10.119 1.00 0.00 H new ATOM 438 N GLY A 879 -5.012 11.962 -7.336 1.00 0.00 N ATOM 439 CA GLY A 879 -6.296 12.356 -6.822 1.00 0.00 C ATOM 440 C GLY A 879 -7.147 11.141 -6.842 1.00 0.00 C ATOM 441 O GLY A 879 -8.244 11.117 -7.412 1.00 0.00 O ATOM 0 H GLY A 879 -4.306 11.765 -6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -6.205 12.749 -5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -6.733 13.146 -7.433 1.00 0.00 H new ATOM 445 N SER A 880 -6.616 10.121 -6.252 1.00 0.00 N ATOM 446 CA SER A 880 -7.165 8.821 -6.332 1.00 0.00 C ATOM 447 C SER A 880 -7.453 8.230 -4.955 1.00 0.00 C ATOM 448 O SER A 880 -6.823 8.612 -3.963 1.00 0.00 O ATOM 449 CB SER A 880 -6.170 7.970 -7.119 1.00 0.00 C ATOM 450 OG SER A 880 -4.812 8.275 -6.727 1.00 0.00 O ATOM 0 H SER A 880 -5.767 10.177 -5.689 1.00 0.00 H new ATOM 0 HA SER A 880 -8.131 8.849 -6.836 1.00 0.00 H new ATOM 0 HB2 SER A 880 -6.374 6.913 -6.949 1.00 0.00 H new ATOM 0 HB3 SER A 880 -6.295 8.151 -8.187 1.00 0.00 H new ATOM 0 HG SER A 880 -4.547 7.693 -5.985 1.00 0.00 H new ATOM 456 N PRO A 881 -8.430 7.327 -4.863 1.00 0.00 N ATOM 457 CA PRO A 881 -8.731 6.647 -3.624 1.00 0.00 C ATOM 458 C PRO A 881 -7.635 5.632 -3.304 1.00 0.00 C ATOM 459 O PRO A 881 -7.419 4.651 -4.046 1.00 0.00 O ATOM 460 CB PRO A 881 -10.073 5.959 -3.887 1.00 0.00 C ATOM 461 CG PRO A 881 -10.166 5.813 -5.371 1.00 0.00 C ATOM 462 CD PRO A 881 -9.309 6.896 -5.970 1.00 0.00 C ATOM 0 HA PRO A 881 -8.782 7.319 -2.767 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -10.119 4.988 -3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -10.901 6.553 -3.499 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -9.820 4.828 -5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -11.199 5.909 -5.705 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -8.730 6.522 -6.814 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -9.915 7.723 -6.340 1.00 0.00 H new ATOM 470 N MET A 882 -6.895 5.894 -2.255 1.00 0.00 N ATOM 471 CA MET A 882 -5.822 5.033 -1.889 1.00 0.00 C ATOM 472 C MET A 882 -6.027 4.534 -0.490 1.00 0.00 C ATOM 473 O MET A 882 -6.561 5.254 0.372 1.00 0.00 O ATOM 474 CB MET A 882 -4.452 5.716 -2.056 1.00 0.00 C ATOM 475 CG MET A 882 -4.196 6.222 -3.474 1.00 0.00 C ATOM 476 SD MET A 882 -2.522 6.851 -3.738 1.00 0.00 S ATOM 477 CE MET A 882 -1.573 5.335 -3.729 1.00 0.00 C ATOM 0 H MET A 882 -7.025 6.701 -1.645 1.00 0.00 H new ATOM 0 HA MET A 882 -5.821 4.179 -2.566 1.00 0.00 H new ATOM 0 HB2 MET A 882 -4.385 6.553 -1.362 1.00 0.00 H new ATOM 0 HB3 MET A 882 -3.667 5.011 -1.782 1.00 0.00 H new ATOM 0 HG2 MET A 882 -4.384 5.411 -4.178 1.00 0.00 H new ATOM 0 HG3 MET A 882 -4.911 7.013 -3.701 1.00 0.00 H new ATOM 0 HE1 MET A 882 -0.594 5.521 -3.287 1.00 0.00 H new ATOM 0 HE2 MET A 882 -2.098 4.580 -3.144 1.00 0.00 H new ATOM 0 HE3 MET A 882 -1.447 4.978 -4.751 1.00 0.00 H new ATOM 487 N ILE A 883 -5.645 3.319 -0.279 1.00 0.00 N ATOM 488 CA ILE A 883 -5.819 2.636 0.968 1.00 0.00 C ATOM 489 C ILE A 883 -4.444 2.279 1.563 1.00 0.00 C ATOM 490 O ILE A 883 -3.460 2.153 0.823 1.00 0.00 O ATOM 491 CB ILE A 883 -6.687 1.346 0.765 1.00 0.00 C ATOM 492 CG1 ILE A 883 -6.883 0.621 2.108 1.00 0.00 C ATOM 493 CG2 ILE A 883 -6.084 0.422 -0.319 1.00 0.00 C ATOM 494 CD1 ILE A 883 -7.837 -0.524 2.071 1.00 0.00 C ATOM 0 H ILE A 883 -5.187 2.751 -0.992 1.00 0.00 H new ATOM 0 HA ILE A 883 -6.342 3.292 1.664 1.00 0.00 H new ATOM 0 HB ILE A 883 -7.671 1.642 0.402 1.00 0.00 H new ATOM 0 HG12 ILE A 883 -5.915 0.257 2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 883 -7.233 1.343 2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 883 -6.711 -0.462 -0.433 1.00 0.00 H new ATOM 0 HG22 ILE A 883 -6.035 0.957 -1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 883 -5.080 0.119 -0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 883 -7.908 -0.970 3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 883 -8.820 -0.169 1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 883 -7.481 -1.271 1.362 1.00 0.00 H new ATOM 506 N GLY A 884 -4.377 2.183 2.874 1.00 0.00 N ATOM 507 CA GLY A 884 -3.155 1.805 3.545 1.00 0.00 C ATOM 508 C GLY A 884 -3.215 0.407 4.184 1.00 0.00 C ATOM 509 O GLY A 884 -4.297 -0.086 4.533 1.00 0.00 O ATOM 0 H GLY A 884 -5.163 2.364 3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 884 -2.333 1.834 2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 884 -2.932 2.540 4.318 1.00 0.00 H new ATOM 513 N CYS A 885 -2.041 -0.176 4.367 1.00 0.00 N ATOM 514 CA CYS A 885 -1.814 -1.504 4.925 1.00 0.00 C ATOM 515 C CYS A 885 -1.786 -1.409 6.452 1.00 0.00 C ATOM 516 O CYS A 885 -2.125 -0.370 7.046 1.00 0.00 O ATOM 517 CB CYS A 885 -0.430 -2.066 4.376 1.00 0.00 C ATOM 518 SG CYS A 885 0.050 -3.774 4.862 1.00 0.00 S ATOM 0 H CYS A 885 -1.169 0.290 4.116 1.00 0.00 H new ATOM 0 HA CYS A 885 -2.615 -2.182 4.629 1.00 0.00 H new ATOM 0 HB2 CYS A 885 -0.458 -2.022 3.287 1.00 0.00 H new ATOM 0 HB3 CYS A 885 0.360 -1.390 4.702 1.00 0.00 H new ATOM 0 HG CYS A 885 0.365 -4.455 3.800 1.00 0.00 H new ATOM 523 N ASP A 886 -1.402 -2.468 7.065 1.00 0.00 N ATOM 524 CA ASP A 886 -1.270 -2.534 8.498 1.00 0.00 C ATOM 525 C ASP A 886 0.157 -2.941 8.844 1.00 0.00 C ATOM 526 O ASP A 886 0.607 -2.812 9.987 1.00 0.00 O ATOM 527 CB ASP A 886 -2.287 -3.542 9.074 1.00 0.00 C ATOM 528 CG ASP A 886 -2.254 -3.654 10.591 1.00 0.00 C ATOM 529 OD1 ASP A 886 -2.818 -2.779 11.278 1.00 0.00 O ATOM 530 OD2 ASP A 886 -1.703 -4.651 11.122 1.00 0.00 O ATOM 0 H ASP A 886 -1.163 -3.337 6.588 1.00 0.00 H new ATOM 0 HA ASP A 886 -1.477 -1.559 8.938 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -3.290 -3.249 8.763 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -2.094 -4.524 8.643 1.00 0.00 H new ATOM 535 N ASP A 887 0.894 -3.374 7.838 1.00 0.00 N ATOM 536 CA ASP A 887 2.223 -3.916 8.070 1.00 0.00 C ATOM 537 C ASP A 887 3.369 -3.017 7.613 1.00 0.00 C ATOM 538 O ASP A 887 4.236 -2.673 8.404 1.00 0.00 O ATOM 539 CB ASP A 887 2.368 -5.293 7.407 1.00 0.00 C ATOM 540 CG ASP A 887 3.741 -5.917 7.632 1.00 0.00 C ATOM 541 OD1 ASP A 887 3.967 -6.519 8.698 1.00 0.00 O ATOM 542 OD2 ASP A 887 4.616 -5.827 6.755 1.00 0.00 O ATOM 0 H ASP A 887 0.600 -3.362 6.861 1.00 0.00 H new ATOM 0 HA ASP A 887 2.307 -3.995 9.154 1.00 0.00 H new ATOM 0 HB2 ASP A 887 1.602 -5.962 7.799 1.00 0.00 H new ATOM 0 HB3 ASP A 887 2.189 -5.196 6.336 1.00 0.00 H new ATOM 547 N CYS A 888 3.361 -2.614 6.373 1.00 0.00 N ATOM 548 CA CYS A 888 4.544 -2.033 5.781 1.00 0.00 C ATOM 549 C CYS A 888 4.558 -0.474 5.720 1.00 0.00 C ATOM 550 O CYS A 888 4.231 0.220 6.696 1.00 0.00 O ATOM 551 CB CYS A 888 4.725 -2.682 4.390 1.00 0.00 C ATOM 552 SG CYS A 888 3.265 -2.586 3.296 1.00 0.00 S ATOM 0 H CYS A 888 2.555 -2.675 5.751 1.00 0.00 H new ATOM 0 HA CYS A 888 5.393 -2.250 6.430 1.00 0.00 H new ATOM 0 HB2 CYS A 888 5.567 -2.204 3.890 1.00 0.00 H new ATOM 0 HB3 CYS A 888 4.989 -3.731 4.527 1.00 0.00 H new ATOM 0 HG CYS A 888 2.235 -3.097 3.902 1.00 0.00 H new ATOM 557 N ASP A 889 4.953 0.020 4.567 1.00 0.00 N ATOM 558 CA ASP A 889 5.119 1.436 4.241 1.00 0.00 C ATOM 559 C ASP A 889 4.344 1.583 2.977 1.00 0.00 C ATOM 560 O ASP A 889 4.825 1.314 1.878 1.00 0.00 O ATOM 561 CB ASP A 889 6.607 1.785 4.038 1.00 0.00 C ATOM 562 CG ASP A 889 6.864 3.248 3.728 1.00 0.00 C ATOM 563 OD1 ASP A 889 6.742 4.109 4.637 1.00 0.00 O ATOM 564 OD2 ASP A 889 7.215 3.571 2.585 1.00 0.00 O ATOM 0 H ASP A 889 5.183 -0.585 3.779 1.00 0.00 H new ATOM 0 HA ASP A 889 4.774 2.105 5.029 1.00 0.00 H new ATOM 0 HB2 ASP A 889 7.159 1.513 4.938 1.00 0.00 H new ATOM 0 HB3 ASP A 889 7.004 1.177 3.225 1.00 0.00 H new ATOM 569 N ASP A 890 3.124 1.876 3.162 1.00 0.00 N ATOM 570 CA ASP A 890 2.114 1.634 2.184 1.00 0.00 C ATOM 571 C ASP A 890 1.230 2.801 1.817 1.00 0.00 C ATOM 572 O ASP A 890 1.004 3.689 2.607 1.00 0.00 O ATOM 573 CB ASP A 890 1.220 0.586 2.809 1.00 0.00 C ATOM 574 CG ASP A 890 0.769 1.022 4.213 1.00 0.00 C ATOM 575 OD1 ASP A 890 -0.220 1.741 4.341 1.00 0.00 O ATOM 576 OD2 ASP A 890 1.412 0.669 5.206 1.00 0.00 O ATOM 0 H ASP A 890 2.774 2.304 4.019 1.00 0.00 H new ATOM 0 HA ASP A 890 2.621 1.363 1.258 1.00 0.00 H new ATOM 0 HB2 ASP A 890 0.348 0.421 2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 890 1.753 -0.363 2.871 1.00 0.00 H new ATOM 581 N TRP A 891 0.810 2.767 0.562 1.00 0.00 N ATOM 582 CA TRP A 891 -0.333 3.462 -0.024 1.00 0.00 C ATOM 583 C TRP A 891 -0.656 2.763 -1.312 1.00 0.00 C ATOM 584 O TRP A 891 0.171 2.705 -2.190 1.00 0.00 O ATOM 585 CB TRP A 891 -0.123 4.946 -0.294 1.00 0.00 C ATOM 586 CG TRP A 891 -0.288 5.805 0.896 1.00 0.00 C ATOM 587 CD1 TRP A 891 0.691 6.456 1.544 1.00 0.00 C ATOM 588 CD2 TRP A 891 -1.513 6.084 1.602 1.00 0.00 C ATOM 589 NE1 TRP A 891 0.168 7.162 2.604 1.00 0.00 N ATOM 590 CE2 TRP A 891 -1.185 6.943 2.660 1.00 0.00 C ATOM 591 CE3 TRP A 891 -2.859 5.696 1.435 1.00 0.00 C ATOM 592 CZ2 TRP A 891 -2.139 7.426 3.547 1.00 0.00 C ATOM 593 CZ3 TRP A 891 -3.798 6.175 2.320 1.00 0.00 C ATOM 594 CH2 TRP A 891 -3.435 7.032 3.360 1.00 0.00 C ATOM 0 H TRP A 891 1.300 2.205 -0.135 1.00 0.00 H new ATOM 0 HA TRP A 891 -1.143 3.424 0.704 1.00 0.00 H new ATOM 0 HB2 TRP A 891 0.879 5.092 -0.698 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -0.827 5.268 -1.061 1.00 0.00 H new ATOM 0 HD1 TRP A 891 1.736 6.430 1.273 1.00 0.00 H new ATOM 0 HE1 TRP A 891 0.700 7.752 3.244 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -3.147 5.037 0.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -1.867 8.089 4.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -4.832 5.883 2.208 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -4.197 7.393 4.034 1.00 0.00 H new ATOM 605 N TYR A 892 -1.827 2.198 -1.416 1.00 0.00 N ATOM 606 CA TYR A 892 -2.203 1.458 -2.612 1.00 0.00 C ATOM 607 C TYR A 892 -3.474 2.002 -3.186 1.00 0.00 C ATOM 608 O TYR A 892 -4.317 2.481 -2.454 1.00 0.00 O ATOM 609 CB TYR A 892 -2.381 -0.026 -2.296 1.00 0.00 C ATOM 610 CG TYR A 892 -1.116 -0.724 -1.871 1.00 0.00 C ATOM 611 CD1 TYR A 892 -0.661 -0.642 -0.564 1.00 0.00 C ATOM 612 CD2 TYR A 892 -0.378 -1.469 -2.775 1.00 0.00 C ATOM 613 CE1 TYR A 892 0.488 -1.276 -0.174 1.00 0.00 C ATOM 614 CE2 TYR A 892 0.771 -2.117 -2.389 1.00 0.00 C ATOM 615 CZ TYR A 892 1.200 -2.013 -1.086 1.00 0.00 C ATOM 616 OH TYR A 892 2.316 -2.676 -0.684 1.00 0.00 O ATOM 0 H TYR A 892 -2.545 2.230 -0.692 1.00 0.00 H new ATOM 0 HA TYR A 892 -1.402 1.571 -3.342 1.00 0.00 H new ATOM 0 HB2 TYR A 892 -3.124 -0.131 -1.505 1.00 0.00 H new ATOM 0 HB3 TYR A 892 -2.781 -0.528 -3.177 1.00 0.00 H new ATOM 0 HD1 TYR A 892 -1.222 -0.068 0.159 1.00 0.00 H new ATOM 0 HD2 TYR A 892 -0.711 -1.542 -3.800 1.00 0.00 H new ATOM 0 HE1 TYR A 892 0.832 -1.196 0.847 1.00 0.00 H new ATOM 0 HE2 TYR A 892 1.332 -2.703 -3.102 1.00 0.00 H new ATOM 0 HH TYR A 892 2.068 -3.376 -0.044 1.00 0.00 H new ATOM 626 N HIS A 893 -3.617 1.929 -4.475 1.00 0.00 N ATOM 627 CA HIS A 893 -4.829 2.425 -5.130 1.00 0.00 C ATOM 628 C HIS A 893 -5.929 1.391 -5.018 1.00 0.00 C ATOM 629 O HIS A 893 -5.659 0.184 -5.073 1.00 0.00 O ATOM 630 CB HIS A 893 -4.604 2.733 -6.617 1.00 0.00 C ATOM 631 CG HIS A 893 -3.646 3.838 -6.924 1.00 0.00 C ATOM 632 ND1 HIS A 893 -2.391 3.577 -7.412 1.00 0.00 N ATOM 633 CD2 HIS A 893 -3.823 5.174 -6.852 1.00 0.00 C ATOM 634 CE1 HIS A 893 -1.832 4.773 -7.626 1.00 0.00 C ATOM 635 NE2 HIS A 893 -2.663 5.755 -7.301 1.00 0.00 N ATOM 0 H HIS A 893 -2.921 1.535 -5.108 1.00 0.00 H new ATOM 0 HA HIS A 893 -5.108 3.350 -4.626 1.00 0.00 H new ATOM 0 HB2 HIS A 893 -4.248 1.826 -7.105 1.00 0.00 H new ATOM 0 HB3 HIS A 893 -5.566 2.979 -7.065 1.00 0.00 H new ATOM 0 HD2 HIS A 893 -4.708 5.688 -6.507 1.00 0.00 H new ATOM 0 HE1 HIS A 893 -0.834 4.920 -8.013 1.00 0.00 H new ATOM 0 HE2 HIS A 893 -2.475 6.755 -7.372 1.00 0.00 H new ATOM 643 N TRP A 894 -7.156 1.853 -4.873 1.00 0.00 N ATOM 644 CA TRP A 894 -8.323 0.967 -4.806 1.00 0.00 C ATOM 645 C TRP A 894 -8.419 -0.014 -5.997 1.00 0.00 C ATOM 646 O TRP A 894 -8.522 -1.216 -5.770 1.00 0.00 O ATOM 647 CB TRP A 894 -9.634 1.736 -4.628 1.00 0.00 C ATOM 648 CG TRP A 894 -9.879 2.256 -3.248 1.00 0.00 C ATOM 649 CD1 TRP A 894 -8.977 2.393 -2.233 1.00 0.00 C ATOM 650 CD2 TRP A 894 -11.130 2.716 -2.736 1.00 0.00 C ATOM 651 NE1 TRP A 894 -9.599 2.910 -1.125 1.00 0.00 N ATOM 652 CE2 TRP A 894 -10.919 3.119 -1.410 1.00 0.00 C ATOM 653 CE3 TRP A 894 -12.410 2.827 -3.279 1.00 0.00 C ATOM 654 CZ2 TRP A 894 -11.940 3.624 -0.618 1.00 0.00 C ATOM 655 CZ3 TRP A 894 -13.424 3.331 -2.492 1.00 0.00 C ATOM 656 CH2 TRP A 894 -13.181 3.724 -1.176 1.00 0.00 C ATOM 0 H TRP A 894 -7.381 2.845 -4.798 1.00 0.00 H new ATOM 0 HA TRP A 894 -8.166 0.364 -3.912 1.00 0.00 H new ATOM 0 HB2 TRP A 894 -9.643 2.575 -5.323 1.00 0.00 H new ATOM 0 HB3 TRP A 894 -10.461 1.083 -4.906 1.00 0.00 H new ATOM 0 HD1 TRP A 894 -7.930 2.133 -2.293 1.00 0.00 H new ATOM 0 HE1 TRP A 894 -9.148 3.107 -0.231 1.00 0.00 H new ATOM 0 HE3 TRP A 894 -12.603 2.524 -4.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 -11.759 3.927 0.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 -14.420 3.423 -2.900 1.00 0.00 H new ATOM 0 HH2 TRP A 894 -13.995 4.117 -0.584 1.00 0.00 H new ATOM 667 N PRO A 895 -8.367 0.446 -7.280 1.00 0.00 N ATOM 668 CA PRO A 895 -8.428 -0.464 -8.440 1.00 0.00 C ATOM 669 C PRO A 895 -7.186 -1.376 -8.562 1.00 0.00 C ATOM 670 O PRO A 895 -7.197 -2.349 -9.316 1.00 0.00 O ATOM 671 CB PRO A 895 -8.505 0.486 -9.645 1.00 0.00 C ATOM 672 CG PRO A 895 -7.904 1.753 -9.160 1.00 0.00 C ATOM 673 CD PRO A 895 -8.310 1.860 -7.722 1.00 0.00 C ATOM 0 HA PRO A 895 -9.272 -1.149 -8.358 1.00 0.00 H new ATOM 0 HB2 PRO A 895 -7.957 0.088 -10.499 1.00 0.00 H new ATOM 0 HB3 PRO A 895 -9.535 0.634 -9.968 1.00 0.00 H new ATOM 0 HG2 PRO A 895 -6.819 1.738 -9.262 1.00 0.00 H new ATOM 0 HG3 PRO A 895 -8.266 2.605 -9.735 1.00 0.00 H new ATOM 0 HD2 PRO A 895 -7.588 2.435 -7.141 1.00 0.00 H new ATOM 0 HD3 PRO A 895 -9.275 2.356 -7.612 1.00 0.00 H new ATOM 681 N CYS A 896 -6.140 -1.092 -7.798 1.00 0.00 N ATOM 682 CA CYS A 896 -4.930 -1.877 -7.886 1.00 0.00 C ATOM 683 C CYS A 896 -5.023 -3.110 -7.020 1.00 0.00 C ATOM 684 O CYS A 896 -4.485 -4.177 -7.348 1.00 0.00 O ATOM 685 CB CYS A 896 -3.738 -1.013 -7.513 1.00 0.00 C ATOM 686 SG CYS A 896 -3.446 0.366 -8.675 1.00 0.00 S ATOM 0 H CYS A 896 -6.110 -0.331 -7.119 1.00 0.00 H new ATOM 0 HA CYS A 896 -4.797 -2.221 -8.912 1.00 0.00 H new ATOM 0 HB2 CYS A 896 -3.891 -0.608 -6.513 1.00 0.00 H new ATOM 0 HB3 CYS A 896 -2.846 -1.637 -7.471 1.00 0.00 H new ATOM 0 HG CYS A 896 -2.173 0.620 -8.736 1.00 0.00 H new ATOM 691 N VAL A 897 -5.727 -2.972 -5.947 1.00 0.00 N ATOM 692 CA VAL A 897 -5.904 -4.044 -5.031 1.00 0.00 C ATOM 693 C VAL A 897 -7.268 -4.692 -5.210 1.00 0.00 C ATOM 694 O VAL A 897 -7.432 -5.881 -4.961 1.00 0.00 O ATOM 695 CB VAL A 897 -5.660 -3.582 -3.580 1.00 0.00 C ATOM 696 CG1 VAL A 897 -4.194 -3.234 -3.418 1.00 0.00 C ATOM 697 CG2 VAL A 897 -6.492 -2.357 -3.267 1.00 0.00 C ATOM 0 H VAL A 897 -6.198 -2.107 -5.681 1.00 0.00 H new ATOM 0 HA VAL A 897 -5.157 -4.807 -5.248 1.00 0.00 H new ATOM 0 HB VAL A 897 -5.942 -4.385 -2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 897 -4.009 -2.906 -2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 897 -3.586 -4.113 -3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 897 -3.932 -2.433 -4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 897 -6.307 -2.045 -2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 897 -6.220 -1.549 -3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 897 -7.549 -2.594 -3.390 1.00 0.00 H new ATOM 707 N GLY A 898 -8.228 -3.919 -5.687 1.00 0.00 N ATOM 708 CA GLY A 898 -9.551 -4.439 -5.943 1.00 0.00 C ATOM 709 C GLY A 898 -10.536 -4.015 -4.893 1.00 0.00 C ATOM 710 O GLY A 898 -11.206 -4.843 -4.296 1.00 0.00 O ATOM 0 H GLY A 898 -8.112 -2.929 -5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 898 -9.892 -4.096 -6.920 1.00 0.00 H new ATOM 0 HA3 GLY A 898 -9.511 -5.528 -5.984 1.00 0.00 H new ATOM 714 N ILE A 899 -10.606 -2.732 -4.657 1.00 0.00 N ATOM 715 CA ILE A 899 -11.483 -2.182 -3.655 1.00 0.00 C ATOM 716 C ILE A 899 -12.454 -1.178 -4.274 1.00 0.00 C ATOM 717 O ILE A 899 -12.073 -0.362 -5.120 1.00 0.00 O ATOM 718 CB ILE A 899 -10.648 -1.550 -2.510 1.00 0.00 C ATOM 719 CG1 ILE A 899 -9.893 -2.666 -1.788 1.00 0.00 C ATOM 720 CG2 ILE A 899 -11.503 -0.746 -1.538 1.00 0.00 C ATOM 721 CD1 ILE A 899 -9.051 -2.206 -0.642 1.00 0.00 C ATOM 0 H ILE A 899 -10.054 -2.035 -5.156 1.00 0.00 H new ATOM 0 HA ILE A 899 -12.084 -2.985 -3.228 1.00 0.00 H new ATOM 0 HB ILE A 899 -9.943 -0.840 -2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 899 -10.614 -3.397 -1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 899 -9.255 -3.180 -2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 899 -10.869 -0.326 -0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 899 -12.001 0.062 -2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 899 -12.251 -1.398 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 899 -8.553 -3.063 -0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 899 -8.303 -1.499 -1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 899 -9.683 -1.720 0.101 1.00 0.00 H new ATOM 733 N MET A 900 -13.705 -1.269 -3.865 1.00 0.00 N ATOM 734 CA MET A 900 -14.771 -0.425 -4.389 1.00 0.00 C ATOM 735 C MET A 900 -15.543 0.241 -3.255 1.00 0.00 C ATOM 736 O MET A 900 -16.478 1.023 -3.483 1.00 0.00 O ATOM 737 CB MET A 900 -15.713 -1.271 -5.259 1.00 0.00 C ATOM 738 CG MET A 900 -16.401 -2.417 -4.510 1.00 0.00 C ATOM 739 SD MET A 900 -17.398 -3.488 -5.582 1.00 0.00 S ATOM 740 CE MET A 900 -16.138 -4.146 -6.684 1.00 0.00 C ATOM 0 H MET A 900 -14.016 -1.933 -3.156 1.00 0.00 H new ATOM 0 HA MET A 900 -14.330 0.363 -4.999 1.00 0.00 H new ATOM 0 HB2 MET A 900 -16.477 -0.621 -5.686 1.00 0.00 H new ATOM 0 HB3 MET A 900 -15.145 -1.686 -6.092 1.00 0.00 H new ATOM 0 HG2 MET A 900 -15.643 -3.021 -4.011 1.00 0.00 H new ATOM 0 HG3 MET A 900 -17.040 -2.000 -3.732 1.00 0.00 H new ATOM 0 HE1 MET A 900 -16.512 -5.050 -7.165 1.00 0.00 H new ATOM 0 HE2 MET A 900 -15.896 -3.403 -7.444 1.00 0.00 H new ATOM 0 HE3 MET A 900 -15.242 -4.384 -6.111 1.00 0.00 H new ATOM 750 N ALA A 901 -15.152 -0.061 -2.047 1.00 0.00 N ATOM 751 CA ALA A 901 -15.783 0.472 -0.864 1.00 0.00 C ATOM 752 C ALA A 901 -14.750 0.555 0.228 1.00 0.00 C ATOM 753 O ALA A 901 -13.922 -0.334 0.334 1.00 0.00 O ATOM 754 CB ALA A 901 -16.933 -0.424 -0.439 1.00 0.00 C ATOM 0 H ALA A 901 -14.376 -0.693 -1.851 1.00 0.00 H new ATOM 0 HA ALA A 901 -16.185 1.465 -1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 901 -17.403 -0.014 0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 901 -17.667 -0.479 -1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 901 -16.555 -1.423 -0.224 1.00 0.00 H new ATOM 760 N ALA A 902 -14.799 1.597 1.022 1.00 0.00 N ATOM 761 CA ALA A 902 -13.822 1.845 2.058 1.00 0.00 C ATOM 762 C ALA A 902 -13.972 0.874 3.227 1.00 0.00 C ATOM 763 O ALA A 902 -14.988 0.885 3.932 1.00 0.00 O ATOM 764 CB ALA A 902 -13.926 3.282 2.548 1.00 0.00 C ATOM 0 H ALA A 902 -15.529 2.308 0.967 1.00 0.00 H new ATOM 0 HA ALA A 902 -12.835 1.685 1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -13.185 3.455 3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -13.744 3.964 1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -14.924 3.458 2.950 1.00 0.00 H new ATOM 770 N PRO A 903 -12.993 -0.009 3.415 1.00 0.00 N ATOM 771 CA PRO A 903 -12.974 -0.921 4.537 1.00 0.00 C ATOM 772 C PRO A 903 -12.580 -0.198 5.825 1.00 0.00 C ATOM 773 O PRO A 903 -11.586 0.531 5.851 1.00 0.00 O ATOM 774 CB PRO A 903 -11.902 -1.943 4.175 1.00 0.00 C ATOM 775 CG PRO A 903 -11.006 -1.247 3.213 1.00 0.00 C ATOM 776 CD PRO A 903 -11.830 -0.186 2.534 1.00 0.00 C ATOM 0 HA PRO A 903 -13.952 -1.368 4.713 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -11.354 -2.268 5.059 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -12.343 -2.834 3.728 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -10.155 -0.803 3.730 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -10.604 -1.949 2.483 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -11.270 0.743 2.424 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -12.132 -0.497 1.534 1.00 0.00 H new ATOM 845 N GLN A 908 -7.796 -5.194 9.814 1.00 0.00 N ATOM 846 CA GLN A 908 -6.460 -5.116 9.323 1.00 0.00 C ATOM 847 C GLN A 908 -6.486 -5.541 7.896 1.00 0.00 C ATOM 848 O GLN A 908 -7.026 -6.606 7.561 1.00 0.00 O ATOM 849 CB GLN A 908 -5.524 -5.996 10.100 1.00 0.00 C ATOM 850 CG GLN A 908 -5.388 -5.620 11.559 1.00 0.00 C ATOM 851 CD GLN A 908 -4.599 -6.632 12.332 1.00 0.00 C ATOM 852 OE1 GLN A 908 -5.164 -7.571 12.890 1.00 0.00 O ATOM 853 NE2 GLN A 908 -3.310 -6.490 12.353 1.00 0.00 N ATOM 0 HA GLN A 908 -6.095 -4.095 9.429 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -5.872 -7.027 10.033 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -4.539 -5.961 9.634 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -4.904 -4.647 11.638 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -6.379 -5.520 12.001 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -2.876 -5.698 11.879 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -2.730 -7.170 12.844 1.00 0.00 H new ATOM 862 N TRP A 909 -5.932 -4.747 7.089 1.00 0.00 N ATOM 863 CA TRP A 909 -5.941 -4.951 5.673 1.00 0.00 C ATOM 864 C TRP A 909 -4.529 -5.098 5.222 1.00 0.00 C ATOM 865 O TRP A 909 -3.640 -4.410 5.733 1.00 0.00 O ATOM 866 CB TRP A 909 -6.630 -3.767 4.963 1.00 0.00 C ATOM 867 CG TRP A 909 -6.650 -3.865 3.457 1.00 0.00 C ATOM 868 CD1 TRP A 909 -7.588 -4.480 2.680 1.00 0.00 C ATOM 869 CD2 TRP A 909 -5.682 -3.318 2.552 1.00 0.00 C ATOM 870 NE1 TRP A 909 -7.252 -4.343 1.351 1.00 0.00 N ATOM 871 CE2 TRP A 909 -6.086 -3.631 1.256 1.00 0.00 C ATOM 872 CE3 TRP A 909 -4.518 -2.592 2.729 1.00 0.00 C ATOM 873 CZ2 TRP A 909 -5.361 -3.237 0.140 1.00 0.00 C ATOM 874 CZ3 TRP A 909 -3.791 -2.203 1.630 1.00 0.00 C ATOM 875 CH2 TRP A 909 -4.216 -2.526 0.349 1.00 0.00 C ATOM 0 H TRP A 909 -5.438 -3.904 7.381 1.00 0.00 H new ATOM 0 HA TRP A 909 -6.504 -5.850 5.422 1.00 0.00 H new ATOM 0 HB2 TRP A 909 -7.656 -3.691 5.323 1.00 0.00 H new ATOM 0 HB3 TRP A 909 -6.124 -2.845 5.248 1.00 0.00 H new ATOM 0 HD1 TRP A 909 -8.461 -4.996 3.051 1.00 0.00 H new ATOM 0 HE1 TRP A 909 -7.786 -4.712 0.564 1.00 0.00 H new ATOM 0 HE3 TRP A 909 -4.183 -2.333 3.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 -5.692 -3.484 -0.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 -2.879 -1.640 1.764 1.00 0.00 H new ATOM 0 HH2 TRP A 909 -3.628 -2.208 -0.499 1.00 0.00 H new ATOM 886 N PHE A 910 -4.307 -5.995 4.308 1.00 0.00 N ATOM 887 CA PHE A 910 -2.994 -6.244 3.816 1.00 0.00 C ATOM 888 C PHE A 910 -3.007 -6.210 2.321 1.00 0.00 C ATOM 889 O PHE A 910 -3.938 -6.739 1.671 1.00 0.00 O ATOM 890 CB PHE A 910 -2.444 -7.581 4.341 1.00 0.00 C ATOM 891 CG PHE A 910 -2.404 -7.635 5.844 1.00 0.00 C ATOM 892 CD1 PHE A 910 -1.420 -6.960 6.549 1.00 0.00 C ATOM 893 CD2 PHE A 910 -3.369 -8.334 6.549 1.00 0.00 C ATOM 894 CE1 PHE A 910 -1.403 -6.980 7.928 1.00 0.00 C ATOM 895 CE2 PHE A 910 -3.354 -8.363 7.928 1.00 0.00 C ATOM 896 CZ PHE A 910 -2.371 -7.681 8.619 1.00 0.00 C ATOM 0 H PHE A 910 -5.034 -6.572 3.885 1.00 0.00 H new ATOM 0 HA PHE A 910 -2.327 -5.462 4.180 1.00 0.00 H new ATOM 0 HB2 PHE A 910 -3.063 -8.397 3.967 1.00 0.00 H new ATOM 0 HB3 PHE A 910 -1.439 -7.737 3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 910 -0.659 -6.413 6.013 1.00 0.00 H new ATOM 0 HD2 PHE A 910 -4.143 -8.863 6.013 1.00 0.00 H new ATOM 0 HE1 PHE A 910 -0.633 -6.448 8.467 1.00 0.00 H new ATOM 0 HE2 PHE A 910 -4.109 -8.917 8.466 1.00 0.00 H new ATOM 0 HZ PHE A 910 -2.360 -7.696 9.699 1.00 0.00 H new ATOM 906 N CYS A 911 -2.017 -5.566 1.788 1.00 0.00 N ATOM 907 CA CYS A 911 -1.824 -5.402 0.396 1.00 0.00 C ATOM 908 C CYS A 911 -1.350 -6.704 -0.224 1.00 0.00 C ATOM 909 O CYS A 911 -0.949 -7.617 0.498 1.00 0.00 O ATOM 910 CB CYS A 911 -0.760 -4.331 0.242 1.00 0.00 C ATOM 911 SG CYS A 911 0.749 -4.625 1.224 1.00 0.00 S ATOM 0 H CYS A 911 -1.289 -5.121 2.347 1.00 0.00 H new ATOM 0 HA CYS A 911 -2.750 -5.119 -0.104 1.00 0.00 H new ATOM 0 HB2 CYS A 911 -0.486 -4.257 -0.810 1.00 0.00 H new ATOM 0 HB3 CYS A 911 -1.185 -3.369 0.530 1.00 0.00 H new ATOM 0 HG CYS A 911 1.153 -3.504 1.744 1.00 0.00 H new ATOM 916 N PRO A 912 -1.364 -6.814 -1.569 1.00 0.00 N ATOM 917 CA PRO A 912 -0.842 -7.989 -2.281 1.00 0.00 C ATOM 918 C PRO A 912 0.628 -8.305 -1.902 1.00 0.00 C ATOM 919 O PRO A 912 1.095 -9.427 -2.071 1.00 0.00 O ATOM 920 CB PRO A 912 -0.942 -7.581 -3.773 1.00 0.00 C ATOM 921 CG PRO A 912 -1.177 -6.103 -3.755 1.00 0.00 C ATOM 922 CD PRO A 912 -1.948 -5.846 -2.508 1.00 0.00 C ATOM 0 HA PRO A 912 -1.398 -8.893 -2.035 1.00 0.00 H new ATOM 0 HB2 PRO A 912 -0.028 -7.829 -4.312 1.00 0.00 H new ATOM 0 HB3 PRO A 912 -1.758 -8.104 -4.272 1.00 0.00 H new ATOM 0 HG2 PRO A 912 -0.235 -5.554 -3.756 1.00 0.00 H new ATOM 0 HG3 PRO A 912 -1.734 -5.782 -4.635 1.00 0.00 H new ATOM 0 HD2 PRO A 912 -1.828 -4.820 -2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 912 -3.016 -6.011 -2.650 1.00 0.00 H new ATOM 930 N LYS A 913 1.329 -7.316 -1.354 1.00 0.00 N ATOM 931 CA LYS A 913 2.730 -7.465 -0.980 1.00 0.00 C ATOM 932 C LYS A 913 2.845 -8.162 0.368 1.00 0.00 C ATOM 933 O LYS A 913 3.756 -8.947 0.590 1.00 0.00 O ATOM 934 CB LYS A 913 3.415 -6.099 -0.921 1.00 0.00 C ATOM 935 CG LYS A 913 3.322 -5.290 -2.212 1.00 0.00 C ATOM 936 CD LYS A 913 4.063 -5.939 -3.363 1.00 0.00 C ATOM 937 CE LYS A 913 5.570 -5.948 -3.132 1.00 0.00 C ATOM 938 NZ LYS A 913 6.289 -6.570 -4.259 1.00 0.00 N ATOM 0 H LYS A 913 0.943 -6.393 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 913 3.226 -8.074 -1.736 1.00 0.00 H new ATOM 0 HB2 LYS A 913 2.973 -5.519 -0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 913 4.466 -6.244 -0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 913 2.274 -5.166 -2.484 1.00 0.00 H new ATOM 0 HG3 LYS A 913 3.727 -4.293 -2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 913 3.709 -6.962 -3.493 1.00 0.00 H new ATOM 0 HD3 LYS A 913 3.840 -5.405 -4.287 1.00 0.00 H new ATOM 0 HE2 LYS A 913 5.923 -4.926 -2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 913 5.794 -6.490 -2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 7.311 -6.559 -4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 5.969 -7.553 -4.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 6.094 -6.038 -5.131 1.00 0.00 H new ATOM 952 N CYS A 914 1.946 -7.869 1.264 1.00 0.00 N ATOM 953 CA CYS A 914 1.949 -8.541 2.525 1.00 0.00 C ATOM 954 C CYS A 914 1.116 -9.815 2.489 1.00 0.00 C ATOM 955 O CYS A 914 1.438 -10.793 3.154 1.00 0.00 O ATOM 956 CB CYS A 914 1.564 -7.597 3.649 1.00 0.00 C ATOM 957 SG CYS A 914 2.785 -6.277 3.891 1.00 0.00 S ATOM 0 H CYS A 914 1.209 -7.175 1.144 1.00 0.00 H new ATOM 0 HA CYS A 914 2.968 -8.866 2.735 1.00 0.00 H new ATOM 0 HB2 CYS A 914 0.592 -7.154 3.431 1.00 0.00 H new ATOM 0 HB3 CYS A 914 1.456 -8.163 4.574 1.00 0.00 H new ATOM 0 HG CYS A 914 2.175 -5.175 4.212 1.00 0.00 H new ATOM 962 N ALA A 915 0.102 -9.824 1.667 1.00 0.00 N ATOM 963 CA ALA A 915 -0.740 -10.990 1.511 1.00 0.00 C ATOM 964 C ALA A 915 0.031 -12.141 0.875 1.00 0.00 C ATOM 965 O ALA A 915 -0.248 -13.291 1.153 1.00 0.00 O ATOM 966 CB ALA A 915 -1.984 -10.661 0.707 1.00 0.00 C ATOM 0 H ALA A 915 -0.167 -9.030 1.087 1.00 0.00 H new ATOM 0 HA ALA A 915 -1.057 -11.307 2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 915 -2.599 -11.555 0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 915 -2.554 -9.886 1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 915 -1.695 -10.305 -0.282 1.00 0.00 H new ATOM 972 N ASN A 916 1.044 -11.816 0.065 1.00 0.00 N ATOM 973 CA ASN A 916 1.859 -12.842 -0.606 1.00 0.00 C ATOM 974 C ASN A 916 2.801 -13.551 0.382 1.00 0.00 C ATOM 975 O ASN A 916 3.330 -14.630 0.101 1.00 0.00 O ATOM 976 CB ASN A 916 2.637 -12.264 -1.839 1.00 0.00 C ATOM 977 CG ASN A 916 3.839 -11.347 -1.549 1.00 0.00 C ATOM 978 OD1 ASN A 916 4.562 -11.491 -0.559 1.00 0.00 O ATOM 979 ND2 ASN A 916 4.073 -10.406 -2.431 1.00 0.00 N ATOM 0 H ASN A 916 1.321 -10.857 -0.143 1.00 0.00 H new ATOM 0 HA ASN A 916 1.170 -13.593 -0.993 1.00 0.00 H new ATOM 0 HB2 ASN A 916 2.990 -13.103 -2.439 1.00 0.00 H new ATOM 0 HB3 ASN A 916 1.929 -11.708 -2.454 1.00 0.00 H new ATOM 0 HD21 ASN A 916 4.865 -9.776 -2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 916 3.463 -10.304 -3.242 1.00 0.00 H new ATOM 986 N LYS A 917 3.041 -12.913 1.517 1.00 0.00 N ATOM 987 CA LYS A 917 3.868 -13.492 2.553 1.00 0.00 C ATOM 988 C LYS A 917 3.041 -14.088 3.683 1.00 0.00 C ATOM 989 O LYS A 917 3.475 -15.019 4.365 1.00 0.00 O ATOM 990 CB LYS A 917 4.958 -12.518 3.053 1.00 0.00 C ATOM 991 CG LYS A 917 4.510 -11.101 3.423 1.00 0.00 C ATOM 992 CD LYS A 917 5.721 -10.247 3.818 1.00 0.00 C ATOM 993 CE LYS A 917 5.395 -8.753 3.957 1.00 0.00 C ATOM 994 NZ LYS A 917 4.506 -8.418 5.103 1.00 0.00 N ATOM 0 H LYS A 917 2.671 -11.989 1.740 1.00 0.00 H new ATOM 0 HA LYS A 917 4.402 -14.325 2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 917 5.433 -12.962 3.928 1.00 0.00 H new ATOM 0 HB3 LYS A 917 5.723 -12.440 2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 917 3.993 -10.644 2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 917 3.799 -11.141 4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 917 6.122 -10.613 4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 917 6.504 -10.372 3.070 1.00 0.00 H new ATOM 0 HE2 LYS A 917 6.328 -8.199 4.063 1.00 0.00 H new ATOM 0 HE3 LYS A 917 4.924 -8.410 3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 3.989 -7.540 4.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 3.828 -9.192 5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 5.079 -8.288 5.961 1.00 0.00 H new ATOM 1008 N ILE A 918 1.863 -13.556 3.888 1.00 0.00 N ATOM 1009 CA ILE A 918 0.937 -14.123 4.865 1.00 0.00 C ATOM 1010 C ILE A 918 0.290 -15.386 4.285 1.00 0.00 C ATOM 1011 O ILE A 918 0.381 -16.480 4.864 1.00 0.00 O ATOM 1012 CB ILE A 918 -0.168 -13.107 5.287 1.00 0.00 C ATOM 1013 CG1 ILE A 918 0.472 -11.878 5.944 1.00 0.00 C ATOM 1014 CG2 ILE A 918 -1.178 -13.763 6.238 1.00 0.00 C ATOM 1015 CD1 ILE A 918 -0.517 -10.806 6.350 1.00 0.00 C ATOM 0 H ILE A 918 1.513 -12.733 3.398 1.00 0.00 H new ATOM 0 HA ILE A 918 1.509 -14.372 5.759 1.00 0.00 H new ATOM 0 HB ILE A 918 -0.705 -12.788 4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 918 1.026 -12.199 6.826 1.00 0.00 H new ATOM 0 HG13 ILE A 918 1.196 -11.446 5.253 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -1.939 -13.035 6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -1.651 -14.609 5.739 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -0.662 -14.112 7.133 1.00 0.00 H new ATOM 0 HD11 ILE A 918 0.017 -9.972 6.806 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -1.054 -10.454 5.469 1.00 0.00 H new ATOM 0 HD13 ILE A 918 -1.227 -11.219 7.067 1.00 0.00 H new