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 885 CYS SG : rot -177:sc= -5.01! USER MOD Set 1.2: A 888 CYS SG : rot -85:sc= -9.73! USER MOD Set 1.3: A 911 CYS SG : rot 170:sc= -5.06! USER MOD Set 1.4: A 914 CYS SG : rot 100:sc= -3.67! USER MOD Set 2.1: A 870 CYS SG : rot -161:sc= -0.377! USER MOD Set 2.2: A 873 CYS SG : rot -67:sc= -1.17 USER MOD Set 2.3: A 880 SER OG : rot 23:sc= 1.18 USER MOD Set 2.4: A 893 HIS : no HE2:sc= -0.444 K(o=-3.7,f=-6.2!) USER MOD Set 2.5: A 896 CYS SG : rot -119:sc= -2.88! USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -0.472 X(o=-0.47,f=0) USER MOD Single : A 866 GLN : amide:sc= 1.14 K(o=1.1,f=-0.88) USER MOD Single : A 874 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.65) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= -0.261 (180deg=-0.261) USER MOD Single : A 882 MET CE :methyl -115:sc= -0.153 (180deg=-0.169) USER MOD Single : A 892 TYR OH : rot 180:sc= -0.024 USER MOD Single : A 900 MET CE :methyl -166:sc= -0.0334 (180deg=-0.357) USER MOD Single : A 908 GLN : amide:sc= 1.14 K(o=1.1,f=-0.17) USER MOD Single : A 913 LYS NZ :NH3+ -134:sc= 1.25 (180deg=0.219) USER MOD Single : A 916 ASN :FLIP amide:sc= -0.0477 F(o=-1,f=-0.048) USER MOD Single : A 917 LYS NZ :NH3+ 160:sc= -0.0884 (180deg=-0.508) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 857 9.195 6.655 -3.852 1.00 0.00 N ATOM 93 CA TYR A 857 7.763 6.414 -3.846 1.00 0.00 C ATOM 94 C TYR A 857 7.023 7.531 -3.125 1.00 0.00 C ATOM 95 O TYR A 857 5.833 7.415 -2.843 1.00 0.00 O ATOM 96 CB TYR A 857 7.445 5.046 -3.212 1.00 0.00 C ATOM 97 CG TYR A 857 7.993 3.870 -3.998 1.00 0.00 C ATOM 98 CD1 TYR A 857 9.306 3.440 -3.831 1.00 0.00 C ATOM 99 CD2 TYR A 857 7.204 3.203 -4.922 1.00 0.00 C ATOM 100 CE1 TYR A 857 9.809 2.387 -4.558 1.00 0.00 C ATOM 101 CE2 TYR A 857 7.699 2.152 -5.657 1.00 0.00 C ATOM 102 CZ TYR A 857 9.000 1.746 -5.472 1.00 0.00 C ATOM 103 OH TYR A 857 9.495 0.706 -6.209 1.00 0.00 O ATOM 0 HA TYR A 857 7.419 6.400 -4.880 1.00 0.00 H new ATOM 0 HB2 TYR A 857 7.854 5.019 -2.202 1.00 0.00 H new ATOM 0 HB3 TYR A 857 6.364 4.939 -3.121 1.00 0.00 H new ATOM 0 HD1 TYR A 857 9.942 3.943 -3.117 1.00 0.00 H new ATOM 0 HD2 TYR A 857 6.180 3.515 -5.067 1.00 0.00 H new ATOM 0 HE1 TYR A 857 10.830 2.065 -4.414 1.00 0.00 H new ATOM 0 HE2 TYR A 857 7.070 1.648 -6.376 1.00 0.00 H new ATOM 0 HH TYR A 857 8.795 0.365 -6.805 1.00 0.00 H new ATOM 113 N VAL A 858 7.734 8.610 -2.844 1.00 0.00 N ATOM 114 CA VAL A 858 7.181 9.764 -2.166 1.00 0.00 C ATOM 115 C VAL A 858 7.634 11.037 -2.889 1.00 0.00 C ATOM 116 O VAL A 858 8.834 11.294 -3.025 1.00 0.00 O ATOM 117 CB VAL A 858 7.617 9.831 -0.665 1.00 0.00 C ATOM 118 CG1 VAL A 858 7.048 11.067 0.017 1.00 0.00 C ATOM 119 CG2 VAL A 858 7.186 8.577 0.094 1.00 0.00 C ATOM 0 H VAL A 858 8.721 8.708 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 858 6.095 9.677 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 858 8.705 9.891 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 858 7.367 11.087 1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 858 7.409 11.961 -0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 858 5.959 11.039 -0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 858 7.504 8.654 1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 858 6.101 8.481 0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 858 7.646 7.700 -0.362 1.00 0.00 H new ATOM 129 N ILE A 859 6.675 11.780 -3.392 1.00 0.00 N ATOM 130 CA ILE A 859 6.917 13.050 -4.083 1.00 0.00 C ATOM 131 C ILE A 859 6.107 14.118 -3.320 1.00 0.00 C ATOM 132 O ILE A 859 5.289 13.756 -2.492 1.00 0.00 O ATOM 133 CB ILE A 859 6.431 12.971 -5.585 1.00 0.00 C ATOM 134 CG1 ILE A 859 6.994 11.709 -6.268 1.00 0.00 C ATOM 135 CG2 ILE A 859 6.863 14.216 -6.372 1.00 0.00 C ATOM 136 CD1 ILE A 859 6.514 11.503 -7.695 1.00 0.00 C ATOM 0 H ILE A 859 5.689 11.526 -3.338 1.00 0.00 H new ATOM 0 HA ILE A 859 7.980 13.289 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 859 5.342 12.923 -5.579 1.00 0.00 H new ATOM 0 HG12 ILE A 859 8.083 11.765 -6.268 1.00 0.00 H new ATOM 0 HG13 ILE A 859 6.720 10.836 -5.675 1.00 0.00 H new ATOM 0 HG21 ILE A 859 6.515 14.134 -7.402 1.00 0.00 H new ATOM 0 HG22 ILE A 859 6.431 15.105 -5.912 1.00 0.00 H new ATOM 0 HG23 ILE A 859 7.950 14.294 -6.361 1.00 0.00 H new ATOM 0 HD11 ILE A 859 6.958 10.594 -8.100 1.00 0.00 H new ATOM 0 HD12 ILE A 859 5.428 11.412 -7.704 1.00 0.00 H new ATOM 0 HD13 ILE A 859 6.812 12.355 -8.306 1.00 0.00 H new ATOM 148 N ARG A 860 6.340 15.399 -3.548 1.00 0.00 N ATOM 149 CA ARG A 860 5.557 16.424 -2.871 1.00 0.00 C ATOM 150 C ARG A 860 4.624 17.087 -3.865 1.00 0.00 C ATOM 151 O ARG A 860 5.030 17.428 -4.978 1.00 0.00 O ATOM 152 CB ARG A 860 6.448 17.495 -2.218 1.00 0.00 C ATOM 153 CG ARG A 860 7.491 16.937 -1.265 1.00 0.00 C ATOM 154 CD ARG A 860 8.354 18.039 -0.658 1.00 0.00 C ATOM 155 NE ARG A 860 8.999 18.881 -1.684 1.00 0.00 N ATOM 156 CZ ARG A 860 10.325 19.018 -1.885 1.00 0.00 C ATOM 157 NH1 ARG A 860 11.197 18.242 -1.255 1.00 0.00 N ATOM 158 NH2 ARG A 860 10.761 19.912 -2.753 1.00 0.00 N ATOM 0 H ARG A 860 7.053 15.753 -4.186 1.00 0.00 H new ATOM 0 HA ARG A 860 4.988 15.936 -2.080 1.00 0.00 H new ATOM 0 HB2 ARG A 860 6.953 18.060 -3.002 1.00 0.00 H new ATOM 0 HB3 ARG A 860 5.815 18.198 -1.676 1.00 0.00 H new ATOM 0 HG2 ARG A 860 6.995 16.383 -0.468 1.00 0.00 H new ATOM 0 HG3 ARG A 860 8.127 16.229 -1.797 1.00 0.00 H new ATOM 0 HD2 ARG A 860 7.737 18.665 -0.013 1.00 0.00 H new ATOM 0 HD3 ARG A 860 9.121 17.590 -0.027 1.00 0.00 H new ATOM 0 HE ARG A 860 8.382 19.410 -2.300 1.00 0.00 H new ATOM 0 HH11 ARG A 860 10.868 17.527 -0.606 1.00 0.00 H new ATOM 0 HH12 ARG A 860 12.197 18.360 -1.420 1.00 0.00 H new ATOM 0 HH21 ARG A 860 10.096 20.492 -3.265 1.00 0.00 H new ATOM 0 HH22 ARG A 860 11.762 20.023 -2.912 1.00 0.00 H new ATOM 172 N ASP A 861 3.384 17.207 -3.482 1.00 0.00 N ATOM 173 CA ASP A 861 2.357 17.907 -4.259 1.00 0.00 C ATOM 174 C ASP A 861 2.576 19.420 -4.124 1.00 0.00 C ATOM 175 O ASP A 861 3.429 19.865 -3.347 1.00 0.00 O ATOM 176 CB ASP A 861 0.954 17.493 -3.726 1.00 0.00 C ATOM 177 CG ASP A 861 -0.241 18.211 -4.343 1.00 0.00 C ATOM 178 OD1 ASP A 861 -0.700 17.837 -5.430 1.00 0.00 O ATOM 179 OD2 ASP A 861 -0.736 19.168 -3.726 1.00 0.00 O ATOM 0 H ASP A 861 3.035 16.819 -2.606 1.00 0.00 H new ATOM 0 HA ASP A 861 2.420 17.641 -5.314 1.00 0.00 H new ATOM 0 HB2 ASP A 861 0.830 16.422 -3.886 1.00 0.00 H new ATOM 0 HB3 ASP A 861 0.934 17.659 -2.649 1.00 0.00 H new ATOM 184 N GLU A 862 1.801 20.187 -4.836 1.00 0.00 N ATOM 185 CA GLU A 862 1.883 21.648 -4.837 1.00 0.00 C ATOM 186 C GLU A 862 1.446 22.223 -3.488 1.00 0.00 C ATOM 187 O GLU A 862 1.908 23.284 -3.068 1.00 0.00 O ATOM 188 CB GLU A 862 1.036 22.221 -5.971 1.00 0.00 C ATOM 189 CG GLU A 862 -0.371 21.661 -6.006 1.00 0.00 C ATOM 190 CD GLU A 862 -1.230 22.274 -7.060 1.00 0.00 C ATOM 191 OE1 GLU A 862 -0.802 22.355 -8.228 1.00 0.00 O ATOM 192 OE2 GLU A 862 -2.378 22.648 -6.748 1.00 0.00 O ATOM 0 H GLU A 862 1.074 19.821 -5.451 1.00 0.00 H new ATOM 0 HA GLU A 862 2.922 21.935 -4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 862 0.986 23.305 -5.867 1.00 0.00 H new ATOM 0 HB3 GLU A 862 1.526 22.014 -6.922 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -0.321 20.585 -6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -0.839 21.814 -5.033 1.00 0.00 H new ATOM 199 N TRP A 863 0.575 21.499 -2.800 1.00 0.00 N ATOM 200 CA TRP A 863 0.125 21.901 -1.478 1.00 0.00 C ATOM 201 C TRP A 863 1.185 21.461 -0.459 1.00 0.00 C ATOM 202 O TRP A 863 1.207 21.908 0.678 1.00 0.00 O ATOM 203 CB TRP A 863 -1.214 21.225 -1.174 1.00 0.00 C ATOM 204 CG TRP A 863 -1.999 21.793 -0.019 1.00 0.00 C ATOM 205 CD1 TRP A 863 -1.788 21.591 1.314 1.00 0.00 C ATOM 206 CD2 TRP A 863 -3.164 22.619 -0.113 1.00 0.00 C ATOM 207 NE1 TRP A 863 -2.739 22.255 2.049 1.00 0.00 N ATOM 208 CE2 TRP A 863 -3.595 22.890 1.196 1.00 0.00 C ATOM 209 CE3 TRP A 863 -3.878 23.161 -1.182 1.00 0.00 C ATOM 210 CZ2 TRP A 863 -4.708 23.674 1.463 1.00 0.00 C ATOM 211 CZ3 TRP A 863 -4.985 23.938 -0.916 1.00 0.00 C ATOM 212 CH2 TRP A 863 -5.388 24.188 0.397 1.00 0.00 C ATOM 0 H TRP A 863 0.166 20.628 -3.138 1.00 0.00 H new ATOM 0 HA TRP A 863 -0.010 22.981 -1.427 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -1.835 21.277 -2.068 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -1.028 20.170 -0.976 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -0.989 20.995 1.730 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -2.797 22.271 3.067 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -3.569 22.975 -2.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -5.025 23.870 2.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -5.549 24.359 -1.735 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -6.258 24.803 0.573 1.00 0.00 H new ATOM 223 N GLY A 864 2.062 20.579 -0.899 1.00 0.00 N ATOM 224 CA GLY A 864 3.132 20.089 -0.064 1.00 0.00 C ATOM 225 C GLY A 864 2.865 18.716 0.482 1.00 0.00 C ATOM 226 O GLY A 864 3.760 18.105 1.064 1.00 0.00 O ATOM 0 H GLY A 864 2.050 20.186 -1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 864 4.057 20.072 -0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 864 3.285 20.781 0.764 1.00 0.00 H new ATOM 230 N ASN A 865 1.646 18.216 0.294 1.00 0.00 N ATOM 231 CA ASN A 865 1.307 16.868 0.755 1.00 0.00 C ATOM 232 C ASN A 865 2.085 15.859 -0.035 1.00 0.00 C ATOM 233 O ASN A 865 2.393 16.083 -1.208 1.00 0.00 O ATOM 234 CB ASN A 865 -0.199 16.540 0.660 1.00 0.00 C ATOM 235 CG ASN A 865 -1.075 17.332 1.619 1.00 0.00 C ATOM 236 OD1 ASN A 865 -1.259 16.946 2.776 1.00 0.00 O ATOM 237 ND2 ASN A 865 -1.677 18.385 1.140 1.00 0.00 N ATOM 0 H ASN A 865 0.885 18.714 -0.167 1.00 0.00 H new ATOM 0 HA ASN A 865 1.570 16.827 1.812 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -0.536 16.727 -0.360 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -0.340 15.476 0.852 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -2.321 18.915 1.727 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -1.503 18.679 0.179 1.00 0.00 H new ATOM 244 N GLN A 866 2.437 14.783 0.591 1.00 0.00 N ATOM 245 CA GLN A 866 3.190 13.782 -0.045 1.00 0.00 C ATOM 246 C GLN A 866 2.337 12.975 -1.021 1.00 0.00 C ATOM 247 O GLN A 866 1.128 12.773 -0.822 1.00 0.00 O ATOM 248 CB GLN A 866 3.849 12.897 0.993 1.00 0.00 C ATOM 249 CG GLN A 866 2.900 12.064 1.831 1.00 0.00 C ATOM 250 CD GLN A 866 3.616 11.336 2.940 1.00 0.00 C ATOM 251 OE1 GLN A 866 4.606 11.820 3.489 1.00 0.00 O ATOM 252 NE2 GLN A 866 3.160 10.168 3.255 1.00 0.00 N ATOM 0 H GLN A 866 2.203 14.584 1.564 1.00 0.00 H new ATOM 0 HA GLN A 866 3.973 14.257 -0.637 1.00 0.00 H new ATOM 0 HB2 GLN A 866 4.544 12.227 0.487 1.00 0.00 H new ATOM 0 HB3 GLN A 866 4.440 13.525 1.659 1.00 0.00 H new ATOM 0 HG2 GLN A 866 2.132 12.709 2.258 1.00 0.00 H new ATOM 0 HG3 GLN A 866 2.391 11.342 1.193 1.00 0.00 H new ATOM 0 HE21 GLN A 866 2.337 9.797 2.780 1.00 0.00 H new ATOM 0 HE22 GLN A 866 3.623 9.618 3.978 1.00 0.00 H new ATOM 261 N ILE A 867 2.958 12.593 -2.075 1.00 0.00 N ATOM 262 CA ILE A 867 2.388 11.784 -3.097 1.00 0.00 C ATOM 263 C ILE A 867 2.960 10.414 -2.944 1.00 0.00 C ATOM 264 O ILE A 867 4.184 10.245 -2.984 1.00 0.00 O ATOM 265 CB ILE A 867 2.770 12.318 -4.499 1.00 0.00 C ATOM 266 CG1 ILE A 867 2.205 13.707 -4.737 1.00 0.00 C ATOM 267 CG2 ILE A 867 2.333 11.367 -5.612 1.00 0.00 C ATOM 268 CD1 ILE A 867 0.699 13.752 -4.763 1.00 0.00 C ATOM 0 H ILE A 867 3.928 12.847 -2.261 1.00 0.00 H new ATOM 0 HA ILE A 867 1.302 11.789 -3.008 1.00 0.00 H new ATOM 0 HB ILE A 867 3.858 12.381 -4.523 1.00 0.00 H new ATOM 0 HG12 ILE A 867 2.566 14.375 -3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 867 2.587 14.088 -5.684 1.00 0.00 H new ATOM 0 HG21 ILE A 867 2.621 11.781 -6.578 1.00 0.00 H new ATOM 0 HG22 ILE A 867 2.815 10.399 -5.474 1.00 0.00 H new ATOM 0 HG23 ILE A 867 1.251 11.241 -5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 867 0.369 14.776 -4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 867 0.330 13.110 -5.563 1.00 0.00 H new ATOM 0 HD13 ILE A 867 0.308 13.402 -3.808 1.00 0.00 H new ATOM 280 N TRP A 868 2.110 9.468 -2.758 1.00 0.00 N ATOM 281 CA TRP A 868 2.526 8.096 -2.616 1.00 0.00 C ATOM 282 C TRP A 868 2.561 7.446 -3.960 1.00 0.00 C ATOM 283 O TRP A 868 1.752 7.766 -4.822 1.00 0.00 O ATOM 284 CB TRP A 868 1.561 7.296 -1.750 1.00 0.00 C ATOM 285 CG TRP A 868 1.494 7.688 -0.318 1.00 0.00 C ATOM 286 CD1 TRP A 868 2.389 7.365 0.651 1.00 0.00 C ATOM 287 CD2 TRP A 868 0.453 8.433 0.320 1.00 0.00 C ATOM 288 NE1 TRP A 868 1.973 7.862 1.857 1.00 0.00 N ATOM 289 CE2 TRP A 868 0.785 8.526 1.681 1.00 0.00 C ATOM 290 CE3 TRP A 868 -0.725 9.032 -0.131 1.00 0.00 C ATOM 291 CZ2 TRP A 868 -0.019 9.192 2.597 1.00 0.00 C ATOM 292 CZ3 TRP A 868 -1.523 9.693 0.779 1.00 0.00 C ATOM 293 CH2 TRP A 868 -1.167 9.769 2.127 1.00 0.00 C ATOM 0 H TRP A 868 1.102 9.611 -2.698 1.00 0.00 H new ATOM 0 HA TRP A 868 3.509 8.105 -2.145 1.00 0.00 H new ATOM 0 HB2 TRP A 868 0.562 7.384 -2.177 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.840 6.244 -1.806 1.00 0.00 H new ATOM 0 HD1 TRP A 868 3.295 6.799 0.493 1.00 0.00 H new ATOM 0 HE1 TRP A 868 2.466 7.756 2.743 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -1.006 8.979 -1.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 0.252 9.252 3.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -2.438 10.159 0.444 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -1.813 10.295 2.814 1.00 0.00 H new ATOM 304 N ILE A 869 3.504 6.592 -4.161 1.00 0.00 N ATOM 305 CA ILE A 869 3.525 5.778 -5.328 1.00 0.00 C ATOM 306 C ILE A 869 3.177 4.371 -4.928 1.00 0.00 C ATOM 307 O ILE A 869 3.796 3.801 -4.018 1.00 0.00 O ATOM 308 CB ILE A 869 4.868 5.851 -6.122 1.00 0.00 C ATOM 309 CG1 ILE A 869 5.071 7.283 -6.656 1.00 0.00 C ATOM 310 CG2 ILE A 869 4.892 4.832 -7.270 1.00 0.00 C ATOM 311 CD1 ILE A 869 6.279 7.480 -7.538 1.00 0.00 C ATOM 0 H ILE A 869 4.283 6.438 -3.521 1.00 0.00 H new ATOM 0 HA ILE A 869 2.782 6.162 -6.027 1.00 0.00 H new ATOM 0 HB ILE A 869 5.687 5.600 -5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 869 4.182 7.573 -7.216 1.00 0.00 H new ATOM 0 HG13 ILE A 869 5.148 7.962 -5.807 1.00 0.00 H new ATOM 0 HG21 ILE A 869 5.839 4.907 -7.804 1.00 0.00 H new ATOM 0 HG22 ILE A 869 4.782 3.826 -6.866 1.00 0.00 H new ATOM 0 HG23 ILE A 869 4.071 5.038 -7.957 1.00 0.00 H new ATOM 0 HD11 ILE A 869 6.329 8.520 -7.859 1.00 0.00 H new ATOM 0 HD12 ILE A 869 7.181 7.228 -6.981 1.00 0.00 H new ATOM 0 HD13 ILE A 869 6.201 6.834 -8.412 1.00 0.00 H new ATOM 323 N CYS A 870 2.149 3.863 -5.559 1.00 0.00 N ATOM 324 CA CYS A 870 1.636 2.570 -5.333 1.00 0.00 C ATOM 325 C CYS A 870 2.564 1.562 -5.974 1.00 0.00 C ATOM 326 O CYS A 870 2.708 1.536 -7.196 1.00 0.00 O ATOM 327 CB CYS A 870 0.235 2.501 -5.970 1.00 0.00 C ATOM 328 SG CYS A 870 -0.646 0.911 -5.901 1.00 0.00 S ATOM 0 H CYS A 870 1.635 4.378 -6.274 1.00 0.00 H new ATOM 0 HA CYS A 870 1.563 2.350 -4.268 1.00 0.00 H new ATOM 0 HB2 CYS A 870 -0.390 3.252 -5.488 1.00 0.00 H new ATOM 0 HB3 CYS A 870 0.328 2.788 -7.017 1.00 0.00 H new ATOM 0 HG CYS A 870 -1.591 0.899 -6.794 1.00 0.00 H new ATOM 333 N PRO A 871 3.214 0.726 -5.169 1.00 0.00 N ATOM 334 CA PRO A 871 4.102 -0.328 -5.659 1.00 0.00 C ATOM 335 C PRO A 871 3.332 -1.426 -6.415 1.00 0.00 C ATOM 336 O PRO A 871 3.919 -2.398 -6.888 1.00 0.00 O ATOM 337 CB PRO A 871 4.720 -0.914 -4.383 1.00 0.00 C ATOM 338 CG PRO A 871 4.419 0.064 -3.302 1.00 0.00 C ATOM 339 CD PRO A 871 3.164 0.765 -3.709 1.00 0.00 C ATOM 0 HA PRO A 871 4.836 0.063 -6.363 1.00 0.00 H new ATOM 0 HB2 PRO A 871 4.295 -1.892 -4.156 1.00 0.00 H new ATOM 0 HB3 PRO A 871 5.795 -1.053 -4.497 1.00 0.00 H new ATOM 0 HG2 PRO A 871 4.289 -0.442 -2.345 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.238 0.773 -3.180 1.00 0.00 H new ATOM 0 HD2 PRO A 871 2.278 0.260 -3.323 1.00 0.00 H new ATOM 0 HD3 PRO A 871 3.136 1.788 -3.335 1.00 0.00 H new ATOM 347 N GLY A 872 2.021 -1.289 -6.483 1.00 0.00 N ATOM 348 CA GLY A 872 1.217 -2.229 -7.203 1.00 0.00 C ATOM 349 C GLY A 872 1.282 -1.980 -8.694 1.00 0.00 C ATOM 350 O GLY A 872 1.392 -2.918 -9.479 1.00 0.00 O ATOM 0 H GLY A 872 1.499 -0.530 -6.044 1.00 0.00 H new ATOM 0 HA2 GLY A 872 1.556 -3.242 -6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 872 0.183 -2.160 -6.865 1.00 0.00 H new ATOM 354 N CYS A 873 1.258 -0.720 -9.081 1.00 0.00 N ATOM 355 CA CYS A 873 1.244 -0.349 -10.480 1.00 0.00 C ATOM 356 C CYS A 873 2.474 0.469 -10.864 1.00 0.00 C ATOM 357 O CYS A 873 2.753 0.660 -12.057 1.00 0.00 O ATOM 358 CB CYS A 873 0.017 0.491 -10.686 1.00 0.00 C ATOM 359 SG CYS A 873 -0.125 1.801 -9.448 1.00 0.00 S ATOM 0 H CYS A 873 1.248 0.071 -8.437 1.00 0.00 H new ATOM 0 HA CYS A 873 1.246 -1.247 -11.098 1.00 0.00 H new ATOM 0 HB2 CYS A 873 0.045 0.935 -11.681 1.00 0.00 H new ATOM 0 HB3 CYS A 873 -0.868 -0.144 -10.645 1.00 0.00 H new ATOM 0 HG CYS A 873 -0.346 1.273 -8.281 1.00 0.00 H new ATOM 364 N ASN A 874 3.169 0.975 -9.842 1.00 0.00 N ATOM 365 CA ASN A 874 4.321 1.874 -9.986 1.00 0.00 C ATOM 366 C ASN A 874 3.805 3.251 -10.461 1.00 0.00 C ATOM 367 O ASN A 874 4.467 3.984 -11.201 1.00 0.00 O ATOM 368 CB ASN A 874 5.416 1.276 -10.936 1.00 0.00 C ATOM 369 CG ASN A 874 6.704 2.107 -11.027 1.00 0.00 C ATOM 370 OD1 ASN A 874 7.106 2.786 -10.075 1.00 0.00 O ATOM 371 ND2 ASN A 874 7.362 2.054 -12.159 1.00 0.00 N ATOM 0 H ASN A 874 2.943 0.768 -8.869 1.00 0.00 H new ATOM 0 HA ASN A 874 4.817 1.995 -9.023 1.00 0.00 H new ATOM 0 HB2 ASN A 874 5.669 0.273 -10.592 1.00 0.00 H new ATOM 0 HB3 ASN A 874 4.994 1.173 -11.936 1.00 0.00 H new ATOM 0 HD21 ASN A 874 8.228 2.581 -12.271 1.00 0.00 H new ATOM 0 HD22 ASN A 874 7.008 1.486 -12.929 1.00 0.00 H new ATOM 378 N LYS A 875 2.597 3.593 -10.024 1.00 0.00 N ATOM 379 CA LYS A 875 2.004 4.887 -10.325 1.00 0.00 C ATOM 380 C LYS A 875 1.797 5.694 -9.047 1.00 0.00 C ATOM 381 O LYS A 875 1.443 5.135 -7.997 1.00 0.00 O ATOM 382 CB LYS A 875 0.652 4.756 -11.024 1.00 0.00 C ATOM 383 CG LYS A 875 0.661 4.045 -12.358 1.00 0.00 C ATOM 384 CD LYS A 875 -0.757 3.947 -12.905 1.00 0.00 C ATOM 385 CE LYS A 875 -0.824 3.204 -14.228 1.00 0.00 C ATOM 386 NZ LYS A 875 -0.395 1.790 -14.108 1.00 0.00 N ATOM 0 H LYS A 875 2.007 2.985 -9.456 1.00 0.00 H new ATOM 0 HA LYS A 875 2.701 5.394 -10.992 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -0.029 4.227 -10.358 1.00 0.00 H new ATOM 0 HB3 LYS A 875 0.243 5.756 -11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 875 1.295 4.584 -13.062 1.00 0.00 H new ATOM 0 HG3 LYS A 875 1.086 3.048 -12.245 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -1.389 3.440 -12.176 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -1.162 4.951 -13.035 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -1.844 3.239 -14.610 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -0.193 3.711 -14.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -0.459 1.328 -15.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 0.588 1.753 -13.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -1.012 1.296 -13.432 1.00 0.00 H new ATOM 400 N PRO A 876 2.053 6.999 -9.106 1.00 0.00 N ATOM 401 CA PRO A 876 1.801 7.917 -7.998 1.00 0.00 C ATOM 402 C PRO A 876 0.313 8.187 -7.783 1.00 0.00 C ATOM 403 O PRO A 876 -0.544 7.805 -8.603 1.00 0.00 O ATOM 404 CB PRO A 876 2.488 9.217 -8.439 1.00 0.00 C ATOM 405 CG PRO A 876 2.547 9.139 -9.920 1.00 0.00 C ATOM 406 CD PRO A 876 2.660 7.684 -10.256 1.00 0.00 C ATOM 0 HA PRO A 876 2.169 7.506 -7.058 1.00 0.00 H new ATOM 0 HB2 PRO A 876 1.925 10.091 -8.112 1.00 0.00 H new ATOM 0 HB3 PRO A 876 3.486 9.301 -8.008 1.00 0.00 H new ATOM 0 HG2 PRO A 876 1.654 9.574 -10.369 1.00 0.00 H new ATOM 0 HG3 PRO A 876 3.401 9.695 -10.306 1.00 0.00 H new ATOM 0 HD2 PRO A 876 2.136 7.448 -11.182 1.00 0.00 H new ATOM 0 HD3 PRO A 876 3.700 7.387 -10.393 1.00 0.00 H new ATOM 414 N ASP A 877 0.012 8.787 -6.654 1.00 0.00 N ATOM 415 CA ASP A 877 -1.317 9.262 -6.362 1.00 0.00 C ATOM 416 C ASP A 877 -1.663 10.375 -7.307 1.00 0.00 C ATOM 417 O ASP A 877 -0.829 11.239 -7.608 1.00 0.00 O ATOM 418 CB ASP A 877 -1.446 9.760 -4.926 1.00 0.00 C ATOM 419 CG ASP A 877 -2.792 10.424 -4.687 1.00 0.00 C ATOM 420 OD1 ASP A 877 -3.822 9.735 -4.678 1.00 0.00 O ATOM 421 OD2 ASP A 877 -2.843 11.654 -4.542 1.00 0.00 O ATOM 0 H ASP A 877 0.688 8.959 -5.910 1.00 0.00 H new ATOM 0 HA ASP A 877 -2.005 8.425 -6.485 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -1.324 8.924 -4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -0.646 10.469 -4.712 1.00 0.00 H new ATOM 426 N ASP A 878 -2.856 10.354 -7.774 1.00 0.00 N ATOM 427 CA ASP A 878 -3.308 11.328 -8.730 1.00 0.00 C ATOM 428 C ASP A 878 -4.557 11.998 -8.169 1.00 0.00 C ATOM 429 O ASP A 878 -5.458 12.424 -8.899 1.00 0.00 O ATOM 430 CB ASP A 878 -3.594 10.593 -10.043 1.00 0.00 C ATOM 431 CG ASP A 878 -3.747 11.508 -11.226 1.00 0.00 C ATOM 432 OD1 ASP A 878 -2.741 12.123 -11.635 1.00 0.00 O ATOM 433 OD2 ASP A 878 -4.867 11.601 -11.789 1.00 0.00 O ATOM 0 H ASP A 878 -3.559 9.663 -7.511 1.00 0.00 H new ATOM 0 HA ASP A 878 -2.563 12.101 -8.919 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -2.784 9.891 -10.240 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -4.505 10.005 -9.929 1.00 0.00 H new ATOM 438 N GLY A 879 -4.577 12.134 -6.849 1.00 0.00 N ATOM 439 CA GLY A 879 -5.752 12.612 -6.173 1.00 0.00 C ATOM 440 C GLY A 879 -6.749 11.498 -6.163 1.00 0.00 C ATOM 441 O GLY A 879 -7.926 11.676 -6.502 1.00 0.00 O ATOM 0 H GLY A 879 -3.790 11.918 -6.237 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -5.511 12.920 -5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -6.159 13.486 -6.682 1.00 0.00 H new ATOM 445 N SER A 880 -6.269 10.350 -5.795 1.00 0.00 N ATOM 446 CA SER A 880 -7.008 9.137 -5.879 1.00 0.00 C ATOM 447 C SER A 880 -7.161 8.491 -4.501 1.00 0.00 C ATOM 448 O SER A 880 -6.317 8.695 -3.626 1.00 0.00 O ATOM 449 CB SER A 880 -6.271 8.212 -6.862 1.00 0.00 C ATOM 450 OG SER A 880 -4.850 8.223 -6.621 1.00 0.00 O ATOM 0 H SER A 880 -5.328 10.232 -5.419 1.00 0.00 H new ATOM 0 HA SER A 880 -8.018 9.330 -6.240 1.00 0.00 H new ATOM 0 HB2 SER A 880 -6.651 7.195 -6.764 1.00 0.00 H new ATOM 0 HB3 SER A 880 -6.472 8.530 -7.885 1.00 0.00 H new ATOM 0 HG SER A 880 -4.677 8.505 -5.699 1.00 0.00 H new ATOM 456 N PRO A 881 -8.262 7.766 -4.258 1.00 0.00 N ATOM 457 CA PRO A 881 -8.448 7.037 -3.009 1.00 0.00 C ATOM 458 C PRO A 881 -7.405 5.927 -2.880 1.00 0.00 C ATOM 459 O PRO A 881 -7.221 5.091 -3.801 1.00 0.00 O ATOM 460 CB PRO A 881 -9.854 6.442 -3.125 1.00 0.00 C ATOM 461 CG PRO A 881 -10.512 7.190 -4.225 1.00 0.00 C ATOM 462 CD PRO A 881 -9.417 7.615 -5.153 1.00 0.00 C ATOM 0 HA PRO A 881 -8.336 7.673 -2.131 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -9.812 5.376 -3.346 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -10.405 6.552 -2.191 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -11.239 6.563 -4.742 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -11.053 8.054 -3.839 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -9.233 6.870 -5.927 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -9.659 8.549 -5.661 1.00 0.00 H new ATOM 470 N MET A 882 -6.701 5.928 -1.786 1.00 0.00 N ATOM 471 CA MET A 882 -5.657 4.969 -1.578 1.00 0.00 C ATOM 472 C MET A 882 -5.844 4.292 -0.256 1.00 0.00 C ATOM 473 O MET A 882 -6.514 4.818 0.637 1.00 0.00 O ATOM 474 CB MET A 882 -4.260 5.611 -1.672 1.00 0.00 C ATOM 475 CG MET A 882 -3.968 6.256 -3.018 1.00 0.00 C ATOM 476 SD MET A 882 -2.294 6.915 -3.154 1.00 0.00 S ATOM 477 CE MET A 882 -1.335 5.411 -3.291 1.00 0.00 C ATOM 0 H MET A 882 -6.833 6.588 -1.019 1.00 0.00 H new ATOM 0 HA MET A 882 -5.720 4.225 -2.372 1.00 0.00 H new ATOM 0 HB2 MET A 882 -4.164 6.365 -0.890 1.00 0.00 H new ATOM 0 HB3 MET A 882 -3.506 4.849 -1.474 1.00 0.00 H new ATOM 0 HG2 MET A 882 -4.125 5.520 -3.806 1.00 0.00 H new ATOM 0 HG3 MET A 882 -4.682 7.062 -3.188 1.00 0.00 H new ATOM 0 HE1 MET A 882 -0.689 5.311 -2.419 1.00 0.00 H new ATOM 0 HE2 MET A 882 -2.007 4.555 -3.345 1.00 0.00 H new ATOM 0 HE3 MET A 882 -0.724 5.450 -4.193 1.00 0.00 H new ATOM 487 N ILE A 883 -5.277 3.139 -0.131 1.00 0.00 N ATOM 488 CA ILE A 883 -5.385 2.361 1.055 1.00 0.00 C ATOM 489 C ILE A 883 -3.994 1.869 1.441 1.00 0.00 C ATOM 490 O ILE A 883 -3.190 1.522 0.571 1.00 0.00 O ATOM 491 CB ILE A 883 -6.393 1.174 0.859 1.00 0.00 C ATOM 492 CG1 ILE A 883 -6.585 0.404 2.174 1.00 0.00 C ATOM 493 CG2 ILE A 883 -5.963 0.248 -0.293 1.00 0.00 C ATOM 494 CD1 ILE A 883 -7.755 -0.548 2.163 1.00 0.00 C ATOM 0 H ILE A 883 -4.716 2.704 -0.864 1.00 0.00 H new ATOM 0 HA ILE A 883 -5.782 2.972 1.865 1.00 0.00 H new ATOM 0 HB ILE A 883 -7.358 1.594 0.577 1.00 0.00 H new ATOM 0 HG12 ILE A 883 -5.676 -0.157 2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 883 -6.719 1.119 2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 883 -6.685 -0.562 -0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 883 -5.919 0.818 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 883 -4.979 -0.169 -0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 883 -7.823 -1.053 3.127 1.00 0.00 H new ATOM 0 HD12 ILE A 883 -8.674 0.008 1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 883 -7.615 -1.288 1.375 1.00 0.00 H new ATOM 506 N GLY A 884 -3.685 1.913 2.706 1.00 0.00 N ATOM 507 CA GLY A 884 -2.393 1.494 3.150 1.00 0.00 C ATOM 508 C GLY A 884 -2.470 0.166 3.820 1.00 0.00 C ATOM 509 O GLY A 884 -3.542 -0.214 4.324 1.00 0.00 O ATOM 0 H GLY A 884 -4.311 2.235 3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 884 -1.712 1.439 2.301 1.00 0.00 H new ATOM 0 HA3 GLY A 884 -1.984 2.232 3.840 1.00 0.00 H new ATOM 513 N CYS A 885 -1.383 -0.561 3.828 1.00 0.00 N ATOM 514 CA CYS A 885 -1.377 -1.823 4.457 1.00 0.00 C ATOM 515 C CYS A 885 -1.366 -1.697 5.992 1.00 0.00 C ATOM 516 O CYS A 885 -0.676 -0.837 6.562 1.00 0.00 O ATOM 517 CB CYS A 885 -0.282 -2.713 3.859 1.00 0.00 C ATOM 518 SG CYS A 885 1.329 -1.915 3.474 1.00 0.00 S ATOM 0 H CYS A 885 -0.498 -0.286 3.401 1.00 0.00 H new ATOM 0 HA CYS A 885 -2.313 -2.340 4.248 1.00 0.00 H new ATOM 0 HB2 CYS A 885 -0.096 -3.533 4.553 1.00 0.00 H new ATOM 0 HB3 CYS A 885 -0.669 -3.154 2.940 1.00 0.00 H new ATOM 0 HG CYS A 885 2.122 -2.784 2.920 1.00 0.00 H new ATOM 523 N ASP A 886 -2.198 -2.508 6.635 1.00 0.00 N ATOM 524 CA ASP A 886 -2.415 -2.448 8.091 1.00 0.00 C ATOM 525 C ASP A 886 -1.166 -2.806 8.856 1.00 0.00 C ATOM 526 O ASP A 886 -0.744 -2.082 9.767 1.00 0.00 O ATOM 527 CB ASP A 886 -3.537 -3.407 8.511 1.00 0.00 C ATOM 528 CG ASP A 886 -3.897 -3.298 9.980 1.00 0.00 C ATOM 529 OD1 ASP A 886 -3.305 -4.005 10.815 1.00 0.00 O ATOM 530 OD2 ASP A 886 -4.800 -2.511 10.317 1.00 0.00 O ATOM 0 H ASP A 886 -2.746 -3.230 6.168 1.00 0.00 H new ATOM 0 HA ASP A 886 -2.693 -1.421 8.327 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -4.424 -3.204 7.910 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -3.232 -4.431 8.293 1.00 0.00 H new ATOM 535 N ASP A 887 -0.570 -3.901 8.470 1.00 0.00 N ATOM 536 CA ASP A 887 0.593 -4.439 9.167 1.00 0.00 C ATOM 537 C ASP A 887 1.806 -3.703 8.729 1.00 0.00 C ATOM 538 O ASP A 887 2.607 -3.194 9.529 1.00 0.00 O ATOM 539 CB ASP A 887 0.831 -5.905 8.730 1.00 0.00 C ATOM 540 CG ASP A 887 1.798 -6.656 9.612 1.00 0.00 C ATOM 541 OD1 ASP A 887 1.367 -7.179 10.659 1.00 0.00 O ATOM 542 OD2 ASP A 887 3.000 -6.758 9.266 1.00 0.00 O ATOM 0 H ASP A 887 -0.867 -4.454 7.666 1.00 0.00 H new ATOM 0 HA ASP A 887 0.417 -4.355 10.239 1.00 0.00 H new ATOM 0 HB2 ASP A 887 -0.123 -6.431 8.723 1.00 0.00 H new ATOM 0 HB3 ASP A 887 1.207 -5.913 7.707 1.00 0.00 H new ATOM 547 N CYS A 888 1.882 -3.631 7.457 1.00 0.00 N ATOM 548 CA CYS A 888 3.015 -3.325 6.731 1.00 0.00 C ATOM 549 C CYS A 888 3.523 -1.859 6.715 1.00 0.00 C ATOM 550 O CYS A 888 4.083 -1.397 7.723 1.00 0.00 O ATOM 551 CB CYS A 888 2.718 -3.900 5.406 1.00 0.00 C ATOM 552 SG CYS A 888 1.216 -5.005 5.473 1.00 0.00 S ATOM 0 H CYS A 888 1.073 -3.803 6.860 1.00 0.00 H new ATOM 0 HA CYS A 888 3.895 -3.747 7.216 1.00 0.00 H new ATOM 0 HB2 CYS A 888 2.551 -3.098 4.687 1.00 0.00 H new ATOM 0 HB3 CYS A 888 3.577 -4.470 5.053 1.00 0.00 H new ATOM 0 HG CYS A 888 1.572 -6.199 5.846 1.00 0.00 H new ATOM 557 N ASP A 889 3.297 -1.114 5.621 1.00 0.00 N ATOM 558 CA ASP A 889 4.027 0.185 5.434 1.00 0.00 C ATOM 559 C ASP A 889 3.640 0.963 4.148 1.00 0.00 C ATOM 560 O ASP A 889 3.760 2.202 4.094 1.00 0.00 O ATOM 561 CB ASP A 889 5.536 -0.154 5.363 1.00 0.00 C ATOM 562 CG ASP A 889 6.470 0.994 5.042 1.00 0.00 C ATOM 563 OD1 ASP A 889 6.687 1.278 3.858 1.00 0.00 O ATOM 564 OD2 ASP A 889 7.090 1.554 5.965 1.00 0.00 O ATOM 0 H ASP A 889 2.648 -1.359 4.873 1.00 0.00 H new ATOM 0 HA ASP A 889 3.761 0.834 6.269 1.00 0.00 H new ATOM 0 HB2 ASP A 889 5.836 -0.581 6.320 1.00 0.00 H new ATOM 0 HB3 ASP A 889 5.677 -0.930 4.610 1.00 0.00 H new ATOM 569 N ASP A 890 3.162 0.272 3.147 1.00 0.00 N ATOM 570 CA ASP A 890 2.958 0.871 1.829 1.00 0.00 C ATOM 571 C ASP A 890 1.566 1.451 1.680 1.00 0.00 C ATOM 572 O ASP A 890 0.704 1.299 2.559 1.00 0.00 O ATOM 573 CB ASP A 890 3.175 -0.145 0.690 1.00 0.00 C ATOM 574 CG ASP A 890 4.531 -0.811 0.660 1.00 0.00 C ATOM 575 OD1 ASP A 890 5.515 -0.190 0.220 1.00 0.00 O ATOM 576 OD2 ASP A 890 4.629 -2.004 1.016 1.00 0.00 O ATOM 0 H ASP A 890 2.902 -0.712 3.207 1.00 0.00 H new ATOM 0 HA ASP A 890 3.699 1.667 1.754 1.00 0.00 H new ATOM 0 HB2 ASP A 890 2.411 -0.919 0.767 1.00 0.00 H new ATOM 0 HB3 ASP A 890 3.019 0.364 -0.261 1.00 0.00 H new ATOM 581 N TRP A 891 1.361 2.124 0.567 1.00 0.00 N ATOM 582 CA TRP A 891 0.088 2.700 0.194 1.00 0.00 C ATOM 583 C TRP A 891 -0.213 2.346 -1.243 1.00 0.00 C ATOM 584 O TRP A 891 0.618 2.563 -2.131 1.00 0.00 O ATOM 585 CB TRP A 891 0.079 4.222 0.382 1.00 0.00 C ATOM 586 CG TRP A 891 -0.068 4.670 1.806 1.00 0.00 C ATOM 587 CD1 TRP A 891 0.908 4.751 2.763 1.00 0.00 C ATOM 588 CD2 TRP A 891 -1.274 5.116 2.425 1.00 0.00 C ATOM 589 NE1 TRP A 891 0.371 5.211 3.943 1.00 0.00 N ATOM 590 CE2 TRP A 891 -0.969 5.445 3.757 1.00 0.00 C ATOM 591 CE3 TRP A 891 -2.590 5.267 1.977 1.00 0.00 C ATOM 592 CZ2 TRP A 891 -1.932 5.914 4.643 1.00 0.00 C ATOM 593 CZ3 TRP A 891 -3.543 5.733 2.855 1.00 0.00 C ATOM 594 CH2 TRP A 891 -3.211 6.051 4.174 1.00 0.00 C ATOM 0 H TRP A 891 2.096 2.289 -0.121 1.00 0.00 H new ATOM 0 HA TRP A 891 -0.683 2.289 0.846 1.00 0.00 H new ATOM 0 HB2 TRP A 891 1.006 4.631 -0.021 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -0.737 4.643 -0.205 1.00 0.00 H new ATOM 0 HD1 TRP A 891 1.946 4.492 2.614 1.00 0.00 H new ATOM 0 HE1 TRP A 891 0.884 5.355 4.813 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -2.855 5.022 0.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -1.681 6.161 5.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -4.562 5.854 2.519 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -3.981 6.413 4.839 1.00 0.00 H new ATOM 605 N TYR A 892 -1.376 1.794 -1.465 1.00 0.00 N ATOM 606 CA TYR A 892 -1.786 1.339 -2.775 1.00 0.00 C ATOM 607 C TYR A 892 -3.064 2.023 -3.171 1.00 0.00 C ATOM 608 O TYR A 892 -3.767 2.559 -2.324 1.00 0.00 O ATOM 609 CB TYR A 892 -2.014 -0.178 -2.764 1.00 0.00 C ATOM 610 CG TYR A 892 -0.809 -0.966 -2.338 1.00 0.00 C ATOM 611 CD1 TYR A 892 0.135 -1.380 -3.259 1.00 0.00 C ATOM 612 CD2 TYR A 892 -0.609 -1.280 -1.006 1.00 0.00 C ATOM 613 CE1 TYR A 892 1.246 -2.089 -2.863 1.00 0.00 C ATOM 614 CE2 TYR A 892 0.490 -1.974 -0.605 1.00 0.00 C ATOM 615 CZ TYR A 892 1.417 -2.381 -1.531 1.00 0.00 C ATOM 616 OH TYR A 892 2.524 -3.071 -1.117 1.00 0.00 O ATOM 0 H TYR A 892 -2.075 1.644 -0.737 1.00 0.00 H new ATOM 0 HA TYR A 892 -0.999 1.580 -3.489 1.00 0.00 H new ATOM 0 HB2 TYR A 892 -2.843 -0.407 -2.094 1.00 0.00 H new ATOM 0 HB3 TYR A 892 -2.313 -0.499 -3.762 1.00 0.00 H new ATOM 0 HD1 TYR A 892 -0.001 -1.144 -4.304 1.00 0.00 H new ATOM 0 HD2 TYR A 892 -1.338 -0.969 -0.272 1.00 0.00 H new ATOM 0 HE1 TYR A 892 1.975 -2.412 -3.591 1.00 0.00 H new ATOM 0 HE2 TYR A 892 0.633 -2.204 0.440 1.00 0.00 H new ATOM 0 HH TYR A 892 2.489 -3.192 -0.145 1.00 0.00 H new ATOM 626 N HIS A 893 -3.373 1.996 -4.433 1.00 0.00 N ATOM 627 CA HIS A 893 -4.605 2.610 -4.924 1.00 0.00 C ATOM 628 C HIS A 893 -5.755 1.641 -4.766 1.00 0.00 C ATOM 629 O HIS A 893 -5.549 0.419 -4.800 1.00 0.00 O ATOM 630 CB HIS A 893 -4.509 3.002 -6.407 1.00 0.00 C ATOM 631 CG HIS A 893 -3.480 4.029 -6.749 1.00 0.00 C ATOM 632 ND1 HIS A 893 -2.336 3.689 -7.429 1.00 0.00 N ATOM 633 CD2 HIS A 893 -3.498 5.363 -6.550 1.00 0.00 C ATOM 634 CE1 HIS A 893 -1.687 4.840 -7.630 1.00 0.00 C ATOM 635 NE2 HIS A 893 -2.352 5.864 -7.115 1.00 0.00 N ATOM 0 H HIS A 893 -2.799 1.559 -5.154 1.00 0.00 H new ATOM 0 HA HIS A 893 -4.767 3.513 -4.336 1.00 0.00 H new ATOM 0 HB2 HIS A 893 -4.302 2.103 -6.987 1.00 0.00 H new ATOM 0 HB3 HIS A 893 -5.483 3.372 -6.728 1.00 0.00 H new ATOM 0 HD1 HIS A 893 -2.044 2.756 -7.719 1.00 0.00 H new ATOM 0 HD2 HIS A 893 -4.266 5.928 -6.043 1.00 0.00 H new ATOM 0 HE1 HIS A 893 -0.742 4.925 -8.146 1.00 0.00 H new ATOM 643 N TRP A 894 -6.955 2.176 -4.604 1.00 0.00 N ATOM 644 CA TRP A 894 -8.166 1.358 -4.510 1.00 0.00 C ATOM 645 C TRP A 894 -8.332 0.365 -5.688 1.00 0.00 C ATOM 646 O TRP A 894 -8.408 -0.845 -5.444 1.00 0.00 O ATOM 647 CB TRP A 894 -9.431 2.212 -4.326 1.00 0.00 C ATOM 648 CG TRP A 894 -9.695 2.669 -2.921 1.00 0.00 C ATOM 649 CD1 TRP A 894 -8.843 2.634 -1.846 1.00 0.00 C ATOM 650 CD2 TRP A 894 -10.928 3.204 -2.437 1.00 0.00 C ATOM 651 NE1 TRP A 894 -9.474 3.137 -0.732 1.00 0.00 N ATOM 652 CE2 TRP A 894 -10.757 3.491 -1.072 1.00 0.00 C ATOM 653 CE3 TRP A 894 -12.163 3.474 -3.036 1.00 0.00 C ATOM 654 CZ2 TRP A 894 -11.777 4.033 -0.299 1.00 0.00 C ATOM 655 CZ3 TRP A 894 -13.172 4.012 -2.266 1.00 0.00 C ATOM 656 CH2 TRP A 894 -12.973 4.286 -0.912 1.00 0.00 C ATOM 0 H TRP A 894 -7.122 3.180 -4.534 1.00 0.00 H new ATOM 0 HA TRP A 894 -8.035 0.755 -3.612 1.00 0.00 H new ATOM 0 HB2 TRP A 894 -9.354 3.090 -4.968 1.00 0.00 H new ATOM 0 HB3 TRP A 894 -10.291 1.638 -4.672 1.00 0.00 H new ATOM 0 HD1 TRP A 894 -7.828 2.266 -1.871 1.00 0.00 H new ATOM 0 HE1 TRP A 894 -9.058 3.232 0.194 1.00 0.00 H new ATOM 0 HE3 TRP A 894 -12.323 3.265 -4.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 -11.630 4.247 0.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 -14.130 4.224 -2.717 1.00 0.00 H new ATOM 0 HH2 TRP A 894 -13.783 4.708 -0.335 1.00 0.00 H new ATOM 667 N PRO A 895 -8.346 0.821 -6.979 1.00 0.00 N ATOM 668 CA PRO A 895 -8.537 -0.083 -8.131 1.00 0.00 C ATOM 669 C PRO A 895 -7.393 -1.093 -8.332 1.00 0.00 C ATOM 670 O PRO A 895 -7.538 -2.064 -9.081 1.00 0.00 O ATOM 671 CB PRO A 895 -8.622 0.868 -9.335 1.00 0.00 C ATOM 672 CG PRO A 895 -7.924 2.102 -8.886 1.00 0.00 C ATOM 673 CD PRO A 895 -8.242 2.233 -7.432 1.00 0.00 C ATOM 0 HA PRO A 895 -9.421 -0.705 -7.986 1.00 0.00 H new ATOM 0 HB2 PRO A 895 -8.142 0.439 -10.214 1.00 0.00 H new ATOM 0 HB3 PRO A 895 -9.658 1.074 -9.606 1.00 0.00 H new ATOM 0 HG2 PRO A 895 -6.849 2.026 -9.047 1.00 0.00 H new ATOM 0 HG3 PRO A 895 -8.269 2.973 -9.443 1.00 0.00 H new ATOM 0 HD2 PRO A 895 -7.461 2.771 -6.896 1.00 0.00 H new ATOM 0 HD3 PRO A 895 -9.172 2.777 -7.271 1.00 0.00 H new ATOM 681 N CYS A 896 -6.273 -0.882 -7.669 1.00 0.00 N ATOM 682 CA CYS A 896 -5.142 -1.774 -7.813 1.00 0.00 C ATOM 683 C CYS A 896 -5.345 -3.042 -7.019 1.00 0.00 C ATOM 684 O CYS A 896 -5.050 -4.150 -7.484 1.00 0.00 O ATOM 685 CB CYS A 896 -3.878 -1.068 -7.352 1.00 0.00 C ATOM 686 SG CYS A 896 -3.451 0.380 -8.363 1.00 0.00 S ATOM 0 H CYS A 896 -6.123 -0.103 -7.028 1.00 0.00 H new ATOM 0 HA CYS A 896 -5.047 -2.047 -8.864 1.00 0.00 H new ATOM 0 HB2 CYS A 896 -4.003 -0.754 -6.316 1.00 0.00 H new ATOM 0 HB3 CYS A 896 -3.048 -1.774 -7.373 1.00 0.00 H new ATOM 0 HG CYS A 896 -2.286 0.199 -8.910 1.00 0.00 H new ATOM 691 N VAL A 897 -5.871 -2.879 -5.851 1.00 0.00 N ATOM 692 CA VAL A 897 -6.043 -3.976 -4.949 1.00 0.00 C ATOM 693 C VAL A 897 -7.478 -4.486 -4.990 1.00 0.00 C ATOM 694 O VAL A 897 -7.739 -5.662 -4.736 1.00 0.00 O ATOM 695 CB VAL A 897 -5.626 -3.572 -3.517 1.00 0.00 C ATOM 696 CG1 VAL A 897 -4.142 -3.244 -3.482 1.00 0.00 C ATOM 697 CG2 VAL A 897 -6.413 -2.369 -3.070 1.00 0.00 C ATOM 0 H VAL A 897 -6.195 -1.981 -5.491 1.00 0.00 H new ATOM 0 HA VAL A 897 -5.394 -4.792 -5.266 1.00 0.00 H new ATOM 0 HB VAL A 897 -5.829 -4.406 -2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 897 -3.856 -2.960 -2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 897 -3.569 -4.119 -3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 897 -3.936 -2.418 -4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 897 -6.112 -2.092 -2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 897 -6.221 -1.537 -3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 897 -7.477 -2.606 -3.079 1.00 0.00 H new ATOM 707 N GLY A 898 -8.397 -3.609 -5.346 1.00 0.00 N ATOM 708 CA GLY A 898 -9.766 -4.005 -5.461 1.00 0.00 C ATOM 709 C GLY A 898 -10.644 -3.421 -4.389 1.00 0.00 C ATOM 710 O GLY A 898 -11.578 -4.074 -3.913 1.00 0.00 O ATOM 0 H GLY A 898 -8.212 -2.628 -5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 898 -10.145 -3.701 -6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 898 -9.828 -5.092 -5.420 1.00 0.00 H new ATOM 714 N ILE A 899 -10.359 -2.211 -3.987 1.00 0.00 N ATOM 715 CA ILE A 899 -11.205 -1.559 -3.029 1.00 0.00 C ATOM 716 C ILE A 899 -12.247 -0.820 -3.811 1.00 0.00 C ATOM 717 O ILE A 899 -11.951 0.163 -4.486 1.00 0.00 O ATOM 718 CB ILE A 899 -10.471 -0.551 -2.114 1.00 0.00 C ATOM 719 CG1 ILE A 899 -9.263 -1.171 -1.427 1.00 0.00 C ATOM 720 CG2 ILE A 899 -11.430 -0.011 -1.069 1.00 0.00 C ATOM 721 CD1 ILE A 899 -9.574 -2.353 -0.545 1.00 0.00 C ATOM 0 H ILE A 899 -9.558 -1.664 -4.304 1.00 0.00 H new ATOM 0 HA ILE A 899 -11.613 -2.323 -2.367 1.00 0.00 H new ATOM 0 HB ILE A 899 -10.110 0.260 -2.746 1.00 0.00 H new ATOM 0 HG12 ILE A 899 -8.549 -1.483 -2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 899 -8.773 -0.406 -0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 899 -10.907 0.698 -0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 899 -12.262 0.491 -1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 899 -11.811 -0.834 -0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 899 -8.652 -2.727 -0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 899 -10.261 -2.047 0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 899 -10.034 -3.141 -1.141 1.00 0.00 H new ATOM 733 N MET A 900 -13.426 -1.329 -3.789 1.00 0.00 N ATOM 734 CA MET A 900 -14.513 -0.738 -4.510 1.00 0.00 C ATOM 735 C MET A 900 -15.240 0.225 -3.610 1.00 0.00 C ATOM 736 O MET A 900 -15.848 1.197 -4.074 1.00 0.00 O ATOM 737 CB MET A 900 -15.460 -1.816 -5.020 1.00 0.00 C ATOM 738 CG MET A 900 -14.784 -2.867 -5.892 1.00 0.00 C ATOM 739 SD MET A 900 -13.987 -2.180 -7.357 1.00 0.00 S ATOM 740 CE MET A 900 -15.401 -1.513 -8.230 1.00 0.00 C ATOM 0 H MET A 900 -13.673 -2.172 -3.270 1.00 0.00 H new ATOM 0 HA MET A 900 -14.124 -0.197 -5.373 1.00 0.00 H new ATOM 0 HB2 MET A 900 -15.926 -2.310 -4.167 1.00 0.00 H new ATOM 0 HB3 MET A 900 -16.260 -1.344 -5.591 1.00 0.00 H new ATOM 0 HG2 MET A 900 -14.040 -3.397 -5.298 1.00 0.00 H new ATOM 0 HG3 MET A 900 -15.526 -3.602 -6.203 1.00 0.00 H new ATOM 0 HE1 MET A 900 -15.118 -1.279 -9.256 1.00 0.00 H new ATOM 0 HE2 MET A 900 -16.206 -2.248 -8.234 1.00 0.00 H new ATOM 0 HE3 MET A 900 -15.741 -0.605 -7.732 1.00 0.00 H new ATOM 750 N ALA A 901 -15.137 -0.029 -2.324 1.00 0.00 N ATOM 751 CA ALA A 901 -15.764 0.764 -1.311 1.00 0.00 C ATOM 752 C ALA A 901 -14.934 0.658 -0.071 1.00 0.00 C ATOM 753 O ALA A 901 -14.322 -0.392 0.154 1.00 0.00 O ATOM 754 CB ALA A 901 -17.174 0.274 -1.046 1.00 0.00 C ATOM 0 H ALA A 901 -14.600 -0.813 -1.954 1.00 0.00 H new ATOM 0 HA ALA A 901 -15.833 1.802 -1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 901 -17.634 0.890 -0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 901 -17.761 0.343 -1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 901 -17.142 -0.763 -0.713 1.00 0.00 H new ATOM 760 N ALA A 902 -14.908 1.719 0.713 1.00 0.00 N ATOM 761 CA ALA A 902 -14.100 1.800 1.920 1.00 0.00 C ATOM 762 C ALA A 902 -14.433 0.676 2.907 1.00 0.00 C ATOM 763 O ALA A 902 -15.568 0.579 3.394 1.00 0.00 O ATOM 764 CB ALA A 902 -14.270 3.162 2.582 1.00 0.00 C ATOM 0 H ALA A 902 -15.454 2.561 0.529 1.00 0.00 H new ATOM 0 HA ALA A 902 -13.057 1.677 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -13.659 3.207 3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -13.955 3.944 1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -15.317 3.310 2.845 1.00 0.00 H new ATOM 770 N PRO A 903 -13.476 -0.226 3.150 1.00 0.00 N ATOM 771 CA PRO A 903 -13.635 -1.311 4.114 1.00 0.00 C ATOM 772 C PRO A 903 -13.602 -0.781 5.546 1.00 0.00 C ATOM 773 O PRO A 903 -12.934 0.221 5.818 1.00 0.00 O ATOM 774 CB PRO A 903 -12.415 -2.212 3.853 1.00 0.00 C ATOM 775 CG PRO A 903 -11.402 -1.314 3.238 1.00 0.00 C ATOM 776 CD PRO A 903 -12.169 -0.275 2.471 1.00 0.00 C ATOM 0 HA PRO A 903 -14.586 -1.831 4.003 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -12.043 -2.652 4.778 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -12.668 -3.037 3.187 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -10.778 -0.851 4.002 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -10.737 -1.872 2.579 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -11.668 0.693 2.499 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -12.274 -0.550 1.421 1.00 0.00 H new ATOM 845 N GLN A 908 -8.588 -5.760 9.688 1.00 0.00 N ATOM 846 CA GLN A 908 -7.249 -5.552 9.203 1.00 0.00 C ATOM 847 C GLN A 908 -7.201 -5.852 7.733 1.00 0.00 C ATOM 848 O GLN A 908 -7.847 -6.794 7.252 1.00 0.00 O ATOM 849 CB GLN A 908 -6.224 -6.404 9.929 1.00 0.00 C ATOM 850 CG GLN A 908 -6.059 -6.086 11.401 1.00 0.00 C ATOM 851 CD GLN A 908 -4.941 -6.888 12.031 1.00 0.00 C ATOM 852 OE1 GLN A 908 -5.151 -7.983 12.543 1.00 0.00 O ATOM 853 NE2 GLN A 908 -3.751 -6.368 11.980 1.00 0.00 N ATOM 0 HA GLN A 908 -6.992 -4.510 9.392 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -6.507 -7.452 9.828 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -5.259 -6.285 9.436 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -5.855 -5.022 11.522 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -6.993 -6.293 11.924 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -3.611 -5.455 11.547 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -2.957 -6.873 12.373 1.00 0.00 H new ATOM 862 N TRP A 909 -6.449 -5.076 7.030 1.00 0.00 N ATOM 863 CA TRP A 909 -6.334 -5.211 5.609 1.00 0.00 C ATOM 864 C TRP A 909 -4.876 -5.297 5.230 1.00 0.00 C ATOM 865 O TRP A 909 -4.073 -4.431 5.613 1.00 0.00 O ATOM 866 CB TRP A 909 -6.992 -4.005 4.921 1.00 0.00 C ATOM 867 CG TRP A 909 -6.939 -4.051 3.420 1.00 0.00 C ATOM 868 CD1 TRP A 909 -7.870 -4.591 2.587 1.00 0.00 C ATOM 869 CD2 TRP A 909 -5.898 -3.531 2.575 1.00 0.00 C ATOM 870 NE1 TRP A 909 -7.475 -4.437 1.283 1.00 0.00 N ATOM 871 CE2 TRP A 909 -6.266 -3.790 1.255 1.00 0.00 C ATOM 872 CE3 TRP A 909 -4.691 -2.872 2.820 1.00 0.00 C ATOM 873 CZ2 TRP A 909 -5.476 -3.413 0.181 1.00 0.00 C ATOM 874 CZ3 TRP A 909 -3.905 -2.501 1.753 1.00 0.00 C ATOM 875 CH2 TRP A 909 -4.300 -2.771 0.448 1.00 0.00 C ATOM 0 H TRP A 909 -5.889 -4.321 7.425 1.00 0.00 H new ATOM 0 HA TRP A 909 -6.840 -6.120 5.285 1.00 0.00 H new ATOM 0 HB2 TRP A 909 -8.034 -3.945 5.235 1.00 0.00 H new ATOM 0 HB3 TRP A 909 -6.503 -3.093 5.263 1.00 0.00 H new ATOM 0 HD1 TRP A 909 -8.784 -5.070 2.906 1.00 0.00 H new ATOM 0 HE1 TRP A 909 -7.996 -4.753 0.465 1.00 0.00 H new ATOM 0 HE3 TRP A 909 -4.379 -2.657 3.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 -5.780 -3.620 -0.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 -2.969 -1.993 1.932 1.00 0.00 H new ATOM 0 HH2 TRP A 909 -3.665 -2.467 -0.371 1.00 0.00 H new ATOM 886 N PHE A 910 -4.515 -6.328 4.528 1.00 0.00 N ATOM 887 CA PHE A 910 -3.170 -6.445 4.049 1.00 0.00 C ATOM 888 C PHE A 910 -3.222 -6.465 2.542 1.00 0.00 C ATOM 889 O PHE A 910 -4.197 -6.947 1.943 1.00 0.00 O ATOM 890 CB PHE A 910 -2.447 -7.688 4.629 1.00 0.00 C ATOM 891 CG PHE A 910 -2.672 -7.843 6.104 1.00 0.00 C ATOM 892 CD1 PHE A 910 -2.037 -7.017 7.002 1.00 0.00 C ATOM 893 CD2 PHE A 910 -3.569 -8.786 6.580 1.00 0.00 C ATOM 894 CE1 PHE A 910 -2.297 -7.133 8.366 1.00 0.00 C ATOM 895 CE2 PHE A 910 -3.831 -8.901 7.929 1.00 0.00 C ATOM 896 CZ PHE A 910 -3.196 -8.071 8.820 1.00 0.00 C ATOM 0 H PHE A 910 -5.132 -7.100 4.274 1.00 0.00 H new ATOM 0 HA PHE A 910 -2.581 -5.593 4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 910 -2.798 -8.582 4.115 1.00 0.00 H new ATOM 0 HB3 PHE A 910 -1.378 -7.607 4.434 1.00 0.00 H new ATOM 0 HD1 PHE A 910 -1.335 -6.276 6.649 1.00 0.00 H new ATOM 0 HD2 PHE A 910 -4.071 -9.441 5.883 1.00 0.00 H new ATOM 0 HE1 PHE A 910 -1.792 -6.486 9.068 1.00 0.00 H new ATOM 0 HE2 PHE A 910 -4.533 -9.641 8.284 1.00 0.00 H new ATOM 0 HZ PHE A 910 -3.402 -8.154 9.877 1.00 0.00 H new ATOM 906 N CYS A 911 -2.230 -5.928 1.957 1.00 0.00 N ATOM 907 CA CYS A 911 -2.129 -5.745 0.563 1.00 0.00 C ATOM 908 C CYS A 911 -1.690 -7.034 -0.133 1.00 0.00 C ATOM 909 O CYS A 911 -1.153 -7.935 0.504 1.00 0.00 O ATOM 910 CB CYS A 911 -1.067 -4.728 0.451 1.00 0.00 C ATOM 911 SG CYS A 911 0.232 -5.098 1.624 1.00 0.00 S ATOM 0 H CYS A 911 -1.416 -5.582 2.465 1.00 0.00 H new ATOM 0 HA CYS A 911 -3.074 -5.459 0.101 1.00 0.00 H new ATOM 0 HB2 CYS A 911 -0.665 -4.715 -0.562 1.00 0.00 H new ATOM 0 HB3 CYS A 911 -1.476 -3.736 0.644 1.00 0.00 H new ATOM 0 HG CYS A 911 1.260 -4.339 1.387 1.00 0.00 H new ATOM 916 N PRO A 912 -1.849 -7.121 -1.465 1.00 0.00 N ATOM 917 CA PRO A 912 -1.416 -8.293 -2.242 1.00 0.00 C ATOM 918 C PRO A 912 0.110 -8.512 -2.170 1.00 0.00 C ATOM 919 O PRO A 912 0.621 -9.557 -2.581 1.00 0.00 O ATOM 920 CB PRO A 912 -1.857 -7.947 -3.682 1.00 0.00 C ATOM 921 CG PRO A 912 -1.970 -6.452 -3.677 1.00 0.00 C ATOM 922 CD PRO A 912 -2.509 -6.119 -2.323 1.00 0.00 C ATOM 0 HA PRO A 912 -1.848 -9.220 -1.865 1.00 0.00 H new ATOM 0 HB2 PRO A 912 -1.128 -8.290 -4.416 1.00 0.00 H new ATOM 0 HB3 PRO A 912 -2.807 -8.418 -3.933 1.00 0.00 H new ATOM 0 HG2 PRO A 912 -1.002 -5.981 -3.845 1.00 0.00 H new ATOM 0 HG3 PRO A 912 -2.636 -6.102 -4.466 1.00 0.00 H new ATOM 0 HD2 PRO A 912 -2.259 -5.101 -2.025 1.00 0.00 H new ATOM 0 HD3 PRO A 912 -3.595 -6.204 -2.286 1.00 0.00 H new ATOM 930 N LYS A 913 0.822 -7.518 -1.675 1.00 0.00 N ATOM 931 CA LYS A 913 2.246 -7.616 -1.515 1.00 0.00 C ATOM 932 C LYS A 913 2.589 -8.217 -0.157 1.00 0.00 C ATOM 933 O LYS A 913 3.126 -9.322 -0.080 1.00 0.00 O ATOM 934 CB LYS A 913 2.927 -6.258 -1.699 1.00 0.00 C ATOM 935 CG LYS A 913 2.676 -5.605 -3.050 1.00 0.00 C ATOM 936 CD LYS A 913 3.067 -6.510 -4.202 1.00 0.00 C ATOM 937 CE LYS A 913 2.983 -5.777 -5.517 1.00 0.00 C ATOM 938 NZ LYS A 913 4.098 -4.828 -5.693 1.00 0.00 N ATOM 0 H LYS A 913 0.425 -6.627 -1.376 1.00 0.00 H new ATOM 0 HA LYS A 913 2.625 -8.278 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 913 2.583 -5.584 -0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 913 4.001 -6.383 -1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 913 1.621 -5.345 -3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 913 3.240 -4.674 -3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 913 4.082 -6.879 -4.051 1.00 0.00 H new ATOM 0 HD3 LYS A 913 2.411 -7.380 -4.224 1.00 0.00 H new ATOM 0 HE2 LYS A 913 2.988 -6.498 -6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 913 2.037 -5.239 -5.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 3.729 -3.918 -6.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 4.580 -4.686 -4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 4.773 -5.210 -6.386 1.00 0.00 H new ATOM 952 N CYS A 914 2.201 -7.532 0.909 1.00 0.00 N ATOM 953 CA CYS A 914 2.557 -7.940 2.248 1.00 0.00 C ATOM 954 C CYS A 914 1.776 -9.146 2.735 1.00 0.00 C ATOM 955 O CYS A 914 2.307 -9.946 3.525 1.00 0.00 O ATOM 956 CB CYS A 914 2.464 -6.751 3.198 1.00 0.00 C ATOM 957 SG CYS A 914 3.767 -5.460 2.901 1.00 0.00 S ATOM 0 H CYS A 914 1.635 -6.685 0.865 1.00 0.00 H new ATOM 0 HA CYS A 914 3.593 -8.277 2.227 1.00 0.00 H new ATOM 0 HB2 CYS A 914 1.480 -6.292 3.098 1.00 0.00 H new ATOM 0 HB3 CYS A 914 2.546 -7.109 4.224 1.00 0.00 H new ATOM 0 HG CYS A 914 3.259 -4.480 2.214 1.00 0.00 H new ATOM 962 N ALA A 915 0.565 -9.338 2.229 1.00 0.00 N ATOM 963 CA ALA A 915 -0.208 -10.496 2.618 1.00 0.00 C ATOM 964 C ALA A 915 0.381 -11.722 1.984 1.00 0.00 C ATOM 965 O ALA A 915 0.282 -12.809 2.514 1.00 0.00 O ATOM 966 CB ALA A 915 -1.653 -10.361 2.208 1.00 0.00 C ATOM 0 H ALA A 915 0.109 -8.717 1.561 1.00 0.00 H new ATOM 0 HA ALA A 915 -0.173 -10.579 3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 915 -2.203 -11.250 2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 915 -2.086 -9.482 2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 915 -1.715 -10.254 1.125 1.00 0.00 H new ATOM 972 N ASN A 916 1.051 -11.520 0.864 1.00 0.00 N ATOM 973 CA ASN A 916 1.636 -12.611 0.115 1.00 0.00 C ATOM 974 C ASN A 916 3.058 -12.881 0.602 1.00 0.00 C ATOM 975 O ASN A 916 3.726 -13.795 0.154 1.00 0.00 O ATOM 976 CB ASN A 916 1.592 -12.303 -1.383 1.00 0.00 C ATOM 977 CG ASN A 916 1.937 -13.483 -2.288 1.00 0.00 C ATOM 978 OD1 ASN A 916 1.647 -14.697 -1.850 1.00 0.00 O flip ATOM 979 ND2 ASN A 916 2.454 -13.295 -3.393 1.00 0.00 N flip ATOM 0 H ASN A 916 1.203 -10.599 0.452 1.00 0.00 H new ATOM 0 HA ASN A 916 1.055 -13.518 0.281 1.00 0.00 H new ATOM 0 HB2 ASN A 916 0.594 -11.947 -1.638 1.00 0.00 H new ATOM 0 HB3 ASN A 916 2.284 -11.487 -1.593 1.00 0.00 H new ATOM 0 HD21 ASN A 916 2.666 -12.346 -3.702 1.00 0.00 H new ATOM 0 HD22 ASN A 916 2.670 -14.088 -3.997 1.00 0.00 H new ATOM 986 N LYS A 917 3.523 -12.055 1.508 1.00 0.00 N ATOM 987 CA LYS A 917 4.789 -12.305 2.173 1.00 0.00 C ATOM 988 C LYS A 917 4.521 -13.253 3.319 1.00 0.00 C ATOM 989 O LYS A 917 5.218 -14.263 3.493 1.00 0.00 O ATOM 990 CB LYS A 917 5.384 -11.017 2.730 1.00 0.00 C ATOM 991 CG LYS A 917 5.726 -9.961 1.713 1.00 0.00 C ATOM 992 CD LYS A 917 6.829 -10.392 0.781 1.00 0.00 C ATOM 993 CE LYS A 917 7.238 -9.238 -0.105 1.00 0.00 C ATOM 994 NZ LYS A 917 7.812 -8.102 0.679 1.00 0.00 N ATOM 0 H LYS A 917 3.048 -11.203 1.805 1.00 0.00 H new ATOM 0 HA LYS A 917 5.497 -12.724 1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 917 4.679 -10.592 3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 917 6.288 -11.267 3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 917 4.836 -9.720 1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 917 6.026 -9.049 2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 917 7.687 -10.741 1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 917 6.493 -11.229 0.169 1.00 0.00 H new ATOM 0 HE2 LYS A 917 7.972 -9.583 -0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 917 6.372 -8.889 -0.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 8.377 -7.496 0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 7.040 -7.543 1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 8.419 -8.475 1.437 1.00 0.00 H new ATOM 1008 N ILE A 918 3.479 -12.911 4.083 1.00 0.00 N ATOM 1009 CA ILE A 918 3.019 -13.702 5.216 1.00 0.00 C ATOM 1010 C ILE A 918 2.462 -15.012 4.686 1.00 0.00 C ATOM 1011 O ILE A 918 2.957 -16.100 4.988 1.00 0.00 O ATOM 1012 CB ILE A 918 1.886 -12.952 5.982 1.00 0.00 C ATOM 1013 CG1 ILE A 918 2.371 -11.559 6.410 1.00 0.00 C ATOM 1014 CG2 ILE A 918 1.437 -13.762 7.204 1.00 0.00 C ATOM 1015 CD1 ILE A 918 1.303 -10.689 7.046 1.00 0.00 C ATOM 0 H ILE A 918 2.929 -12.067 3.926 1.00 0.00 H new ATOM 0 HA ILE A 918 3.852 -13.875 5.897 1.00 0.00 H new ATOM 0 HB ILE A 918 1.031 -12.836 5.315 1.00 0.00 H new ATOM 0 HG12 ILE A 918 3.194 -11.675 7.115 1.00 0.00 H new ATOM 0 HG13 ILE A 918 2.770 -11.043 5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 918 0.646 -13.224 7.727 1.00 0.00 H new ATOM 0 HG22 ILE A 918 1.062 -14.733 6.879 1.00 0.00 H new ATOM 0 HG23 ILE A 918 2.283 -13.906 7.876 1.00 0.00 H new ATOM 0 HD11 ILE A 918 1.733 -9.725 7.317 1.00 0.00 H new ATOM 0 HD12 ILE A 918 0.488 -10.537 6.338 1.00 0.00 H new ATOM 0 HD13 ILE A 918 0.919 -11.179 7.941 1.00 0.00 H new