USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=14 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 -154:sc= 1.88 USER MOD Set 1.2: A 873 CYS SG : rot -76:sc= -1.87! USER MOD Set 1.3: A 880 SER OG : rot 180:sc= 0.0818 USER MOD Set 1.4: A 893 HIS : no HE2:sc= -2.03 K(o=-5.6,f=-7!) USER MOD Set 1.5: A 896 CYS SG : rot -141:sc= -3.68! USER MOD Set 2.1: A 885 CYS SG : rot -176:sc= 1.4 USER MOD Set 2.2: A 888 CYS SG : rot -95:sc= -0.831 USER MOD Set 2.3: A 892 TYR OH : rot 67:sc= 1.29 USER MOD Set 2.4: A 911 CYS SG : rot -75:sc= 1.99 USER MOD Set 2.5: A 914 CYS SG : rot 60:sc= -0.553! USER MOD Set 2.6: A 917 LYS NZ :NH3+ 167:sc= 1.28 (180deg=-0.171) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -1.38! X(o=-1.4!,f=-1.2) USER MOD Single : A 866 GLN : amide:sc= -2.3! C(o=-2.3!,f=-7.9!) USER MOD Single : A 874 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 882 MET CE :methyl -127:sc= -0.117 (180deg=-0.61) USER MOD Single : A 900 MET CE :methyl 164:sc= -0.0756 (180deg=-0.399) USER MOD Single : A 908 GLN : amide:sc= 0.892 K(o=0.89,f=-0.043) USER MOD Single : A 913 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 916 ASN : amide:sc= -0.905 X(o=-0.91,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 857 9.097 4.052 -3.629 1.00 0.00 N ATOM 93 CA TYR A 857 7.662 4.142 -3.918 1.00 0.00 C ATOM 94 C TYR A 857 7.105 5.300 -3.103 1.00 0.00 C ATOM 95 O TYR A 857 5.928 5.363 -2.767 1.00 0.00 O ATOM 96 CB TYR A 857 6.919 2.806 -3.634 1.00 0.00 C ATOM 97 CG TYR A 857 7.271 1.673 -4.594 1.00 0.00 C ATOM 98 CD1 TYR A 857 8.434 0.930 -4.446 1.00 0.00 C ATOM 99 CD2 TYR A 857 6.429 1.353 -5.647 1.00 0.00 C ATOM 100 CE1 TYR A 857 8.747 -0.094 -5.322 1.00 0.00 C ATOM 101 CE2 TYR A 857 6.730 0.333 -6.527 1.00 0.00 C ATOM 102 CZ TYR A 857 7.889 -0.385 -6.362 1.00 0.00 C ATOM 103 OH TYR A 857 8.191 -1.403 -7.237 1.00 0.00 O ATOM 0 HA TYR A 857 7.506 4.327 -4.981 1.00 0.00 H new ATOM 0 HB2 TYR A 857 7.146 2.487 -2.617 1.00 0.00 H new ATOM 0 HB3 TYR A 857 5.845 2.985 -3.680 1.00 0.00 H new ATOM 0 HD1 TYR A 857 9.107 1.155 -3.632 1.00 0.00 H new ATOM 0 HD2 TYR A 857 5.516 1.914 -5.782 1.00 0.00 H new ATOM 0 HE1 TYR A 857 9.657 -0.662 -5.192 1.00 0.00 H new ATOM 0 HE2 TYR A 857 6.058 0.101 -7.340 1.00 0.00 H new ATOM 0 HH TYR A 857 7.482 -1.477 -7.910 1.00 0.00 H new ATOM 113 N VAL A 858 7.999 6.239 -2.850 1.00 0.00 N ATOM 114 CA VAL A 858 7.765 7.410 -2.042 1.00 0.00 C ATOM 115 C VAL A 858 8.430 8.605 -2.726 1.00 0.00 C ATOM 116 O VAL A 858 9.644 8.587 -2.979 1.00 0.00 O ATOM 117 CB VAL A 858 8.400 7.244 -0.626 1.00 0.00 C ATOM 118 CG1 VAL A 858 8.165 8.477 0.242 1.00 0.00 C ATOM 119 CG2 VAL A 858 7.880 6.000 0.078 1.00 0.00 C ATOM 0 H VAL A 858 8.948 6.199 -3.221 1.00 0.00 H new ATOM 0 HA VAL A 858 6.690 7.557 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 858 9.474 7.129 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 858 8.621 8.325 1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 858 8.612 9.349 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 858 7.094 8.639 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 858 8.344 5.917 1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 858 6.798 6.072 0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 858 8.124 5.118 -0.514 1.00 0.00 H new ATOM 129 N ILE A 859 7.657 9.595 -3.046 1.00 0.00 N ATOM 130 CA ILE A 859 8.152 10.808 -3.677 1.00 0.00 C ATOM 131 C ILE A 859 7.658 11.975 -2.849 1.00 0.00 C ATOM 132 O ILE A 859 6.607 11.875 -2.225 1.00 0.00 O ATOM 133 CB ILE A 859 7.594 10.969 -5.136 1.00 0.00 C ATOM 134 CG1 ILE A 859 7.871 9.717 -5.974 1.00 0.00 C ATOM 135 CG2 ILE A 859 8.205 12.198 -5.826 1.00 0.00 C ATOM 136 CD1 ILE A 859 7.276 9.782 -7.367 1.00 0.00 C ATOM 0 H ILE A 859 6.651 9.597 -2.880 1.00 0.00 H new ATOM 0 HA ILE A 859 9.240 10.766 -3.732 1.00 0.00 H new ATOM 0 HB ILE A 859 6.516 11.107 -5.058 1.00 0.00 H new ATOM 0 HG12 ILE A 859 8.949 9.573 -6.053 1.00 0.00 H new ATOM 0 HG13 ILE A 859 7.470 8.846 -5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 859 7.802 12.287 -6.835 1.00 0.00 H new ATOM 0 HG22 ILE A 859 7.959 13.095 -5.257 1.00 0.00 H new ATOM 0 HG23 ILE A 859 9.288 12.086 -5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 859 7.510 8.864 -7.906 1.00 0.00 H new ATOM 0 HD12 ILE A 859 6.194 9.895 -7.296 1.00 0.00 H new ATOM 0 HD13 ILE A 859 7.696 10.634 -7.902 1.00 0.00 H new ATOM 148 N ARG A 860 8.398 13.044 -2.795 1.00 0.00 N ATOM 149 CA ARG A 860 7.921 14.208 -2.122 1.00 0.00 C ATOM 150 C ARG A 860 7.274 15.161 -3.091 1.00 0.00 C ATOM 151 O ARG A 860 7.867 15.563 -4.108 1.00 0.00 O ATOM 152 CB ARG A 860 8.984 14.907 -1.286 1.00 0.00 C ATOM 153 CG ARG A 860 9.401 14.125 -0.061 1.00 0.00 C ATOM 154 CD ARG A 860 10.298 14.953 0.815 1.00 0.00 C ATOM 155 NE ARG A 860 10.452 14.380 2.153 1.00 0.00 N ATOM 156 CZ ARG A 860 10.270 15.065 3.287 1.00 0.00 C ATOM 157 NH1 ARG A 860 10.017 16.376 3.245 1.00 0.00 N ATOM 158 NH2 ARG A 860 10.356 14.450 4.451 1.00 0.00 N ATOM 0 H ARG A 860 9.327 13.130 -3.207 1.00 0.00 H new ATOM 0 HA ARG A 860 7.168 13.863 -1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 860 9.861 15.089 -1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 860 8.607 15.881 -0.974 1.00 0.00 H new ATOM 0 HG2 ARG A 860 8.518 13.819 0.500 1.00 0.00 H new ATOM 0 HG3 ARG A 860 9.918 13.214 -0.363 1.00 0.00 H new ATOM 0 HD2 ARG A 860 11.278 15.043 0.346 1.00 0.00 H new ATOM 0 HD3 ARG A 860 9.891 15.961 0.899 1.00 0.00 H new ATOM 0 HE ARG A 860 10.714 13.397 2.225 1.00 0.00 H new ATOM 0 HH11 ARG A 860 9.962 16.856 2.347 1.00 0.00 H new ATOM 0 HH12 ARG A 860 9.878 16.897 4.111 1.00 0.00 H new ATOM 0 HH21 ARG A 860 10.561 13.452 4.486 1.00 0.00 H new ATOM 0 HH22 ARG A 860 10.217 14.973 5.316 1.00 0.00 H new ATOM 172 N ASP A 861 6.055 15.495 -2.778 1.00 0.00 N ATOM 173 CA ASP A 861 5.233 16.419 -3.546 1.00 0.00 C ATOM 174 C ASP A 861 5.833 17.821 -3.520 1.00 0.00 C ATOM 175 O ASP A 861 6.763 18.098 -2.750 1.00 0.00 O ATOM 176 CB ASP A 861 3.807 16.422 -2.960 1.00 0.00 C ATOM 177 CG ASP A 861 2.854 17.420 -3.571 1.00 0.00 C ATOM 178 OD1 ASP A 861 2.611 17.370 -4.793 1.00 0.00 O ATOM 179 OD2 ASP A 861 2.397 18.316 -2.841 1.00 0.00 O ATOM 0 H ASP A 861 5.579 15.125 -1.955 1.00 0.00 H new ATOM 0 HA ASP A 861 5.196 16.097 -4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 861 3.384 15.424 -3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 861 3.873 16.618 -1.890 1.00 0.00 H new ATOM 184 N GLU A 862 5.273 18.690 -4.310 1.00 0.00 N ATOM 185 CA GLU A 862 5.725 20.064 -4.459 1.00 0.00 C ATOM 186 C GLU A 862 5.639 20.801 -3.135 1.00 0.00 C ATOM 187 O GLU A 862 6.485 21.633 -2.817 1.00 0.00 O ATOM 188 CB GLU A 862 4.857 20.774 -5.469 1.00 0.00 C ATOM 189 CG GLU A 862 4.769 20.062 -6.785 1.00 0.00 C ATOM 190 CD GLU A 862 3.881 20.772 -7.743 1.00 0.00 C ATOM 191 OE1 GLU A 862 2.651 20.570 -7.691 1.00 0.00 O ATOM 192 OE2 GLU A 862 4.390 21.522 -8.580 1.00 0.00 O ATOM 0 H GLU A 862 4.464 18.467 -4.890 1.00 0.00 H new ATOM 0 HA GLU A 862 6.762 20.052 -4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 862 3.854 20.888 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 862 5.250 21.777 -5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 862 5.766 19.970 -7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 862 4.396 19.050 -6.626 1.00 0.00 H new ATOM 199 N TRP A 863 4.615 20.492 -2.370 1.00 0.00 N ATOM 200 CA TRP A 863 4.423 21.107 -1.076 1.00 0.00 C ATOM 201 C TRP A 863 5.176 20.346 0.009 1.00 0.00 C ATOM 202 O TRP A 863 5.331 20.818 1.128 1.00 0.00 O ATOM 203 CB TRP A 863 2.941 21.181 -0.752 1.00 0.00 C ATOM 204 CG TRP A 863 2.180 21.996 -1.741 1.00 0.00 C ATOM 205 CD1 TRP A 863 1.323 21.549 -2.704 1.00 0.00 C ATOM 206 CD2 TRP A 863 2.241 23.409 -1.885 1.00 0.00 C ATOM 207 NE1 TRP A 863 0.829 22.617 -3.417 1.00 0.00 N ATOM 208 CE2 TRP A 863 1.382 23.768 -2.931 1.00 0.00 C ATOM 209 CE3 TRP A 863 2.937 24.404 -1.216 1.00 0.00 C ATOM 210 CZ2 TRP A 863 1.202 25.086 -3.321 1.00 0.00 C ATOM 211 CZ3 TRP A 863 2.762 25.708 -1.603 1.00 0.00 C ATOM 212 CH2 TRP A 863 1.898 26.039 -2.646 1.00 0.00 C ATOM 0 H TRP A 863 3.898 19.813 -2.625 1.00 0.00 H new ATOM 0 HA TRP A 863 4.826 22.119 -1.111 1.00 0.00 H new ATOM 0 HB2 TRP A 863 2.528 20.173 -0.723 1.00 0.00 H new ATOM 0 HB3 TRP A 863 2.811 21.608 0.242 1.00 0.00 H new ATOM 0 HD1 TRP A 863 1.071 20.514 -2.880 1.00 0.00 H new ATOM 0 HE1 TRP A 863 0.159 22.559 -4.184 1.00 0.00 H new ATOM 0 HE3 TRP A 863 3.605 24.157 -0.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 0.535 25.346 -4.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 3.302 26.491 -1.092 1.00 0.00 H new ATOM 0 HH2 TRP A 863 1.779 27.076 -2.924 1.00 0.00 H new ATOM 223 N GLY A 864 5.678 19.185 -0.352 1.00 0.00 N ATOM 224 CA GLY A 864 6.407 18.362 0.583 1.00 0.00 C ATOM 225 C GLY A 864 5.568 17.250 1.139 1.00 0.00 C ATOM 226 O GLY A 864 5.991 16.550 2.060 1.00 0.00 O ATOM 0 H GLY A 864 5.593 18.791 -1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 864 7.282 17.941 0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 864 6.772 18.982 1.401 1.00 0.00 H new ATOM 230 N ASN A 865 4.378 17.077 0.582 1.00 0.00 N ATOM 231 CA ASN A 865 3.492 15.992 1.005 1.00 0.00 C ATOM 232 C ASN A 865 4.066 14.688 0.507 1.00 0.00 C ATOM 233 O ASN A 865 4.882 14.684 -0.427 1.00 0.00 O ATOM 234 CB ASN A 865 2.056 16.146 0.451 1.00 0.00 C ATOM 235 CG ASN A 865 1.409 17.481 0.761 1.00 0.00 C ATOM 236 OD1 ASN A 865 0.870 17.691 1.858 1.00 0.00 O ATOM 237 ND2 ASN A 865 1.388 18.372 -0.208 1.00 0.00 N ATOM 0 H ASN A 865 4.002 17.668 -0.160 1.00 0.00 H new ATOM 0 HA ASN A 865 3.428 16.018 2.093 1.00 0.00 H new ATOM 0 HB2 ASN A 865 2.079 16.009 -0.630 1.00 0.00 H new ATOM 0 HB3 ASN A 865 1.434 15.350 0.860 1.00 0.00 H new ATOM 0 HD21 ASN A 865 0.919 19.267 -0.068 1.00 0.00 H new ATOM 0 HD22 ASN A 865 1.841 18.168 -1.099 1.00 0.00 H new ATOM 244 N GLN A 866 3.657 13.597 1.080 1.00 0.00 N ATOM 245 CA GLN A 866 4.183 12.340 0.657 1.00 0.00 C ATOM 246 C GLN A 866 3.374 11.731 -0.419 1.00 0.00 C ATOM 247 O GLN A 866 2.137 11.682 -0.366 1.00 0.00 O ATOM 248 CB GLN A 866 4.382 11.373 1.791 1.00 0.00 C ATOM 249 CG GLN A 866 5.469 11.782 2.747 1.00 0.00 C ATOM 250 CD GLN A 866 6.872 11.810 2.144 1.00 0.00 C ATOM 251 OE1 GLN A 866 7.072 12.046 0.961 1.00 0.00 O ATOM 252 NE2 GLN A 866 7.850 11.578 2.973 1.00 0.00 N ATOM 0 H GLN A 866 2.969 13.553 1.832 1.00 0.00 H new ATOM 0 HA GLN A 866 5.170 12.560 0.251 1.00 0.00 H new ATOM 0 HB2 GLN A 866 3.446 11.272 2.340 1.00 0.00 H new ATOM 0 HB3 GLN A 866 4.619 10.391 1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 866 5.236 12.773 3.138 1.00 0.00 H new ATOM 0 HG3 GLN A 866 5.466 11.096 3.594 1.00 0.00 H new ATOM 0 HE21 GLN A 866 7.651 11.384 3.955 1.00 0.00 H new ATOM 0 HE22 GLN A 866 8.814 11.590 2.640 1.00 0.00 H new ATOM 261 N ILE A 867 4.064 11.292 -1.382 1.00 0.00 N ATOM 262 CA ILE A 867 3.501 10.663 -2.524 1.00 0.00 C ATOM 263 C ILE A 867 3.866 9.221 -2.485 1.00 0.00 C ATOM 264 O ILE A 867 5.042 8.871 -2.434 1.00 0.00 O ATOM 265 CB ILE A 867 4.040 11.273 -3.835 1.00 0.00 C ATOM 266 CG1 ILE A 867 3.674 12.749 -3.957 1.00 0.00 C ATOM 267 CG2 ILE A 867 3.568 10.490 -5.060 1.00 0.00 C ATOM 268 CD1 ILE A 867 2.189 13.021 -4.023 1.00 0.00 C ATOM 0 H ILE A 867 5.082 11.357 -1.412 1.00 0.00 H new ATOM 0 HA ILE A 867 2.421 10.806 -2.503 1.00 0.00 H new ATOM 0 HB ILE A 867 5.127 11.200 -3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 867 4.092 13.286 -3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 867 4.145 13.155 -4.852 1.00 0.00 H new ATOM 0 HG21 ILE A 867 3.969 10.951 -5.963 1.00 0.00 H new ATOM 0 HG22 ILE A 867 3.920 9.461 -4.991 1.00 0.00 H new ATOM 0 HG23 ILE A 867 2.479 10.499 -5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 867 2.019 14.094 -4.109 1.00 0.00 H new ATOM 0 HD12 ILE A 867 1.765 12.516 -4.891 1.00 0.00 H new ATOM 0 HD13 ILE A 867 1.710 12.649 -3.117 1.00 0.00 H new ATOM 280 N TRP A 868 2.886 8.411 -2.482 1.00 0.00 N ATOM 281 CA TRP A 868 3.073 7.010 -2.497 1.00 0.00 C ATOM 282 C TRP A 868 2.856 6.469 -3.864 1.00 0.00 C ATOM 283 O TRP A 868 1.993 6.945 -4.600 1.00 0.00 O ATOM 284 CB TRP A 868 2.153 6.331 -1.507 1.00 0.00 C ATOM 285 CG TRP A 868 2.680 6.351 -0.120 1.00 0.00 C ATOM 286 CD1 TRP A 868 3.559 5.473 0.386 1.00 0.00 C ATOM 287 CD2 TRP A 868 2.379 7.276 0.934 1.00 0.00 C ATOM 288 NE1 TRP A 868 3.829 5.759 1.693 1.00 0.00 N ATOM 289 CE2 TRP A 868 3.123 6.866 2.060 1.00 0.00 C ATOM 290 CE3 TRP A 868 1.559 8.401 1.041 1.00 0.00 C ATOM 291 CZ2 TRP A 868 3.073 7.539 3.274 1.00 0.00 C ATOM 292 CZ3 TRP A 868 1.510 9.068 2.248 1.00 0.00 C ATOM 293 CH2 TRP A 868 2.264 8.636 3.349 1.00 0.00 C ATOM 0 H TRP A 868 1.909 8.703 -2.469 1.00 0.00 H new ATOM 0 HA TRP A 868 4.102 6.803 -2.202 1.00 0.00 H new ATOM 0 HB2 TRP A 868 1.180 6.822 -1.527 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.995 5.297 -1.815 1.00 0.00 H new ATOM 0 HD1 TRP A 868 3.994 4.652 -0.165 1.00 0.00 H new ATOM 0 HE1 TRP A 868 4.458 5.230 2.298 1.00 0.00 H new ATOM 0 HE3 TRP A 868 0.976 8.742 0.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 3.651 7.208 4.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 0.879 9.939 2.347 1.00 0.00 H new ATOM 0 HH2 TRP A 868 2.203 9.184 4.278 1.00 0.00 H new ATOM 304 N ILE A 869 3.671 5.548 -4.223 1.00 0.00 N ATOM 305 CA ILE A 869 3.542 4.842 -5.441 1.00 0.00 C ATOM 306 C ILE A 869 3.045 3.485 -5.102 1.00 0.00 C ATOM 307 O ILE A 869 3.635 2.798 -4.278 1.00 0.00 O ATOM 308 CB ILE A 869 4.876 4.746 -6.230 1.00 0.00 C ATOM 309 CG1 ILE A 869 5.357 6.140 -6.623 1.00 0.00 C ATOM 310 CG2 ILE A 869 4.724 3.864 -7.464 1.00 0.00 C ATOM 311 CD1 ILE A 869 6.579 6.151 -7.506 1.00 0.00 C ATOM 0 H ILE A 869 4.470 5.256 -3.660 1.00 0.00 H new ATOM 0 HA ILE A 869 2.852 5.377 -6.094 1.00 0.00 H new ATOM 0 HB ILE A 869 5.622 4.286 -5.582 1.00 0.00 H new ATOM 0 HG12 ILE A 869 4.548 6.659 -7.137 1.00 0.00 H new ATOM 0 HG13 ILE A 869 5.573 6.705 -5.717 1.00 0.00 H new ATOM 0 HG21 ILE A 869 5.674 3.816 -7.996 1.00 0.00 H new ATOM 0 HG22 ILE A 869 4.427 2.860 -7.160 1.00 0.00 H new ATOM 0 HG23 ILE A 869 3.962 4.284 -8.120 1.00 0.00 H new ATOM 0 HD11 ILE A 869 6.852 7.181 -7.737 1.00 0.00 H new ATOM 0 HD12 ILE A 869 7.406 5.664 -6.989 1.00 0.00 H new ATOM 0 HD13 ILE A 869 6.364 5.617 -8.431 1.00 0.00 H new ATOM 323 N CYS A 870 1.959 3.135 -5.698 1.00 0.00 N ATOM 324 CA CYS A 870 1.317 1.906 -5.479 1.00 0.00 C ATOM 325 C CYS A 870 2.060 0.822 -6.248 1.00 0.00 C ATOM 326 O CYS A 870 2.119 0.860 -7.465 1.00 0.00 O ATOM 327 CB CYS A 870 -0.119 2.069 -5.979 1.00 0.00 C ATOM 328 SG CYS A 870 -1.217 0.640 -5.922 1.00 0.00 S ATOM 0 H CYS A 870 1.482 3.728 -6.377 1.00 0.00 H new ATOM 0 HA CYS A 870 1.310 1.618 -4.428 1.00 0.00 H new ATOM 0 HB2 CYS A 870 -0.583 2.867 -5.400 1.00 0.00 H new ATOM 0 HB3 CYS A 870 -0.073 2.411 -7.013 1.00 0.00 H new ATOM 0 HG CYS A 870 -2.133 0.760 -6.836 1.00 0.00 H new ATOM 333 N PRO A 871 2.687 -0.129 -5.545 1.00 0.00 N ATOM 334 CA PRO A 871 3.367 -1.273 -6.165 1.00 0.00 C ATOM 335 C PRO A 871 2.420 -2.174 -6.989 1.00 0.00 C ATOM 336 O PRO A 871 2.859 -3.161 -7.582 1.00 0.00 O ATOM 337 CB PRO A 871 3.924 -2.058 -4.967 1.00 0.00 C ATOM 338 CG PRO A 871 3.998 -1.065 -3.865 1.00 0.00 C ATOM 339 CD PRO A 871 2.856 -0.118 -4.089 1.00 0.00 C ATOM 0 HA PRO A 871 4.124 -0.939 -6.874 1.00 0.00 H new ATOM 0 HB2 PRO A 871 3.274 -2.893 -4.704 1.00 0.00 H new ATOM 0 HB3 PRO A 871 4.906 -2.476 -5.190 1.00 0.00 H new ATOM 0 HG2 PRO A 871 3.917 -1.553 -2.894 1.00 0.00 H new ATOM 0 HG3 PRO A 871 4.952 -0.537 -3.878 1.00 0.00 H new ATOM 0 HD2 PRO A 871 1.953 -0.450 -3.577 1.00 0.00 H new ATOM 0 HD3 PRO A 871 3.084 0.881 -3.718 1.00 0.00 H new ATOM 347 N GLY A 872 1.137 -1.853 -7.000 1.00 0.00 N ATOM 348 CA GLY A 872 0.196 -2.607 -7.779 1.00 0.00 C ATOM 349 C GLY A 872 0.253 -2.214 -9.244 1.00 0.00 C ATOM 350 O GLY A 872 0.172 -3.079 -10.138 1.00 0.00 O ATOM 0 H GLY A 872 0.734 -1.076 -6.477 1.00 0.00 H new ATOM 0 HA2 GLY A 872 0.407 -3.672 -7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 872 -0.811 -2.443 -7.395 1.00 0.00 H new ATOM 354 N CYS A 873 0.404 -0.926 -9.496 1.00 0.00 N ATOM 355 CA CYS A 873 0.442 -0.378 -10.830 1.00 0.00 C ATOM 356 C CYS A 873 1.806 0.230 -11.148 1.00 0.00 C ATOM 357 O CYS A 873 2.195 0.344 -12.318 1.00 0.00 O ATOM 358 CB CYS A 873 -0.574 0.723 -10.832 1.00 0.00 C ATOM 359 SG CYS A 873 -0.340 1.826 -9.416 1.00 0.00 S ATOM 0 H CYS A 873 0.505 -0.224 -8.763 1.00 0.00 H new ATOM 0 HA CYS A 873 0.247 -1.156 -11.568 1.00 0.00 H new ATOM 0 HB2 CYS A 873 -0.496 1.293 -11.758 1.00 0.00 H new ATOM 0 HB3 CYS A 873 -1.577 0.297 -10.804 1.00 0.00 H new ATOM 0 HG CYS A 873 -0.782 1.249 -8.339 1.00 0.00 H new ATOM 364 N ASN A 874 2.489 0.641 -10.085 1.00 0.00 N ATOM 365 CA ASN A 874 3.750 1.386 -10.110 1.00 0.00 C ATOM 366 C ASN A 874 3.490 2.838 -10.460 1.00 0.00 C ATOM 367 O ASN A 874 4.369 3.556 -10.958 1.00 0.00 O ATOM 368 CB ASN A 874 4.861 0.754 -10.989 1.00 0.00 C ATOM 369 CG ASN A 874 5.475 -0.506 -10.380 1.00 0.00 C ATOM 370 OD1 ASN A 874 4.819 -1.273 -9.664 1.00 0.00 O ATOM 371 ND2 ASN A 874 6.731 -0.733 -10.653 1.00 0.00 N ATOM 0 H ASN A 874 2.166 0.457 -9.135 1.00 0.00 H new ATOM 0 HA ASN A 874 4.159 1.332 -9.101 1.00 0.00 H new ATOM 0 HB2 ASN A 874 4.445 0.510 -11.967 1.00 0.00 H new ATOM 0 HB3 ASN A 874 5.648 1.490 -11.152 1.00 0.00 H new ATOM 0 HD21 ASN A 874 7.194 -1.559 -10.273 1.00 0.00 H new ATOM 0 HD22 ASN A 874 7.249 -0.085 -11.246 1.00 0.00 H new ATOM 378 N LYS A 875 2.284 3.294 -10.143 1.00 0.00 N ATOM 379 CA LYS A 875 1.899 4.667 -10.354 1.00 0.00 C ATOM 380 C LYS A 875 1.802 5.408 -9.016 1.00 0.00 C ATOM 381 O LYS A 875 1.336 4.847 -8.007 1.00 0.00 O ATOM 382 CB LYS A 875 0.558 4.769 -11.073 1.00 0.00 C ATOM 383 CG LYS A 875 0.525 4.176 -12.469 1.00 0.00 C ATOM 384 CD LYS A 875 -0.874 4.292 -13.055 1.00 0.00 C ATOM 385 CE LYS A 875 -0.964 3.768 -14.490 1.00 0.00 C ATOM 386 NZ LYS A 875 -0.737 2.308 -14.583 1.00 0.00 N ATOM 0 H LYS A 875 1.552 2.715 -9.733 1.00 0.00 H new ATOM 0 HA LYS A 875 2.667 5.124 -10.977 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -0.199 4.272 -10.467 1.00 0.00 H new ATOM 0 HB3 LYS A 875 0.277 5.820 -11.136 1.00 0.00 H new ATOM 0 HG2 LYS A 875 1.240 4.694 -13.109 1.00 0.00 H new ATOM 0 HG3 LYS A 875 0.827 3.129 -12.435 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -1.572 3.739 -12.427 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -1.185 5.336 -13.035 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -1.947 4.005 -14.897 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -0.230 4.285 -15.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -0.810 2.008 -15.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 0.211 2.080 -14.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -1.453 1.809 -14.017 1.00 0.00 H new ATOM 400 N PRO A 876 2.285 6.651 -8.982 1.00 0.00 N ATOM 401 CA PRO A 876 2.202 7.516 -7.802 1.00 0.00 C ATOM 402 C PRO A 876 0.783 8.053 -7.524 1.00 0.00 C ATOM 403 O PRO A 876 -0.148 7.869 -8.319 1.00 0.00 O ATOM 404 CB PRO A 876 3.142 8.676 -8.148 1.00 0.00 C ATOM 405 CG PRO A 876 3.193 8.708 -9.632 1.00 0.00 C ATOM 406 CD PRO A 876 3.008 7.297 -10.090 1.00 0.00 C ATOM 0 HA PRO A 876 2.468 6.969 -6.898 1.00 0.00 H new ATOM 0 HB2 PRO A 876 2.769 9.618 -7.747 1.00 0.00 H new ATOM 0 HB3 PRO A 876 4.134 8.519 -7.723 1.00 0.00 H new ATOM 0 HG2 PRO A 876 2.411 9.353 -10.034 1.00 0.00 H new ATOM 0 HG3 PRO A 876 4.146 9.108 -9.980 1.00 0.00 H new ATOM 0 HD2 PRO A 876 2.438 7.251 -11.018 1.00 0.00 H new ATOM 0 HD3 PRO A 876 3.965 6.811 -10.279 1.00 0.00 H new ATOM 414 N ASP A 877 0.638 8.672 -6.371 1.00 0.00 N ATOM 415 CA ASP A 877 -0.602 9.308 -5.941 1.00 0.00 C ATOM 416 C ASP A 877 -0.984 10.480 -6.834 1.00 0.00 C ATOM 417 O ASP A 877 -0.159 11.351 -7.144 1.00 0.00 O ATOM 418 CB ASP A 877 -0.504 9.753 -4.477 1.00 0.00 C ATOM 419 CG ASP A 877 -1.643 10.662 -4.061 1.00 0.00 C ATOM 420 OD1 ASP A 877 -2.820 10.335 -4.316 1.00 0.00 O ATOM 421 OD2 ASP A 877 -1.371 11.721 -3.463 1.00 0.00 O ATOM 0 H ASP A 877 1.391 8.752 -5.688 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.393 8.563 -6.028 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -0.495 8.873 -3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 877 0.443 10.271 -4.322 1.00 0.00 H new ATOM 426 N ASP A 878 -2.236 10.499 -7.213 1.00 0.00 N ATOM 427 CA ASP A 878 -2.784 11.500 -8.112 1.00 0.00 C ATOM 428 C ASP A 878 -3.970 12.196 -7.420 1.00 0.00 C ATOM 429 O ASP A 878 -4.662 13.031 -8.001 1.00 0.00 O ATOM 430 CB ASP A 878 -3.241 10.788 -9.414 1.00 0.00 C ATOM 431 CG ASP A 878 -3.671 11.723 -10.533 1.00 0.00 C ATOM 432 OD1 ASP A 878 -2.794 12.221 -11.273 1.00 0.00 O ATOM 433 OD2 ASP A 878 -4.890 11.942 -10.721 1.00 0.00 O ATOM 0 H ASP A 878 -2.921 9.810 -6.904 1.00 0.00 H new ATOM 0 HA ASP A 878 -2.038 12.255 -8.361 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -2.425 10.162 -9.775 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -4.071 10.123 -9.176 1.00 0.00 H new ATOM 438 N GLY A 879 -4.169 11.876 -6.155 1.00 0.00 N ATOM 439 CA GLY A 879 -5.298 12.411 -5.428 1.00 0.00 C ATOM 440 C GLY A 879 -6.465 11.459 -5.491 1.00 0.00 C ATOM 441 O GLY A 879 -7.622 11.847 -5.333 1.00 0.00 O ATOM 0 H GLY A 879 -3.567 11.253 -5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -5.019 12.586 -4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -5.585 13.375 -5.848 1.00 0.00 H new ATOM 445 N SER A 880 -6.157 10.223 -5.732 1.00 0.00 N ATOM 446 CA SER A 880 -7.125 9.186 -5.864 1.00 0.00 C ATOM 447 C SER A 880 -7.293 8.436 -4.531 1.00 0.00 C ATOM 448 O SER A 880 -6.397 8.482 -3.692 1.00 0.00 O ATOM 449 CB SER A 880 -6.649 8.274 -6.988 1.00 0.00 C ATOM 450 OG SER A 880 -5.224 8.116 -6.944 1.00 0.00 O ATOM 0 H SER A 880 -5.196 9.901 -5.845 1.00 0.00 H new ATOM 0 HA SER A 880 -8.109 9.585 -6.111 1.00 0.00 H new ATOM 0 HB2 SER A 880 -7.131 7.300 -6.901 1.00 0.00 H new ATOM 0 HB3 SER A 880 -6.944 8.691 -7.951 1.00 0.00 H new ATOM 0 HG SER A 880 -4.938 7.526 -7.672 1.00 0.00 H new ATOM 456 N PRO A 881 -8.455 7.782 -4.288 1.00 0.00 N ATOM 457 CA PRO A 881 -8.677 7.020 -3.053 1.00 0.00 C ATOM 458 C PRO A 881 -7.664 5.889 -2.902 1.00 0.00 C ATOM 459 O PRO A 881 -7.560 4.978 -3.762 1.00 0.00 O ATOM 460 CB PRO A 881 -10.093 6.462 -3.202 1.00 0.00 C ATOM 461 CG PRO A 881 -10.738 7.322 -4.237 1.00 0.00 C ATOM 462 CD PRO A 881 -9.638 7.745 -5.167 1.00 0.00 C ATOM 0 HA PRO A 881 -8.560 7.641 -2.165 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -10.075 5.417 -3.512 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -10.636 6.505 -2.258 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -11.513 6.773 -4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -11.218 8.188 -3.781 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -9.509 7.039 -5.987 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -9.839 8.719 -5.614 1.00 0.00 H new ATOM 470 N MET A 882 -6.895 5.977 -1.855 1.00 0.00 N ATOM 471 CA MET A 882 -5.872 5.028 -1.570 1.00 0.00 C ATOM 472 C MET A 882 -6.226 4.263 -0.312 1.00 0.00 C ATOM 473 O MET A 882 -7.100 4.681 0.465 1.00 0.00 O ATOM 474 CB MET A 882 -4.490 5.714 -1.435 1.00 0.00 C ATOM 475 CG MET A 882 -4.085 6.525 -2.665 1.00 0.00 C ATOM 476 SD MET A 882 -2.392 7.163 -2.615 1.00 0.00 S ATOM 477 CE MET A 882 -1.445 5.666 -2.882 1.00 0.00 C ATOM 0 H MET A 882 -6.967 6.726 -1.166 1.00 0.00 H new ATOM 0 HA MET A 882 -5.803 4.328 -2.402 1.00 0.00 H new ATOM 0 HB2 MET A 882 -4.504 6.371 -0.566 1.00 0.00 H new ATOM 0 HB3 MET A 882 -3.733 4.953 -1.247 1.00 0.00 H new ATOM 0 HG2 MET A 882 -4.199 5.900 -3.551 1.00 0.00 H new ATOM 0 HG3 MET A 882 -4.773 7.363 -2.775 1.00 0.00 H new ATOM 0 HE1 MET A 882 -0.704 5.558 -2.090 1.00 0.00 H new ATOM 0 HE2 MET A 882 -2.114 4.806 -2.872 1.00 0.00 H new ATOM 0 HE3 MET A 882 -0.940 5.722 -3.847 1.00 0.00 H new ATOM 487 N ILE A 883 -5.585 3.158 -0.119 1.00 0.00 N ATOM 488 CA ILE A 883 -5.827 2.312 1.013 1.00 0.00 C ATOM 489 C ILE A 883 -4.487 1.960 1.668 1.00 0.00 C ATOM 490 O ILE A 883 -3.468 1.865 0.973 1.00 0.00 O ATOM 491 CB ILE A 883 -6.626 1.034 0.594 1.00 0.00 C ATOM 492 CG1 ILE A 883 -6.932 0.168 1.819 1.00 0.00 C ATOM 493 CG2 ILE A 883 -5.905 0.247 -0.507 1.00 0.00 C ATOM 494 CD1 ILE A 883 -7.901 -0.943 1.557 1.00 0.00 C ATOM 0 H ILE A 883 -4.865 2.808 -0.751 1.00 0.00 H new ATOM 0 HA ILE A 883 -6.443 2.840 1.741 1.00 0.00 H new ATOM 0 HB ILE A 883 -7.577 1.353 0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 883 -6.000 -0.258 2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 883 -7.330 0.804 2.610 1.00 0.00 H new ATOM 0 HG21 ILE A 883 -6.492 -0.633 -0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 883 -5.785 0.879 -1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 883 -4.924 -0.065 -0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 883 -8.063 -1.508 2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 883 -8.848 -0.526 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 883 -7.498 -1.604 0.790 1.00 0.00 H new ATOM 506 N GLY A 884 -4.478 1.836 2.980 1.00 0.00 N ATOM 507 CA GLY A 884 -3.253 1.551 3.691 1.00 0.00 C ATOM 508 C GLY A 884 -3.245 0.147 4.235 1.00 0.00 C ATOM 509 O GLY A 884 -4.310 -0.409 4.536 1.00 0.00 O ATOM 0 H GLY A 884 -5.304 1.928 3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 884 -2.403 1.688 3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 884 -3.133 2.260 4.510 1.00 0.00 H new ATOM 513 N CYS A 885 -2.067 -0.424 4.360 1.00 0.00 N ATOM 514 CA CYS A 885 -1.905 -1.780 4.838 1.00 0.00 C ATOM 515 C CYS A 885 -1.981 -1.834 6.368 1.00 0.00 C ATOM 516 O CYS A 885 -2.156 -0.808 7.046 1.00 0.00 O ATOM 517 CB CYS A 885 -0.549 -2.334 4.329 1.00 0.00 C ATOM 518 SG CYS A 885 -0.179 -4.084 4.710 1.00 0.00 S ATOM 0 H CYS A 885 -1.189 0.042 4.131 1.00 0.00 H new ATOM 0 HA CYS A 885 -2.715 -2.399 4.452 1.00 0.00 H new ATOM 0 HB2 CYS A 885 -0.515 -2.207 3.247 1.00 0.00 H new ATOM 0 HB3 CYS A 885 0.248 -1.719 4.747 1.00 0.00 H new ATOM 0 HG CYS A 885 1.020 -4.374 4.298 1.00 0.00 H new ATOM 523 N ASP A 886 -1.869 -3.016 6.886 1.00 0.00 N ATOM 524 CA ASP A 886 -1.842 -3.251 8.313 1.00 0.00 C ATOM 525 C ASP A 886 -0.438 -3.703 8.715 1.00 0.00 C ATOM 526 O ASP A 886 -0.051 -3.613 9.878 1.00 0.00 O ATOM 527 CB ASP A 886 -2.900 -4.300 8.716 1.00 0.00 C ATOM 528 CG ASP A 886 -2.956 -4.573 10.215 1.00 0.00 C ATOM 529 OD1 ASP A 886 -3.554 -3.765 10.968 1.00 0.00 O ATOM 530 OD2 ASP A 886 -2.444 -5.618 10.669 1.00 0.00 O ATOM 0 H ASP A 886 -1.792 -3.866 6.328 1.00 0.00 H new ATOM 0 HA ASP A 886 -2.085 -2.328 8.838 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -3.880 -3.961 8.381 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -2.690 -5.233 8.194 1.00 0.00 H new ATOM 535 N ASP A 887 0.340 -4.158 7.733 1.00 0.00 N ATOM 536 CA ASP A 887 1.710 -4.613 7.996 1.00 0.00 C ATOM 537 C ASP A 887 2.691 -3.486 7.716 1.00 0.00 C ATOM 538 O ASP A 887 3.572 -3.188 8.545 1.00 0.00 O ATOM 539 CB ASP A 887 2.079 -5.842 7.155 1.00 0.00 C ATOM 540 CG ASP A 887 3.422 -6.453 7.555 1.00 0.00 C ATOM 541 OD1 ASP A 887 4.487 -6.034 7.045 1.00 0.00 O ATOM 542 OD2 ASP A 887 3.428 -7.378 8.402 1.00 0.00 O ATOM 0 H ASP A 887 0.051 -4.222 6.757 1.00 0.00 H new ATOM 0 HA ASP A 887 1.765 -4.901 9.046 1.00 0.00 H new ATOM 0 HB2 ASP A 887 1.298 -6.595 7.258 1.00 0.00 H new ATOM 0 HB3 ASP A 887 2.113 -5.560 6.103 1.00 0.00 H new ATOM 547 N CYS A 888 2.529 -2.828 6.577 1.00 0.00 N ATOM 548 CA CYS A 888 3.393 -1.727 6.225 1.00 0.00 C ATOM 549 C CYS A 888 2.671 -0.417 6.489 1.00 0.00 C ATOM 550 O CYS A 888 1.529 -0.421 6.952 1.00 0.00 O ATOM 551 CB CYS A 888 3.904 -1.837 4.762 1.00 0.00 C ATOM 552 SG CYS A 888 2.630 -1.920 3.466 1.00 0.00 S ATOM 0 H CYS A 888 1.808 -3.042 5.888 1.00 0.00 H new ATOM 0 HA CYS A 888 4.284 -1.761 6.852 1.00 0.00 H new ATOM 0 HB2 CYS A 888 4.544 -0.979 4.558 1.00 0.00 H new ATOM 0 HB3 CYS A 888 4.529 -2.726 4.684 1.00 0.00 H new ATOM 0 HG CYS A 888 2.394 -3.163 3.169 1.00 0.00 H new ATOM 557 N ASP A 889 3.309 0.681 6.205 1.00 0.00 N ATOM 558 CA ASP A 889 2.729 1.994 6.483 1.00 0.00 C ATOM 559 C ASP A 889 2.544 2.757 5.171 1.00 0.00 C ATOM 560 O ASP A 889 2.342 3.965 5.138 1.00 0.00 O ATOM 561 CB ASP A 889 3.653 2.765 7.458 1.00 0.00 C ATOM 562 CG ASP A 889 3.064 4.073 7.951 1.00 0.00 C ATOM 563 OD1 ASP A 889 2.197 4.045 8.854 1.00 0.00 O ATOM 564 OD2 ASP A 889 3.460 5.161 7.454 1.00 0.00 O ATOM 0 H ASP A 889 4.235 0.709 5.779 1.00 0.00 H new ATOM 0 HA ASP A 889 1.751 1.883 6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 889 3.872 2.129 8.316 1.00 0.00 H new ATOM 0 HB3 ASP A 889 4.602 2.968 6.961 1.00 0.00 H new ATOM 569 N ASP A 890 2.571 2.039 4.084 1.00 0.00 N ATOM 570 CA ASP A 890 2.480 2.684 2.791 1.00 0.00 C ATOM 571 C ASP A 890 1.091 2.540 2.204 1.00 0.00 C ATOM 572 O ASP A 890 0.299 1.701 2.657 1.00 0.00 O ATOM 573 CB ASP A 890 3.581 2.205 1.833 1.00 0.00 C ATOM 574 CG ASP A 890 4.975 2.512 2.372 1.00 0.00 C ATOM 575 OD1 ASP A 890 5.246 3.682 2.775 1.00 0.00 O ATOM 576 OD2 ASP A 890 5.811 1.573 2.478 1.00 0.00 O ATOM 0 H ASP A 890 2.654 1.023 4.058 1.00 0.00 H new ATOM 0 HA ASP A 890 2.652 3.750 2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 890 3.482 1.131 1.673 1.00 0.00 H new ATOM 0 HB3 ASP A 890 3.453 2.685 0.863 1.00 0.00 H new ATOM 581 N TRP A 891 0.787 3.352 1.217 1.00 0.00 N ATOM 582 CA TRP A 891 -0.549 3.406 0.642 1.00 0.00 C ATOM 583 C TRP A 891 -0.573 2.878 -0.791 1.00 0.00 C ATOM 584 O TRP A 891 0.347 3.124 -1.570 1.00 0.00 O ATOM 585 CB TRP A 891 -1.097 4.849 0.670 1.00 0.00 C ATOM 586 CG TRP A 891 -1.309 5.433 2.045 1.00 0.00 C ATOM 587 CD1 TRP A 891 -0.360 5.961 2.874 1.00 0.00 C ATOM 588 CD2 TRP A 891 -2.558 5.580 2.735 1.00 0.00 C ATOM 589 NE1 TRP A 891 -0.942 6.419 4.033 1.00 0.00 N ATOM 590 CE2 TRP A 891 -2.285 6.191 3.973 1.00 0.00 C ATOM 591 CE3 TRP A 891 -3.877 5.254 2.426 1.00 0.00 C ATOM 592 CZ2 TRP A 891 -3.281 6.475 4.896 1.00 0.00 C ATOM 593 CZ3 TRP A 891 -4.866 5.537 3.345 1.00 0.00 C ATOM 594 CH2 TRP A 891 -4.561 6.145 4.566 1.00 0.00 C ATOM 0 H TRP A 891 1.453 3.994 0.787 1.00 0.00 H new ATOM 0 HA TRP A 891 -1.185 2.765 1.252 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -0.408 5.492 0.123 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -2.046 4.870 0.134 1.00 0.00 H new ATOM 0 HD1 TRP A 891 0.696 6.011 2.651 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -0.449 6.858 4.811 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -4.121 4.788 1.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -3.050 6.941 5.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -5.891 5.285 3.118 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -5.358 6.358 5.263 1.00 0.00 H new ATOM 605 N TYR A 892 -1.640 2.170 -1.117 1.00 0.00 N ATOM 606 CA TYR A 892 -1.884 1.601 -2.452 1.00 0.00 C ATOM 607 C TYR A 892 -3.187 2.173 -2.968 1.00 0.00 C ATOM 608 O TYR A 892 -3.916 2.775 -2.200 1.00 0.00 O ATOM 609 CB TYR A 892 -2.029 0.079 -2.367 1.00 0.00 C ATOM 610 CG TYR A 892 -0.779 -0.677 -1.993 1.00 0.00 C ATOM 611 CD1 TYR A 892 -0.186 -0.523 -0.746 1.00 0.00 C ATOM 612 CD2 TYR A 892 -0.215 -1.575 -2.880 1.00 0.00 C ATOM 613 CE1 TYR A 892 0.924 -1.241 -0.397 1.00 0.00 C ATOM 614 CE2 TYR A 892 0.904 -2.295 -2.543 1.00 0.00 C ATOM 615 CZ TYR A 892 1.469 -2.127 -1.302 1.00 0.00 C ATOM 616 OH TYR A 892 2.550 -2.874 -0.945 1.00 0.00 O ATOM 0 H TYR A 892 -2.385 1.964 -0.452 1.00 0.00 H new ATOM 0 HA TYR A 892 -1.049 1.844 -3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 892 -2.804 -0.153 -1.637 1.00 0.00 H new ATOM 0 HB3 TYR A 892 -2.379 -0.289 -3.332 1.00 0.00 H new ATOM 0 HD1 TYR A 892 -0.609 0.176 -0.040 1.00 0.00 H new ATOM 0 HD2 TYR A 892 -0.662 -1.712 -3.854 1.00 0.00 H new ATOM 0 HE1 TYR A 892 1.370 -1.115 0.579 1.00 0.00 H new ATOM 0 HE2 TYR A 892 1.337 -2.989 -3.248 1.00 0.00 H new ATOM 0 HH TYR A 892 2.291 -3.512 -0.248 1.00 0.00 H new ATOM 626 N HIS A 893 -3.507 1.976 -4.222 1.00 0.00 N ATOM 627 CA HIS A 893 -4.764 2.524 -4.757 1.00 0.00 C ATOM 628 C HIS A 893 -5.874 1.486 -4.734 1.00 0.00 C ATOM 629 O HIS A 893 -5.618 0.292 -4.850 1.00 0.00 O ATOM 630 CB HIS A 893 -4.614 3.057 -6.186 1.00 0.00 C ATOM 631 CG HIS A 893 -3.595 4.130 -6.363 1.00 0.00 C ATOM 632 ND1 HIS A 893 -2.385 3.858 -6.944 1.00 0.00 N ATOM 633 CD2 HIS A 893 -3.656 5.445 -6.051 1.00 0.00 C ATOM 634 CE1 HIS A 893 -1.726 5.024 -6.970 1.00 0.00 C ATOM 635 NE2 HIS A 893 -2.460 5.998 -6.441 1.00 0.00 N ATOM 0 H HIS A 893 -2.941 1.455 -4.892 1.00 0.00 H new ATOM 0 HA HIS A 893 -5.025 3.357 -4.105 1.00 0.00 H new ATOM 0 HB2 HIS A 893 -4.358 2.224 -6.841 1.00 0.00 H new ATOM 0 HB3 HIS A 893 -5.580 3.438 -6.517 1.00 0.00 H new ATOM 0 HD1 HIS A 893 -2.054 2.956 -7.286 1.00 0.00 H new ATOM 0 HD2 HIS A 893 -4.484 5.960 -5.586 1.00 0.00 H new ATOM 0 HE1 HIS A 893 -0.731 5.155 -7.368 1.00 0.00 H new ATOM 643 N TRP A 894 -7.106 1.957 -4.595 1.00 0.00 N ATOM 644 CA TRP A 894 -8.297 1.087 -4.577 1.00 0.00 C ATOM 645 C TRP A 894 -8.445 0.180 -5.825 1.00 0.00 C ATOM 646 O TRP A 894 -8.570 -1.038 -5.672 1.00 0.00 O ATOM 647 CB TRP A 894 -9.587 1.891 -4.334 1.00 0.00 C ATOM 648 CG TRP A 894 -9.748 2.405 -2.934 1.00 0.00 C ATOM 649 CD1 TRP A 894 -8.836 2.351 -1.926 1.00 0.00 C ATOM 650 CD2 TRP A 894 -10.911 3.025 -2.382 1.00 0.00 C ATOM 651 NE1 TRP A 894 -9.347 2.927 -0.798 1.00 0.00 N ATOM 652 CE2 TRP A 894 -10.619 3.347 -1.049 1.00 0.00 C ATOM 653 CE3 TRP A 894 -12.166 3.348 -2.892 1.00 0.00 C ATOM 654 CZ2 TRP A 894 -11.533 3.976 -0.222 1.00 0.00 C ATOM 655 CZ3 TRP A 894 -13.076 3.970 -2.071 1.00 0.00 C ATOM 656 CH2 TRP A 894 -12.755 4.279 -0.752 1.00 0.00 C ATOM 0 H TRP A 894 -7.318 2.949 -4.491 1.00 0.00 H new ATOM 0 HA TRP A 894 -8.136 0.414 -3.735 1.00 0.00 H new ATOM 0 HB2 TRP A 894 -9.608 2.736 -5.022 1.00 0.00 H new ATOM 0 HB3 TRP A 894 -10.443 1.261 -4.577 1.00 0.00 H new ATOM 0 HD1 TRP A 894 -7.851 1.916 -2.006 1.00 0.00 H new ATOM 0 HE1 TRP A 894 -8.855 3.027 0.090 1.00 0.00 H new ATOM 0 HE3 TRP A 894 -12.420 3.114 -3.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 -11.290 4.218 0.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 -14.054 4.223 -2.454 1.00 0.00 H new ATOM 0 HH2 TRP A 894 -13.490 4.771 -0.132 1.00 0.00 H new ATOM 667 N PRO A 895 -8.428 0.732 -7.076 1.00 0.00 N ATOM 668 CA PRO A 895 -8.597 -0.086 -8.303 1.00 0.00 C ATOM 669 C PRO A 895 -7.479 -1.113 -8.521 1.00 0.00 C ATOM 670 O PRO A 895 -7.658 -2.099 -9.247 1.00 0.00 O ATOM 671 CB PRO A 895 -8.577 0.954 -9.434 1.00 0.00 C ATOM 672 CG PRO A 895 -7.882 2.133 -8.850 1.00 0.00 C ATOM 673 CD PRO A 895 -8.294 2.166 -7.418 1.00 0.00 C ATOM 0 HA PRO A 895 -9.509 -0.681 -8.248 1.00 0.00 H new ATOM 0 HB2 PRO A 895 -8.049 0.577 -10.310 1.00 0.00 H new ATOM 0 HB3 PRO A 895 -9.587 1.209 -9.756 1.00 0.00 H new ATOM 0 HG2 PRO A 895 -6.800 2.039 -8.946 1.00 0.00 H new ATOM 0 HG3 PRO A 895 -8.168 3.051 -9.362 1.00 0.00 H new ATOM 0 HD2 PRO A 895 -7.549 2.661 -6.795 1.00 0.00 H new ATOM 0 HD3 PRO A 895 -9.233 2.703 -7.280 1.00 0.00 H new ATOM 681 N CYS A 896 -6.361 -0.901 -7.874 1.00 0.00 N ATOM 682 CA CYS A 896 -5.206 -1.736 -8.048 1.00 0.00 C ATOM 683 C CYS A 896 -5.307 -3.011 -7.234 1.00 0.00 C ATOM 684 O CYS A 896 -4.795 -4.060 -7.622 1.00 0.00 O ATOM 685 CB CYS A 896 -4.021 -0.923 -7.603 1.00 0.00 C ATOM 686 SG CYS A 896 -3.957 0.687 -8.435 1.00 0.00 S ATOM 0 H CYS A 896 -6.229 -0.139 -7.209 1.00 0.00 H new ATOM 0 HA CYS A 896 -5.115 -2.043 -9.090 1.00 0.00 H new ATOM 0 HB2 CYS A 896 -4.068 -0.773 -6.524 1.00 0.00 H new ATOM 0 HB3 CYS A 896 -3.104 -1.475 -7.809 1.00 0.00 H new ATOM 0 HG CYS A 896 -2.723 0.980 -8.718 1.00 0.00 H new ATOM 691 N VAL A 897 -5.966 -2.916 -6.123 1.00 0.00 N ATOM 692 CA VAL A 897 -6.076 -4.035 -5.224 1.00 0.00 C ATOM 693 C VAL A 897 -7.488 -4.617 -5.212 1.00 0.00 C ATOM 694 O VAL A 897 -7.688 -5.789 -4.867 1.00 0.00 O ATOM 695 CB VAL A 897 -5.620 -3.639 -3.807 1.00 0.00 C ATOM 696 CG1 VAL A 897 -4.126 -3.339 -3.817 1.00 0.00 C ATOM 697 CG2 VAL A 897 -6.370 -2.408 -3.363 1.00 0.00 C ATOM 0 H VAL A 897 -6.442 -2.070 -5.809 1.00 0.00 H new ATOM 0 HA VAL A 897 -5.413 -4.820 -5.588 1.00 0.00 H new ATOM 0 HB VAL A 897 -5.823 -4.460 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 897 -3.804 -3.059 -2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 897 -3.579 -4.225 -4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 897 -3.924 -2.518 -4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 897 -6.048 -2.127 -2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 897 -6.165 -1.589 -4.052 1.00 0.00 H new ATOM 0 HG23 VAL A 897 -7.440 -2.617 -3.355 1.00 0.00 H new ATOM 707 N GLY A 898 -8.454 -3.814 -5.598 1.00 0.00 N ATOM 708 CA GLY A 898 -9.810 -4.282 -5.669 1.00 0.00 C ATOM 709 C GLY A 898 -10.645 -3.778 -4.524 1.00 0.00 C ATOM 710 O GLY A 898 -11.217 -4.562 -3.764 1.00 0.00 O ATOM 0 H GLY A 898 -8.322 -2.839 -5.866 1.00 0.00 H new ATOM 0 HA2 GLY A 898 -10.255 -3.960 -6.610 1.00 0.00 H new ATOM 0 HA3 GLY A 898 -9.817 -5.372 -5.670 1.00 0.00 H new ATOM 714 N ILE A 899 -10.673 -2.480 -4.357 1.00 0.00 N ATOM 715 CA ILE A 899 -11.493 -1.869 -3.335 1.00 0.00 C ATOM 716 C ILE A 899 -12.577 -1.076 -4.020 1.00 0.00 C ATOM 717 O ILE A 899 -12.287 -0.153 -4.781 1.00 0.00 O ATOM 718 CB ILE A 899 -10.683 -0.909 -2.430 1.00 0.00 C ATOM 719 CG1 ILE A 899 -9.490 -1.613 -1.794 1.00 0.00 C ATOM 720 CG2 ILE A 899 -11.574 -0.303 -1.352 1.00 0.00 C ATOM 721 CD1 ILE A 899 -9.840 -2.676 -0.788 1.00 0.00 C ATOM 0 H ILE A 899 -10.135 -1.820 -4.918 1.00 0.00 H new ATOM 0 HA ILE A 899 -11.899 -2.660 -2.705 1.00 0.00 H new ATOM 0 HB ILE A 899 -10.302 -0.107 -3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 899 -8.891 -2.065 -2.584 1.00 0.00 H new ATOM 0 HG13 ILE A 899 -8.864 -0.866 -1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 899 -10.984 0.368 -0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 899 -12.384 0.256 -1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 899 -11.992 -1.099 -0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 899 -8.925 -3.118 -0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 899 -10.410 -2.231 0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 899 -10.438 -3.450 -1.269 1.00 0.00 H new ATOM 733 N MET A 900 -13.799 -1.452 -3.794 1.00 0.00 N ATOM 734 CA MET A 900 -14.925 -0.757 -4.377 1.00 0.00 C ATOM 735 C MET A 900 -15.334 0.380 -3.471 1.00 0.00 C ATOM 736 O MET A 900 -15.623 1.486 -3.932 1.00 0.00 O ATOM 737 CB MET A 900 -16.121 -1.697 -4.572 1.00 0.00 C ATOM 738 CG MET A 900 -15.843 -2.909 -5.447 1.00 0.00 C ATOM 739 SD MET A 900 -17.280 -3.999 -5.610 1.00 0.00 S ATOM 740 CE MET A 900 -18.422 -2.945 -6.506 1.00 0.00 C ATOM 0 H MET A 900 -14.052 -2.245 -3.204 1.00 0.00 H new ATOM 0 HA MET A 900 -14.622 -0.377 -5.353 1.00 0.00 H new ATOM 0 HB2 MET A 900 -16.457 -2.042 -3.594 1.00 0.00 H new ATOM 0 HB3 MET A 900 -16.943 -1.131 -5.010 1.00 0.00 H new ATOM 0 HG2 MET A 900 -15.533 -2.574 -6.437 1.00 0.00 H new ATOM 0 HG3 MET A 900 -15.011 -3.473 -5.026 1.00 0.00 H new ATOM 0 HE1 MET A 900 -19.225 -3.552 -6.925 1.00 0.00 H new ATOM 0 HE2 MET A 900 -18.844 -2.205 -5.826 1.00 0.00 H new ATOM 0 HE3 MET A 900 -17.892 -2.437 -7.312 1.00 0.00 H new ATOM 750 N ALA A 901 -15.309 0.116 -2.179 1.00 0.00 N ATOM 751 CA ALA A 901 -15.749 1.059 -1.186 1.00 0.00 C ATOM 752 C ALA A 901 -14.878 0.912 0.014 1.00 0.00 C ATOM 753 O ALA A 901 -14.326 -0.176 0.225 1.00 0.00 O ATOM 754 CB ALA A 901 -17.194 0.788 -0.811 1.00 0.00 C ATOM 0 H ALA A 901 -14.979 -0.768 -1.792 1.00 0.00 H new ATOM 0 HA ALA A 901 -15.682 2.073 -1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 901 -17.516 1.508 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 901 -17.823 0.882 -1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 901 -17.282 -0.221 -0.409 1.00 0.00 H new ATOM 760 N ALA A 902 -14.769 1.976 0.790 1.00 0.00 N ATOM 761 CA ALA A 902 -13.909 2.039 1.967 1.00 0.00 C ATOM 762 C ALA A 902 -14.187 0.905 2.954 1.00 0.00 C ATOM 763 O ALA A 902 -15.252 0.864 3.575 1.00 0.00 O ATOM 764 CB ALA A 902 -14.060 3.385 2.663 1.00 0.00 C ATOM 0 H ALA A 902 -15.285 2.839 0.619 1.00 0.00 H new ATOM 0 HA ALA A 902 -12.883 1.922 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -13.412 3.416 3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -13.780 4.183 1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -15.096 3.520 2.973 1.00 0.00 H new ATOM 770 N PRO A 903 -13.248 -0.048 3.081 1.00 0.00 N ATOM 771 CA PRO A 903 -13.378 -1.155 4.018 1.00 0.00 C ATOM 772 C PRO A 903 -13.343 -0.660 5.459 1.00 0.00 C ATOM 773 O PRO A 903 -12.747 0.403 5.734 1.00 0.00 O ATOM 774 CB PRO A 903 -12.153 -2.035 3.726 1.00 0.00 C ATOM 775 CG PRO A 903 -11.188 -1.145 3.030 1.00 0.00 C ATOM 776 CD PRO A 903 -12.006 -0.131 2.295 1.00 0.00 C ATOM 0 HA PRO A 903 -14.322 -1.687 3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -11.727 -2.434 4.647 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -12.421 -2.888 3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -10.520 -0.662 3.743 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -10.562 -1.713 2.341 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -11.499 0.832 2.245 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -12.202 -0.442 1.269 1.00 0.00 H new ATOM 845 N GLN A 908 -8.405 -5.563 8.840 1.00 0.00 N ATOM 846 CA GLN A 908 -7.025 -5.623 8.488 1.00 0.00 C ATOM 847 C GLN A 908 -6.950 -5.950 7.037 1.00 0.00 C ATOM 848 O GLN A 908 -7.562 -6.919 6.563 1.00 0.00 O ATOM 849 CB GLN A 908 -6.276 -6.680 9.261 1.00 0.00 C ATOM 850 CG GLN A 908 -6.243 -6.472 10.758 1.00 0.00 C ATOM 851 CD GLN A 908 -5.514 -7.590 11.470 1.00 0.00 C ATOM 852 OE1 GLN A 908 -6.118 -8.580 11.878 1.00 0.00 O ATOM 853 NE2 GLN A 908 -4.228 -7.467 11.604 1.00 0.00 N ATOM 0 HA GLN A 908 -6.565 -4.663 8.723 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -6.729 -7.650 9.054 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -5.251 -6.721 8.892 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -5.757 -5.522 10.981 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -7.263 -6.405 11.137 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -3.756 -6.633 11.255 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -3.690 -8.205 12.059 1.00 0.00 H new ATOM 862 N TRP A 909 -6.241 -5.178 6.359 1.00 0.00 N ATOM 863 CA TRP A 909 -6.097 -5.317 4.962 1.00 0.00 C ATOM 864 C TRP A 909 -4.638 -5.392 4.659 1.00 0.00 C ATOM 865 O TRP A 909 -3.839 -4.683 5.275 1.00 0.00 O ATOM 866 CB TRP A 909 -6.764 -4.137 4.245 1.00 0.00 C ATOM 867 CG TRP A 909 -6.601 -4.156 2.758 1.00 0.00 C ATOM 868 CD1 TRP A 909 -7.402 -4.775 1.844 1.00 0.00 C ATOM 869 CD2 TRP A 909 -5.563 -3.516 2.020 1.00 0.00 C ATOM 870 NE1 TRP A 909 -6.913 -4.551 0.577 1.00 0.00 N ATOM 871 CE2 TRP A 909 -5.783 -3.779 0.670 1.00 0.00 C ATOM 872 CE3 TRP A 909 -4.470 -2.742 2.384 1.00 0.00 C ATOM 873 CZ2 TRP A 909 -4.945 -3.295 -0.314 1.00 0.00 C ATOM 874 CZ3 TRP A 909 -3.633 -2.261 1.407 1.00 0.00 C ATOM 875 CH2 TRP A 909 -3.877 -2.536 0.069 1.00 0.00 C ATOM 0 H TRP A 909 -5.718 -4.398 6.756 1.00 0.00 H new ATOM 0 HA TRP A 909 -6.586 -6.224 4.608 1.00 0.00 H new ATOM 0 HB2 TRP A 909 -7.828 -4.135 4.483 1.00 0.00 H new ATOM 0 HB3 TRP A 909 -6.348 -3.207 4.634 1.00 0.00 H new ATOM 0 HD1 TRP A 909 -8.284 -5.352 2.078 1.00 0.00 H new ATOM 0 HE1 TRP A 909 -7.323 -4.901 -0.289 1.00 0.00 H new ATOM 0 HE3 TRP A 909 -4.280 -2.520 3.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 -5.129 -3.510 -1.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 -2.777 -1.663 1.683 1.00 0.00 H new ATOM 0 HH2 TRP A 909 -3.210 -2.142 -0.683 1.00 0.00 H new ATOM 886 N PHE A 910 -4.284 -6.258 3.762 1.00 0.00 N ATOM 887 CA PHE A 910 -2.920 -6.430 3.395 1.00 0.00 C ATOM 888 C PHE A 910 -2.797 -6.272 1.918 1.00 0.00 C ATOM 889 O PHE A 910 -3.654 -6.746 1.150 1.00 0.00 O ATOM 890 CB PHE A 910 -2.398 -7.792 3.864 1.00 0.00 C ATOM 891 CG PHE A 910 -2.542 -7.969 5.348 1.00 0.00 C ATOM 892 CD1 PHE A 910 -1.665 -7.347 6.219 1.00 0.00 C ATOM 893 CD2 PHE A 910 -3.582 -8.719 5.873 1.00 0.00 C ATOM 894 CE1 PHE A 910 -1.819 -7.478 7.581 1.00 0.00 C ATOM 895 CE2 PHE A 910 -3.746 -8.846 7.235 1.00 0.00 C ATOM 896 CZ PHE A 910 -2.864 -8.227 8.090 1.00 0.00 C ATOM 0 H PHE A 910 -4.936 -6.865 3.265 1.00 0.00 H new ATOM 0 HA PHE A 910 -2.307 -5.672 3.884 1.00 0.00 H new ATOM 0 HB2 PHE A 910 -2.941 -8.585 3.350 1.00 0.00 H new ATOM 0 HB3 PHE A 910 -1.349 -7.893 3.587 1.00 0.00 H new ATOM 0 HD1 PHE A 910 -0.852 -6.753 5.827 1.00 0.00 H new ATOM 0 HD2 PHE A 910 -4.274 -9.211 5.205 1.00 0.00 H new ATOM 0 HE1 PHE A 910 -1.124 -6.996 8.252 1.00 0.00 H new ATOM 0 HE2 PHE A 910 -4.564 -9.430 7.630 1.00 0.00 H new ATOM 0 HZ PHE A 910 -2.988 -8.326 9.158 1.00 0.00 H new ATOM 906 N CYS A 911 -1.793 -5.585 1.519 1.00 0.00 N ATOM 907 CA CYS A 911 -1.547 -5.309 0.155 1.00 0.00 C ATOM 908 C CYS A 911 -0.956 -6.531 -0.534 1.00 0.00 C ATOM 909 O CYS A 911 -0.544 -7.474 0.145 1.00 0.00 O ATOM 910 CB CYS A 911 -0.578 -4.160 0.124 1.00 0.00 C ATOM 911 SG CYS A 911 0.937 -4.432 1.078 1.00 0.00 S ATOM 0 H CYS A 911 -1.099 -5.187 2.152 1.00 0.00 H new ATOM 0 HA CYS A 911 -2.467 -5.058 -0.372 1.00 0.00 H new ATOM 0 HB2 CYS A 911 -0.308 -3.956 -0.912 1.00 0.00 H new ATOM 0 HB3 CYS A 911 -1.077 -3.269 0.505 1.00 0.00 H new ATOM 0 HG CYS A 911 0.678 -4.313 2.346 1.00 0.00 H new ATOM 916 N PRO A 912 -0.913 -6.546 -1.888 1.00 0.00 N ATOM 917 CA PRO A 912 -0.295 -7.626 -2.659 1.00 0.00 C ATOM 918 C PRO A 912 1.118 -7.979 -2.151 1.00 0.00 C ATOM 919 O PRO A 912 1.522 -9.127 -2.185 1.00 0.00 O ATOM 920 CB PRO A 912 -0.225 -7.050 -4.104 1.00 0.00 C ATOM 921 CG PRO A 912 -0.637 -5.608 -3.979 1.00 0.00 C ATOM 922 CD PRO A 912 -1.520 -5.551 -2.780 1.00 0.00 C ATOM 0 HA PRO A 912 -0.863 -8.553 -2.583 1.00 0.00 H new ATOM 0 HB2 PRO A 912 0.781 -7.137 -4.513 1.00 0.00 H new ATOM 0 HB3 PRO A 912 -0.890 -7.592 -4.776 1.00 0.00 H new ATOM 0 HG2 PRO A 912 0.231 -4.960 -3.858 1.00 0.00 H new ATOM 0 HG3 PRO A 912 -1.164 -5.271 -4.872 1.00 0.00 H new ATOM 0 HD2 PRO A 912 -1.531 -4.558 -2.331 1.00 0.00 H new ATOM 0 HD3 PRO A 912 -2.552 -5.802 -3.024 1.00 0.00 H new ATOM 930 N LYS A 913 1.831 -6.989 -1.617 1.00 0.00 N ATOM 931 CA LYS A 913 3.185 -7.209 -1.158 1.00 0.00 C ATOM 932 C LYS A 913 3.231 -7.841 0.226 1.00 0.00 C ATOM 933 O LYS A 913 4.002 -8.775 0.449 1.00 0.00 O ATOM 934 CB LYS A 913 4.037 -5.942 -1.240 1.00 0.00 C ATOM 935 CG LYS A 913 4.196 -5.328 -2.656 1.00 0.00 C ATOM 936 CD LYS A 913 5.109 -6.128 -3.640 1.00 0.00 C ATOM 937 CE LYS A 913 4.532 -7.481 -4.089 1.00 0.00 C ATOM 938 NZ LYS A 913 5.321 -8.110 -5.165 1.00 0.00 N ATOM 0 H LYS A 913 1.489 -6.036 -1.496 1.00 0.00 H new ATOM 0 HA LYS A 913 3.629 -7.930 -1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 913 3.599 -5.189 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 913 5.029 -6.167 -0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 913 3.207 -5.231 -3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 913 4.599 -4.321 -2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 913 5.294 -5.516 -4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 913 6.074 -6.299 -3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 913 4.491 -8.155 -3.233 1.00 0.00 H new ATOM 0 HE3 LYS A 913 3.507 -7.338 -4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 4.887 -9.018 -5.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 5.340 -7.482 -5.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 6.293 -8.274 -4.833 1.00 0.00 H new ATOM 952 N CYS A 914 2.402 -7.379 1.142 1.00 0.00 N ATOM 953 CA CYS A 914 2.370 -7.981 2.454 1.00 0.00 C ATOM 954 C CYS A 914 1.588 -9.292 2.465 1.00 0.00 C ATOM 955 O CYS A 914 1.786 -10.143 3.337 1.00 0.00 O ATOM 956 CB CYS A 914 1.910 -6.996 3.513 1.00 0.00 C ATOM 957 SG CYS A 914 3.089 -5.639 3.765 1.00 0.00 S ATOM 0 H CYS A 914 1.754 -6.603 1.004 1.00 0.00 H new ATOM 0 HA CYS A 914 3.394 -8.248 2.717 1.00 0.00 H new ATOM 0 HB2 CYS A 914 0.943 -6.583 3.224 1.00 0.00 H new ATOM 0 HB3 CYS A 914 1.763 -7.524 4.455 1.00 0.00 H new ATOM 0 HG CYS A 914 3.243 -4.986 2.652 1.00 0.00 H new ATOM 962 N ALA A 915 0.746 -9.479 1.477 1.00 0.00 N ATOM 963 CA ALA A 915 0.066 -10.743 1.311 1.00 0.00 C ATOM 964 C ALA A 915 1.069 -11.801 0.867 1.00 0.00 C ATOM 965 O ALA A 915 0.865 -12.988 1.088 1.00 0.00 O ATOM 966 CB ALA A 915 -1.085 -10.635 0.329 1.00 0.00 C ATOM 0 H ALA A 915 0.515 -8.774 0.777 1.00 0.00 H new ATOM 0 HA ALA A 915 -0.364 -11.036 2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 915 -1.572 -11.605 0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 915 -1.806 -9.903 0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 915 -0.706 -10.319 -0.643 1.00 0.00 H new ATOM 972 N ASN A 916 2.176 -11.355 0.263 1.00 0.00 N ATOM 973 CA ASN A 916 3.272 -12.255 -0.125 1.00 0.00 C ATOM 974 C ASN A 916 4.141 -12.589 1.080 1.00 0.00 C ATOM 975 O ASN A 916 5.004 -13.457 1.014 1.00 0.00 O ATOM 976 CB ASN A 916 4.155 -11.674 -1.251 1.00 0.00 C ATOM 977 CG ASN A 916 3.488 -11.582 -2.622 1.00 0.00 C ATOM 978 OD1 ASN A 916 3.806 -10.690 -3.410 1.00 0.00 O ATOM 979 ND2 ASN A 916 2.595 -12.499 -2.938 1.00 0.00 N ATOM 0 H ASN A 916 2.338 -10.375 0.031 1.00 0.00 H new ATOM 0 HA ASN A 916 2.804 -13.161 -0.509 1.00 0.00 H new ATOM 0 HB2 ASN A 916 4.481 -10.677 -0.956 1.00 0.00 H new ATOM 0 HB3 ASN A 916 5.051 -12.289 -1.342 1.00 0.00 H new ATOM 0 HD21 ASN A 916 2.148 -12.481 -3.855 1.00 0.00 H new ATOM 0 HD22 ASN A 916 2.351 -13.226 -2.266 1.00 0.00 H new ATOM 986 N LYS A 917 3.929 -11.879 2.168 1.00 0.00 N ATOM 987 CA LYS A 917 4.625 -12.159 3.413 1.00 0.00 C ATOM 988 C LYS A 917 3.828 -13.205 4.168 1.00 0.00 C ATOM 989 O LYS A 917 4.311 -14.302 4.437 1.00 0.00 O ATOM 990 CB LYS A 917 4.726 -10.896 4.283 1.00 0.00 C ATOM 991 CG LYS A 917 5.502 -9.738 3.680 1.00 0.00 C ATOM 992 CD LYS A 917 5.343 -8.492 4.544 1.00 0.00 C ATOM 993 CE LYS A 917 6.098 -7.303 3.980 1.00 0.00 C ATOM 994 NZ LYS A 917 5.752 -6.052 4.687 1.00 0.00 N ATOM 0 H LYS A 917 3.276 -11.097 2.218 1.00 0.00 H new ATOM 0 HA LYS A 917 5.633 -12.508 3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 917 3.717 -10.553 4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 917 5.192 -11.167 5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 917 6.557 -10.001 3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 917 5.144 -9.537 2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 917 4.285 -8.242 4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 917 5.701 -8.703 5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 917 7.170 -7.482 4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 917 5.870 -7.197 2.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 6.435 -5.310 4.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 4.795 -5.751 4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 5.783 -6.214 5.714 1.00 0.00 H new ATOM 1008 N ILE A 918 2.575 -12.863 4.430 1.00 0.00 N ATOM 1009 CA ILE A 918 1.662 -13.700 5.199 1.00 0.00 C ATOM 1010 C ILE A 918 1.349 -14.988 4.459 1.00 0.00 C ATOM 1011 O ILE A 918 1.600 -16.087 4.974 1.00 0.00 O ATOM 1012 CB ILE A 918 0.347 -12.938 5.504 1.00 0.00 C ATOM 1013 CG1 ILE A 918 0.668 -11.664 6.290 1.00 0.00 C ATOM 1014 CG2 ILE A 918 -0.632 -13.824 6.287 1.00 0.00 C ATOM 1015 CD1 ILE A 918 -0.534 -10.812 6.599 1.00 0.00 C ATOM 0 H ILE A 918 2.158 -11.988 4.112 1.00 0.00 H new ATOM 0 HA ILE A 918 2.154 -13.950 6.139 1.00 0.00 H new ATOM 0 HB ILE A 918 -0.132 -12.669 4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 918 1.154 -11.940 7.226 1.00 0.00 H new ATOM 0 HG13 ILE A 918 1.384 -11.070 5.722 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -1.546 -13.266 6.488 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -0.870 -14.711 5.699 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -0.176 -14.125 7.230 1.00 0.00 H new ATOM 0 HD11 ILE A 918 -0.221 -9.930 7.157 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -1.010 -10.503 5.668 1.00 0.00 H new ATOM 0 HD13 ILE A 918 -1.243 -11.386 7.196 1.00 0.00 H new