USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 870 CYS SG : rot -158:sc= 0.458 USER MOD Set 1.2: A 873 CYS SG : rot -73:sc= 0.382 USER MOD Set 1.3: A 882 MET CE :methyl -132:sc= -0.0996 (180deg=-1.31) USER MOD Set 1.4: A 893 HIS : no HE2:sc= -1.24 K(o=-3.5,f=-7.6!) USER MOD Set 1.5: A 896 CYS SG : rot -148:sc= -3! USER MOD Set 2.1: A 885 CYS SG : rot -160:sc= 0.486 USER MOD Set 2.2: A 888 CYS SG : rot 180:sc= 0.00499 USER MOD Set 2.3: A 892 TYR OH : rot 51:sc= 0.727 USER MOD Set 2.4: A 911 CYS SG : rot -74:sc= 1.1 USER MOD Set 2.5: A 914 CYS SG : rot 122:sc= -1.14 USER MOD Set 2.6: A 917 LYS NZ :NH3+ -161:sc= 1.22 (180deg=1.14) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN :FLIP amide:sc= -1.85! C(o=-2.7!,f=-1.8!) USER MOD Single : A 866 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 874 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 880 SER OG : rot -2:sc= 0.692 USER MOD Single : A 900 MET CE :methyl 157:sc= -0.143 (180deg=-0.683) USER MOD Single : A 908 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 913 LYS NZ :NH3+ -150:sc= 1.3 (180deg=0.122) USER MOD Single : A 916 ASN :FLIP amide:sc=-0.00424 F(o=-0.86,f=-0.0042) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 857 8.895 5.879 -2.739 1.00 0.00 N ATOM 93 CA TYR A 857 7.483 5.740 -3.073 1.00 0.00 C ATOM 94 C TYR A 857 6.668 6.853 -2.472 1.00 0.00 C ATOM 95 O TYR A 857 5.478 6.974 -2.718 1.00 0.00 O ATOM 96 CB TYR A 857 6.961 4.357 -2.677 1.00 0.00 C ATOM 97 CG TYR A 857 7.799 3.259 -3.281 1.00 0.00 C ATOM 98 CD1 TYR A 857 7.654 2.897 -4.609 1.00 0.00 C ATOM 99 CD2 TYR A 857 8.779 2.629 -2.536 1.00 0.00 C ATOM 100 CE1 TYR A 857 8.455 1.928 -5.174 1.00 0.00 C ATOM 101 CE2 TYR A 857 9.586 1.672 -3.089 1.00 0.00 C ATOM 102 CZ TYR A 857 9.422 1.320 -4.410 1.00 0.00 C ATOM 103 OH TYR A 857 10.240 0.374 -4.973 1.00 0.00 O ATOM 0 HA TYR A 857 7.378 5.824 -4.155 1.00 0.00 H new ATOM 0 HB2 TYR A 857 6.963 4.263 -1.591 1.00 0.00 H new ATOM 0 HB3 TYR A 857 5.927 4.249 -3.004 1.00 0.00 H new ATOM 0 HD1 TYR A 857 6.901 3.382 -5.212 1.00 0.00 H new ATOM 0 HD2 TYR A 857 8.910 2.897 -1.498 1.00 0.00 H new ATOM 0 HE1 TYR A 857 8.324 1.649 -6.209 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.349 1.195 -2.492 1.00 0.00 H new ATOM 0 HH TYR A 857 10.870 0.043 -4.299 1.00 0.00 H new ATOM 113 N VAL A 858 7.319 7.648 -1.690 1.00 0.00 N ATOM 114 CA VAL A 858 6.724 8.826 -1.130 1.00 0.00 C ATOM 115 C VAL A 858 7.390 10.015 -1.776 1.00 0.00 C ATOM 116 O VAL A 858 8.570 10.297 -1.525 1.00 0.00 O ATOM 117 CB VAL A 858 6.891 8.916 0.406 1.00 0.00 C ATOM 118 CG1 VAL A 858 6.221 10.175 0.944 1.00 0.00 C ATOM 119 CG2 VAL A 858 6.316 7.691 1.085 1.00 0.00 C ATOM 0 H VAL A 858 8.290 7.501 -1.416 1.00 0.00 H new ATOM 0 HA VAL A 858 5.652 8.798 -1.323 1.00 0.00 H new ATOM 0 HB VAL A 858 7.958 8.963 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 858 6.349 10.221 2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 858 6.677 11.053 0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 858 5.158 10.152 0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 858 6.446 7.778 2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 858 5.254 7.611 0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 858 6.834 6.801 0.728 1.00 0.00 H new ATOM 129 N ILE A 859 6.680 10.662 -2.643 1.00 0.00 N ATOM 130 CA ILE A 859 7.204 11.797 -3.335 1.00 0.00 C ATOM 131 C ILE A 859 6.526 13.036 -2.812 1.00 0.00 C ATOM 132 O ILE A 859 5.303 13.062 -2.651 1.00 0.00 O ATOM 133 CB ILE A 859 6.952 11.722 -4.874 1.00 0.00 C ATOM 134 CG1 ILE A 859 7.381 10.358 -5.441 1.00 0.00 C ATOM 135 CG2 ILE A 859 7.702 12.856 -5.591 1.00 0.00 C ATOM 136 CD1 ILE A 859 7.103 10.189 -6.922 1.00 0.00 C ATOM 0 H ILE A 859 5.721 10.420 -2.892 1.00 0.00 H new ATOM 0 HA ILE A 859 8.280 11.819 -3.165 1.00 0.00 H new ATOM 0 HB ILE A 859 5.882 11.838 -5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 859 8.448 10.222 -5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 859 6.865 9.570 -4.893 1.00 0.00 H new ATOM 0 HG21 ILE A 859 7.518 12.793 -6.664 1.00 0.00 H new ATOM 0 HG22 ILE A 859 7.349 13.818 -5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 859 8.771 12.763 -5.400 1.00 0.00 H new ATOM 0 HD11 ILE A 859 7.434 9.202 -7.244 1.00 0.00 H new ATOM 0 HD12 ILE A 859 6.033 10.291 -7.105 1.00 0.00 H new ATOM 0 HD13 ILE A 859 7.641 10.953 -7.483 1.00 0.00 H new ATOM 148 N ARG A 860 7.294 14.023 -2.494 1.00 0.00 N ATOM 149 CA ARG A 860 6.736 15.297 -2.150 1.00 0.00 C ATOM 150 C ARG A 860 6.506 16.067 -3.414 1.00 0.00 C ATOM 151 O ARG A 860 7.438 16.309 -4.179 1.00 0.00 O ATOM 152 CB ARG A 860 7.617 16.092 -1.184 1.00 0.00 C ATOM 153 CG ARG A 860 7.628 15.564 0.239 1.00 0.00 C ATOM 154 CD ARG A 860 6.256 15.712 0.883 1.00 0.00 C ATOM 155 NE ARG A 860 6.254 15.274 2.278 1.00 0.00 N ATOM 156 CZ ARG A 860 5.282 15.519 3.165 1.00 0.00 C ATOM 157 NH1 ARG A 860 4.212 16.232 2.816 1.00 0.00 N ATOM 158 NH2 ARG A 860 5.388 15.055 4.405 1.00 0.00 N ATOM 0 H ARG A 860 8.313 13.977 -2.464 1.00 0.00 H new ATOM 0 HA ARG A 860 5.795 15.130 -1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 860 8.639 16.096 -1.564 1.00 0.00 H new ATOM 0 HB3 ARG A 860 7.277 17.128 -1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 860 7.923 14.515 0.240 1.00 0.00 H new ATOM 0 HG3 ARG A 860 8.370 16.105 0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 860 5.942 16.754 0.830 1.00 0.00 H new ATOM 0 HD3 ARG A 860 5.527 15.130 0.320 1.00 0.00 H new ATOM 0 HE ARG A 860 7.059 14.738 2.602 1.00 0.00 H new ATOM 0 HH11 ARG A 860 4.129 16.596 1.867 1.00 0.00 H new ATOM 0 HH12 ARG A 860 3.476 16.414 3.498 1.00 0.00 H new ATOM 0 HH21 ARG A 860 6.208 14.514 4.679 1.00 0.00 H new ATOM 0 HH22 ARG A 860 4.649 15.240 5.084 1.00 0.00 H new ATOM 172 N ASP A 861 5.269 16.373 -3.658 1.00 0.00 N ATOM 173 CA ASP A 861 4.854 17.147 -4.814 1.00 0.00 C ATOM 174 C ASP A 861 5.334 18.610 -4.682 1.00 0.00 C ATOM 175 O ASP A 861 5.893 18.998 -3.662 1.00 0.00 O ATOM 176 CB ASP A 861 3.314 17.062 -4.916 1.00 0.00 C ATOM 177 CG ASP A 861 2.687 17.899 -5.996 1.00 0.00 C ATOM 178 OD1 ASP A 861 2.731 17.527 -7.177 1.00 0.00 O ATOM 179 OD2 ASP A 861 2.185 18.972 -5.666 1.00 0.00 O ATOM 0 H ASP A 861 4.496 16.092 -3.055 1.00 0.00 H new ATOM 0 HA ASP A 861 5.300 16.747 -5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 861 3.036 16.021 -5.080 1.00 0.00 H new ATOM 0 HB3 ASP A 861 2.887 17.359 -3.958 1.00 0.00 H new ATOM 184 N GLU A 862 5.064 19.394 -5.685 1.00 0.00 N ATOM 185 CA GLU A 862 5.445 20.797 -5.766 1.00 0.00 C ATOM 186 C GLU A 862 4.688 21.604 -4.713 1.00 0.00 C ATOM 187 O GLU A 862 5.184 22.610 -4.193 1.00 0.00 O ATOM 188 CB GLU A 862 5.108 21.295 -7.153 1.00 0.00 C ATOM 189 CG GLU A 862 5.773 20.480 -8.235 1.00 0.00 C ATOM 190 CD GLU A 862 5.202 20.737 -9.584 1.00 0.00 C ATOM 191 OE1 GLU A 862 4.246 20.030 -9.966 1.00 0.00 O ATOM 192 OE2 GLU A 862 5.708 21.610 -10.298 1.00 0.00 O ATOM 0 H GLU A 862 4.553 19.073 -6.507 1.00 0.00 H new ATOM 0 HA GLU A 862 6.512 20.912 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 862 4.027 21.267 -7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 862 5.415 22.337 -7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 862 6.840 20.704 -8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 862 5.673 19.421 -7.999 1.00 0.00 H new ATOM 199 N TRP A 863 3.482 21.150 -4.405 1.00 0.00 N ATOM 200 CA TRP A 863 2.668 21.746 -3.363 1.00 0.00 C ATOM 201 C TRP A 863 2.992 21.063 -2.020 1.00 0.00 C ATOM 202 O TRP A 863 2.508 21.452 -0.961 1.00 0.00 O ATOM 203 CB TRP A 863 1.190 21.593 -3.741 1.00 0.00 C ATOM 204 CG TRP A 863 0.226 22.279 -2.833 1.00 0.00 C ATOM 205 CD1 TRP A 863 -0.523 21.705 -1.856 1.00 0.00 C ATOM 206 CD2 TRP A 863 -0.101 23.672 -2.824 1.00 0.00 C ATOM 207 NE1 TRP A 863 -1.284 22.654 -1.236 1.00 0.00 N ATOM 208 CE2 TRP A 863 -1.046 23.869 -1.806 1.00 0.00 C ATOM 209 CE3 TRP A 863 0.318 24.772 -3.575 1.00 0.00 C ATOM 210 CZ2 TRP A 863 -1.584 25.117 -1.516 1.00 0.00 C ATOM 211 CZ3 TRP A 863 -0.217 26.011 -3.287 1.00 0.00 C ATOM 212 CH2 TRP A 863 -1.158 26.174 -2.264 1.00 0.00 C ATOM 0 H TRP A 863 3.042 20.357 -4.873 1.00 0.00 H new ATOM 0 HA TRP A 863 2.883 22.810 -3.259 1.00 0.00 H new ATOM 0 HB2 TRP A 863 1.049 21.977 -4.751 1.00 0.00 H new ATOM 0 HB3 TRP A 863 0.947 20.531 -3.767 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -0.517 20.654 -1.607 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -1.930 22.481 -0.466 1.00 0.00 H new ATOM 0 HE3 TRP A 863 1.046 24.656 -4.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -2.312 25.245 -0.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 0.096 26.870 -3.861 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -1.555 27.158 -2.063 1.00 0.00 H new ATOM 223 N GLY A 864 3.855 20.069 -2.082 1.00 0.00 N ATOM 224 CA GLY A 864 4.272 19.340 -0.902 1.00 0.00 C ATOM 225 C GLY A 864 3.356 18.194 -0.581 1.00 0.00 C ATOM 226 O GLY A 864 3.474 17.578 0.487 1.00 0.00 O ATOM 0 H GLY A 864 4.285 19.745 -2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 864 5.283 18.962 -1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 864 4.308 20.021 -0.052 1.00 0.00 H new ATOM 230 N ASN A 865 2.447 17.891 -1.512 1.00 0.00 N ATOM 231 CA ASN A 865 1.481 16.799 -1.334 1.00 0.00 C ATOM 232 C ASN A 865 2.210 15.488 -1.206 1.00 0.00 C ATOM 233 O ASN A 865 3.306 15.317 -1.779 1.00 0.00 O ATOM 234 CB ASN A 865 0.480 16.673 -2.515 1.00 0.00 C ATOM 235 CG ASN A 865 -0.323 17.923 -2.810 1.00 0.00 C ATOM 236 OD1 ASN A 865 0.040 18.637 -3.842 1.00 0.00 O flip ATOM 237 ND2 ASN A 865 -1.319 18.204 -2.157 1.00 0.00 N flip ATOM 0 H ASN A 865 2.358 18.387 -2.399 1.00 0.00 H new ATOM 0 HA ASN A 865 0.917 17.035 -0.431 1.00 0.00 H new ATOM 0 HB2 ASN A 865 1.033 16.395 -3.412 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -0.211 15.858 -2.300 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -1.582 17.631 -1.355 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -1.887 19.011 -2.414 1.00 0.00 H new ATOM 244 N GLN A 866 1.644 14.580 -0.460 1.00 0.00 N ATOM 245 CA GLN A 866 2.219 13.281 -0.316 1.00 0.00 C ATOM 246 C GLN A 866 1.762 12.401 -1.429 1.00 0.00 C ATOM 247 O GLN A 866 0.612 11.938 -1.471 1.00 0.00 O ATOM 248 CB GLN A 866 1.921 12.666 1.040 1.00 0.00 C ATOM 249 CG GLN A 866 2.593 13.402 2.165 1.00 0.00 C ATOM 250 CD GLN A 866 2.242 12.869 3.534 1.00 0.00 C ATOM 251 OE1 GLN A 866 1.273 13.303 4.157 1.00 0.00 O ATOM 252 NE2 GLN A 866 3.036 11.963 4.039 1.00 0.00 N ATOM 0 H GLN A 866 0.778 14.722 0.060 1.00 0.00 H new ATOM 0 HA GLN A 866 3.303 13.383 -0.370 1.00 0.00 H new ATOM 0 HB2 GLN A 866 0.844 12.662 1.205 1.00 0.00 H new ATOM 0 HB3 GLN A 866 2.248 11.626 1.044 1.00 0.00 H new ATOM 0 HG2 GLN A 866 3.673 13.347 2.029 1.00 0.00 H new ATOM 0 HG3 GLN A 866 2.318 14.456 2.114 1.00 0.00 H new ATOM 0 HE21 GLN A 866 3.831 11.623 3.498 1.00 0.00 H new ATOM 0 HE22 GLN A 866 2.861 11.596 4.974 1.00 0.00 H new ATOM 261 N ILE A 867 2.623 12.246 -2.362 1.00 0.00 N ATOM 262 CA ILE A 867 2.369 11.396 -3.464 1.00 0.00 C ATOM 263 C ILE A 867 2.848 10.038 -3.103 1.00 0.00 C ATOM 264 O ILE A 867 4.045 9.822 -2.885 1.00 0.00 O ATOM 265 CB ILE A 867 3.109 11.829 -4.729 1.00 0.00 C ATOM 266 CG1 ILE A 867 2.766 13.259 -5.128 1.00 0.00 C ATOM 267 CG2 ILE A 867 2.819 10.858 -5.870 1.00 0.00 C ATOM 268 CD1 ILE A 867 1.314 13.494 -5.460 1.00 0.00 C ATOM 0 H ILE A 867 3.532 12.709 -2.384 1.00 0.00 H new ATOM 0 HA ILE A 867 1.300 11.429 -3.675 1.00 0.00 H new ATOM 0 HB ILE A 867 4.177 11.807 -4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 867 3.050 13.926 -4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 867 3.371 13.535 -5.992 1.00 0.00 H new ATOM 0 HG21 ILE A 867 3.352 11.178 -6.765 1.00 0.00 H new ATOM 0 HG22 ILE A 867 3.149 9.858 -5.589 1.00 0.00 H new ATOM 0 HG23 ILE A 867 1.748 10.843 -6.072 1.00 0.00 H new ATOM 0 HD11 ILE A 867 1.167 14.539 -5.732 1.00 0.00 H new ATOM 0 HD12 ILE A 867 1.024 12.858 -6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 867 0.699 13.255 -4.592 1.00 0.00 H new ATOM 280 N TRP A 868 1.949 9.154 -3.019 1.00 0.00 N ATOM 281 CA TRP A 868 2.270 7.808 -2.704 1.00 0.00 C ATOM 282 C TRP A 868 2.229 6.960 -3.930 1.00 0.00 C ATOM 283 O TRP A 868 1.258 6.987 -4.687 1.00 0.00 O ATOM 284 CB TRP A 868 1.339 7.253 -1.651 1.00 0.00 C ATOM 285 CG TRP A 868 1.616 7.752 -0.269 1.00 0.00 C ATOM 286 CD1 TRP A 868 2.735 7.508 0.454 1.00 0.00 C ATOM 287 CD2 TRP A 868 0.755 8.532 0.572 1.00 0.00 C ATOM 288 NE1 TRP A 868 2.646 8.103 1.687 1.00 0.00 N ATOM 289 CE2 TRP A 868 1.438 8.734 1.789 1.00 0.00 C ATOM 290 CE3 TRP A 868 -0.517 9.079 0.417 1.00 0.00 C ATOM 291 CZ2 TRP A 868 0.891 9.461 2.841 1.00 0.00 C ATOM 292 CZ3 TRP A 868 -1.062 9.800 1.465 1.00 0.00 C ATOM 293 CH2 TRP A 868 -0.359 9.984 2.661 1.00 0.00 C ATOM 0 H TRP A 868 0.955 9.331 -3.166 1.00 0.00 H new ATOM 0 HA TRP A 868 3.282 7.793 -2.300 1.00 0.00 H new ATOM 0 HB2 TRP A 868 0.313 7.506 -1.918 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.411 6.165 -1.654 1.00 0.00 H new ATOM 0 HD1 TRP A 868 3.578 6.927 0.109 1.00 0.00 H new ATOM 0 HE1 TRP A 868 3.365 8.078 2.410 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -1.067 8.943 -0.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 1.433 9.607 3.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -2.048 10.228 1.358 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -0.814 10.552 3.459 1.00 0.00 H new ATOM 304 N ILE A 869 3.289 6.274 -4.168 1.00 0.00 N ATOM 305 CA ILE A 869 3.342 5.337 -5.227 1.00 0.00 C ATOM 306 C ILE A 869 2.846 4.014 -4.712 1.00 0.00 C ATOM 307 O ILE A 869 3.322 3.527 -3.692 1.00 0.00 O ATOM 308 CB ILE A 869 4.763 5.212 -5.864 1.00 0.00 C ATOM 309 CG1 ILE A 869 5.127 6.528 -6.580 1.00 0.00 C ATOM 310 CG2 ILE A 869 4.845 4.019 -6.820 1.00 0.00 C ATOM 311 CD1 ILE A 869 6.414 6.496 -7.374 1.00 0.00 C ATOM 0 H ILE A 869 4.151 6.349 -3.627 1.00 0.00 H new ATOM 0 HA ILE A 869 2.701 5.689 -6.035 1.00 0.00 H new ATOM 0 HB ILE A 869 5.487 5.032 -5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 869 4.311 6.795 -7.252 1.00 0.00 H new ATOM 0 HG13 ILE A 869 5.198 7.320 -5.835 1.00 0.00 H new ATOM 0 HG21 ILE A 869 5.847 3.962 -7.245 1.00 0.00 H new ATOM 0 HG22 ILE A 869 4.629 3.100 -6.275 1.00 0.00 H new ATOM 0 HG23 ILE A 869 4.117 4.144 -7.622 1.00 0.00 H new ATOM 0 HD11 ILE A 869 6.579 7.468 -7.838 1.00 0.00 H new ATOM 0 HD12 ILE A 869 7.246 6.265 -6.709 1.00 0.00 H new ATOM 0 HD13 ILE A 869 6.345 5.731 -8.148 1.00 0.00 H new ATOM 323 N CYS A 870 1.852 3.507 -5.390 1.00 0.00 N ATOM 324 CA CYS A 870 1.220 2.271 -5.115 1.00 0.00 C ATOM 325 C CYS A 870 2.106 1.172 -5.678 1.00 0.00 C ATOM 326 O CYS A 870 2.188 1.019 -6.883 1.00 0.00 O ATOM 327 CB CYS A 870 -0.148 2.313 -5.846 1.00 0.00 C ATOM 328 SG CYS A 870 -1.217 0.842 -5.816 1.00 0.00 S ATOM 0 H CYS A 870 1.447 3.985 -6.195 1.00 0.00 H new ATOM 0 HA CYS A 870 1.068 2.089 -4.051 1.00 0.00 H new ATOM 0 HB2 CYS A 870 -0.719 3.142 -5.426 1.00 0.00 H new ATOM 0 HB3 CYS A 870 0.046 2.556 -6.891 1.00 0.00 H new ATOM 0 HG CYS A 870 -2.046 0.887 -6.817 1.00 0.00 H new ATOM 333 N PRO A 871 2.808 0.420 -4.825 1.00 0.00 N ATOM 334 CA PRO A 871 3.701 -0.680 -5.246 1.00 0.00 C ATOM 335 C PRO A 871 2.945 -1.877 -5.861 1.00 0.00 C ATOM 336 O PRO A 871 3.497 -2.975 -5.998 1.00 0.00 O ATOM 337 CB PRO A 871 4.401 -1.106 -3.942 1.00 0.00 C ATOM 338 CG PRO A 871 4.156 0.010 -2.988 1.00 0.00 C ATOM 339 CD PRO A 871 2.835 0.598 -3.377 1.00 0.00 C ATOM 0 HA PRO A 871 4.384 -0.351 -6.029 1.00 0.00 H new ATOM 0 HB2 PRO A 871 3.994 -2.044 -3.564 1.00 0.00 H new ATOM 0 HB3 PRO A 871 5.468 -1.262 -4.100 1.00 0.00 H new ATOM 0 HG2 PRO A 871 4.135 -0.352 -1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 871 4.949 0.756 -3.047 1.00 0.00 H new ATOM 0 HD2 PRO A 871 2.006 0.083 -2.892 1.00 0.00 H new ATOM 0 HD3 PRO A 871 2.764 1.649 -3.099 1.00 0.00 H new ATOM 347 N GLY A 872 1.685 -1.673 -6.188 1.00 0.00 N ATOM 348 CA GLY A 872 0.923 -2.670 -6.867 1.00 0.00 C ATOM 349 C GLY A 872 1.009 -2.467 -8.361 1.00 0.00 C ATOM 350 O GLY A 872 1.134 -3.426 -9.123 1.00 0.00 O ATOM 0 H GLY A 872 1.174 -0.813 -5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 872 1.293 -3.661 -6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 872 -0.118 -2.624 -6.546 1.00 0.00 H new ATOM 354 N CYS A 873 0.960 -1.213 -8.778 1.00 0.00 N ATOM 355 CA CYS A 873 1.033 -0.853 -10.174 1.00 0.00 C ATOM 356 C CYS A 873 2.344 -0.120 -10.466 1.00 0.00 C ATOM 357 O CYS A 873 2.843 -0.126 -11.605 1.00 0.00 O ATOM 358 CB CYS A 873 -0.135 0.071 -10.462 1.00 0.00 C ATOM 359 SG CYS A 873 -0.230 1.468 -9.307 1.00 0.00 S ATOM 0 H CYS A 873 0.868 -0.415 -8.149 1.00 0.00 H new ATOM 0 HA CYS A 873 0.994 -1.746 -10.798 1.00 0.00 H new ATOM 0 HB2 CYS A 873 -0.048 0.452 -11.479 1.00 0.00 H new ATOM 0 HB3 CYS A 873 -1.063 -0.498 -10.413 1.00 0.00 H new ATOM 0 HG CYS A 873 -0.635 1.045 -8.146 1.00 0.00 H new ATOM 364 N ASN A 874 2.870 0.503 -9.412 1.00 0.00 N ATOM 365 CA ASN A 874 4.059 1.355 -9.410 1.00 0.00 C ATOM 366 C ASN A 874 3.729 2.745 -9.913 1.00 0.00 C ATOM 367 O ASN A 874 4.612 3.527 -10.257 1.00 0.00 O ATOM 368 CB ASN A 874 5.300 0.744 -10.115 1.00 0.00 C ATOM 369 CG ASN A 874 5.912 -0.422 -9.345 1.00 0.00 C ATOM 370 OD1 ASN A 874 5.221 -1.174 -8.653 1.00 0.00 O ATOM 371 ND2 ASN A 874 7.211 -0.578 -9.435 1.00 0.00 N ATOM 0 H ASN A 874 2.454 0.422 -8.484 1.00 0.00 H new ATOM 0 HA ASN A 874 4.366 1.432 -8.367 1.00 0.00 H new ATOM 0 HB2 ASN A 874 5.014 0.404 -11.110 1.00 0.00 H new ATOM 0 HB3 ASN A 874 6.054 1.520 -10.247 1.00 0.00 H new ATOM 0 HD21 ASN A 874 7.670 -1.334 -8.927 1.00 0.00 H new ATOM 0 HD22 ASN A 874 7.762 0.056 -10.013 1.00 0.00 H new ATOM 378 N LYS A 875 2.451 3.080 -9.895 1.00 0.00 N ATOM 379 CA LYS A 875 2.007 4.391 -10.297 1.00 0.00 C ATOM 380 C LYS A 875 1.870 5.303 -9.084 1.00 0.00 C ATOM 381 O LYS A 875 1.418 4.870 -8.008 1.00 0.00 O ATOM 382 CB LYS A 875 0.662 4.339 -11.014 1.00 0.00 C ATOM 383 CG LYS A 875 0.640 3.500 -12.270 1.00 0.00 C ATOM 384 CD LYS A 875 -0.771 3.403 -12.831 1.00 0.00 C ATOM 385 CE LYS A 875 -0.819 2.539 -14.075 1.00 0.00 C ATOM 386 NZ LYS A 875 -2.165 2.507 -14.678 1.00 0.00 N ATOM 0 H LYS A 875 1.702 2.452 -9.603 1.00 0.00 H new ATOM 0 HA LYS A 875 2.759 4.782 -10.982 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -0.086 3.951 -10.323 1.00 0.00 H new ATOM 0 HB3 LYS A 875 0.364 5.356 -11.269 1.00 0.00 H new ATOM 0 HG2 LYS A 875 1.303 3.937 -13.016 1.00 0.00 H new ATOM 0 HG3 LYS A 875 1.019 2.501 -12.052 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -1.436 2.989 -12.074 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -1.139 4.402 -13.067 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -0.104 2.917 -14.806 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -0.511 1.524 -13.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -2.151 1.905 -15.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -2.844 2.122 -13.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -2.450 3.472 -14.943 1.00 0.00 H new ATOM 400 N PRO A 876 2.300 6.552 -9.219 1.00 0.00 N ATOM 401 CA PRO A 876 2.127 7.569 -8.192 1.00 0.00 C ATOM 402 C PRO A 876 0.674 8.029 -8.092 1.00 0.00 C ATOM 403 O PRO A 876 -0.071 8.006 -9.073 1.00 0.00 O ATOM 404 CB PRO A 876 3.017 8.720 -8.664 1.00 0.00 C ATOM 405 CG PRO A 876 3.144 8.533 -10.130 1.00 0.00 C ATOM 406 CD PRO A 876 3.039 7.058 -10.382 1.00 0.00 C ATOM 0 HA PRO A 876 2.389 7.198 -7.201 1.00 0.00 H new ATOM 0 HB2 PRO A 876 2.571 9.686 -8.427 1.00 0.00 H new ATOM 0 HB3 PRO A 876 3.992 8.690 -8.177 1.00 0.00 H new ATOM 0 HG2 PRO A 876 2.360 9.074 -10.659 1.00 0.00 H new ATOM 0 HG3 PRO A 876 4.097 8.921 -10.489 1.00 0.00 H new ATOM 0 HD2 PRO A 876 2.511 6.848 -11.312 1.00 0.00 H new ATOM 0 HD3 PRO A 876 4.023 6.596 -10.462 1.00 0.00 H new ATOM 414 N ASP A 877 0.276 8.392 -6.907 1.00 0.00 N ATOM 415 CA ASP A 877 -1.066 8.877 -6.642 1.00 0.00 C ATOM 416 C ASP A 877 -1.340 10.243 -7.253 1.00 0.00 C ATOM 417 O ASP A 877 -0.471 11.120 -7.289 1.00 0.00 O ATOM 418 CB ASP A 877 -1.345 8.889 -5.139 1.00 0.00 C ATOM 419 CG ASP A 877 -2.671 9.523 -4.776 1.00 0.00 C ATOM 420 OD1 ASP A 877 -3.722 9.141 -5.353 1.00 0.00 O ATOM 421 OD2 ASP A 877 -2.680 10.450 -3.951 1.00 0.00 O ATOM 0 H ASP A 877 0.874 8.363 -6.081 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.750 8.181 -7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -1.327 7.865 -4.766 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -0.543 9.427 -4.633 1.00 0.00 H new ATOM 426 N ASP A 878 -2.540 10.378 -7.751 1.00 0.00 N ATOM 427 CA ASP A 878 -3.067 11.607 -8.324 1.00 0.00 C ATOM 428 C ASP A 878 -3.651 12.470 -7.222 1.00 0.00 C ATOM 429 O ASP A 878 -3.527 13.703 -7.216 1.00 0.00 O ATOM 430 CB ASP A 878 -4.187 11.239 -9.317 1.00 0.00 C ATOM 431 CG ASP A 878 -5.091 12.405 -9.692 1.00 0.00 C ATOM 432 OD1 ASP A 878 -4.741 13.187 -10.585 1.00 0.00 O ATOM 433 OD2 ASP A 878 -6.188 12.537 -9.105 1.00 0.00 O ATOM 0 H ASP A 878 -3.211 9.610 -7.774 1.00 0.00 H new ATOM 0 HA ASP A 878 -2.271 12.153 -8.830 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -3.736 10.836 -10.224 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -4.796 10.445 -8.884 1.00 0.00 H new ATOM 438 N GLY A 879 -4.196 11.795 -6.270 1.00 0.00 N ATOM 439 CA GLY A 879 -4.966 12.378 -5.225 1.00 0.00 C ATOM 440 C GLY A 879 -6.258 11.633 -5.190 1.00 0.00 C ATOM 441 O GLY A 879 -7.334 12.217 -5.170 1.00 0.00 O ATOM 0 H GLY A 879 -4.114 10.781 -6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -4.447 12.300 -4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -5.134 13.439 -5.411 1.00 0.00 H new ATOM 445 N SER A 880 -6.133 10.336 -5.237 1.00 0.00 N ATOM 446 CA SER A 880 -7.241 9.436 -5.353 1.00 0.00 C ATOM 447 C SER A 880 -7.361 8.598 -4.077 1.00 0.00 C ATOM 448 O SER A 880 -6.433 8.605 -3.269 1.00 0.00 O ATOM 449 CB SER A 880 -7.019 8.561 -6.612 1.00 0.00 C ATOM 450 OG SER A 880 -5.707 7.966 -6.641 1.00 0.00 O ATOM 0 H SER A 880 -5.230 9.864 -5.194 1.00 0.00 H new ATOM 0 HA SER A 880 -8.180 9.978 -5.467 1.00 0.00 H new ATOM 0 HB2 SER A 880 -7.773 7.774 -6.642 1.00 0.00 H new ATOM 0 HB3 SER A 880 -7.159 9.171 -7.505 1.00 0.00 H new ATOM 0 HG SER A 880 -5.197 8.261 -5.858 1.00 0.00 H new ATOM 456 N PRO A 881 -8.503 7.898 -3.842 1.00 0.00 N ATOM 457 CA PRO A 881 -8.669 7.057 -2.656 1.00 0.00 C ATOM 458 C PRO A 881 -7.645 5.927 -2.626 1.00 0.00 C ATOM 459 O PRO A 881 -7.512 5.132 -3.588 1.00 0.00 O ATOM 460 CB PRO A 881 -10.086 6.494 -2.779 1.00 0.00 C ATOM 461 CG PRO A 881 -10.770 7.372 -3.766 1.00 0.00 C ATOM 462 CD PRO A 881 -9.707 7.881 -4.690 1.00 0.00 C ATOM 0 HA PRO A 881 -8.519 7.621 -1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -10.070 5.458 -3.118 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -10.600 6.507 -1.818 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -11.530 6.818 -4.317 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -11.277 8.197 -3.266 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -9.581 7.230 -5.555 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -9.946 8.874 -5.070 1.00 0.00 H new ATOM 470 N MET A 882 -6.908 5.869 -1.554 1.00 0.00 N ATOM 471 CA MET A 882 -5.881 4.892 -1.397 1.00 0.00 C ATOM 472 C MET A 882 -6.125 4.131 -0.125 1.00 0.00 C ATOM 473 O MET A 882 -6.870 4.583 0.746 1.00 0.00 O ATOM 474 CB MET A 882 -4.486 5.539 -1.354 1.00 0.00 C ATOM 475 CG MET A 882 -4.152 6.409 -2.549 1.00 0.00 C ATOM 476 SD MET A 882 -2.454 7.010 -2.524 1.00 0.00 S ATOM 477 CE MET A 882 -1.567 5.532 -2.999 1.00 0.00 C ATOM 0 H MET A 882 -7.007 6.504 -0.762 1.00 0.00 H new ATOM 0 HA MET A 882 -5.908 4.220 -2.255 1.00 0.00 H new ATOM 0 HB2 MET A 882 -4.409 6.143 -0.450 1.00 0.00 H new ATOM 0 HB3 MET A 882 -3.737 4.751 -1.276 1.00 0.00 H new ATOM 0 HG2 MET A 882 -4.318 5.840 -3.464 1.00 0.00 H new ATOM 0 HG3 MET A 882 -4.833 7.260 -2.575 1.00 0.00 H new ATOM 0 HE1 MET A 882 -0.732 5.374 -2.316 1.00 0.00 H new ATOM 0 HE2 MET A 882 -2.239 4.675 -2.956 1.00 0.00 H new ATOM 0 HE3 MET A 882 -1.189 5.645 -4.015 1.00 0.00 H new ATOM 487 N ILE A 883 -5.521 3.001 -0.021 1.00 0.00 N ATOM 488 CA ILE A 883 -5.645 2.165 1.127 1.00 0.00 C ATOM 489 C ILE A 883 -4.246 1.749 1.585 1.00 0.00 C ATOM 490 O ILE A 883 -3.383 1.479 0.760 1.00 0.00 O ATOM 491 CB ILE A 883 -6.561 0.937 0.824 1.00 0.00 C ATOM 492 CG1 ILE A 883 -6.710 0.052 2.069 1.00 0.00 C ATOM 493 CG2 ILE A 883 -6.067 0.146 -0.409 1.00 0.00 C ATOM 494 CD1 ILE A 883 -7.754 -1.026 1.944 1.00 0.00 C ATOM 0 H ILE A 883 -4.913 2.620 -0.746 1.00 0.00 H new ATOM 0 HA ILE A 883 -6.126 2.712 1.938 1.00 0.00 H new ATOM 0 HB ILE A 883 -7.554 1.308 0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 883 -5.749 -0.414 2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 883 -6.958 0.684 2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 883 -6.730 -0.701 -0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 883 -6.067 0.797 -1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 883 -5.056 -0.217 -0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 883 -7.793 -1.604 2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 883 -8.727 -0.571 1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 883 -7.499 -1.685 1.114 1.00 0.00 H new ATOM 506 N GLY A 884 -4.012 1.757 2.877 1.00 0.00 N ATOM 507 CA GLY A 884 -2.690 1.449 3.388 1.00 0.00 C ATOM 508 C GLY A 884 -2.621 0.103 4.072 1.00 0.00 C ATOM 509 O GLY A 884 -3.633 -0.391 4.606 1.00 0.00 O ATOM 0 H GLY A 884 -4.710 1.971 3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 884 -1.975 1.470 2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 884 -2.389 2.224 4.092 1.00 0.00 H new ATOM 513 N CYS A 885 -1.446 -0.496 4.055 1.00 0.00 N ATOM 514 CA CYS A 885 -1.222 -1.779 4.688 1.00 0.00 C ATOM 515 C CYS A 885 -1.080 -1.608 6.204 1.00 0.00 C ATOM 516 O CYS A 885 -0.932 -0.483 6.719 1.00 0.00 O ATOM 517 CB CYS A 885 0.046 -2.448 4.090 1.00 0.00 C ATOM 518 SG CYS A 885 0.463 -4.123 4.706 1.00 0.00 S ATOM 0 H CYS A 885 -0.620 -0.106 3.601 1.00 0.00 H new ATOM 0 HA CYS A 885 -2.080 -2.424 4.498 1.00 0.00 H new ATOM 0 HB2 CYS A 885 -0.077 -2.504 3.008 1.00 0.00 H new ATOM 0 HB3 CYS A 885 0.897 -1.794 4.280 1.00 0.00 H new ATOM 0 HG CYS A 885 1.713 -4.379 4.455 1.00 0.00 H new ATOM 523 N ASP A 886 -1.135 -2.717 6.896 1.00 0.00 N ATOM 524 CA ASP A 886 -0.999 -2.751 8.342 1.00 0.00 C ATOM 525 C ASP A 886 0.384 -3.269 8.700 1.00 0.00 C ATOM 526 O ASP A 886 0.923 -2.962 9.768 1.00 0.00 O ATOM 527 CB ASP A 886 -2.082 -3.655 8.968 1.00 0.00 C ATOM 528 CG ASP A 886 -2.037 -3.703 10.496 1.00 0.00 C ATOM 529 OD1 ASP A 886 -2.709 -2.872 11.149 1.00 0.00 O ATOM 530 OD2 ASP A 886 -1.376 -4.590 11.071 1.00 0.00 O ATOM 0 H ASP A 886 -1.277 -3.635 6.474 1.00 0.00 H new ATOM 0 HA ASP A 886 -1.127 -1.743 8.737 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -3.064 -3.301 8.653 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -1.968 -4.667 8.578 1.00 0.00 H new ATOM 535 N ASP A 887 0.987 -4.007 7.778 1.00 0.00 N ATOM 536 CA ASP A 887 2.289 -4.611 8.030 1.00 0.00 C ATOM 537 C ASP A 887 3.391 -3.630 7.728 1.00 0.00 C ATOM 538 O ASP A 887 4.373 -3.530 8.471 1.00 0.00 O ATOM 539 CB ASP A 887 2.499 -5.883 7.208 1.00 0.00 C ATOM 540 CG ASP A 887 3.803 -6.592 7.549 1.00 0.00 C ATOM 541 OD1 ASP A 887 4.874 -6.247 6.988 1.00 0.00 O ATOM 542 OD2 ASP A 887 3.783 -7.523 8.383 1.00 0.00 O ATOM 0 H ASP A 887 0.599 -4.201 6.855 1.00 0.00 H new ATOM 0 HA ASP A 887 2.317 -4.882 9.085 1.00 0.00 H new ATOM 0 HB2 ASP A 887 1.665 -6.563 7.378 1.00 0.00 H new ATOM 0 HB3 ASP A 887 2.493 -5.631 6.148 1.00 0.00 H new ATOM 547 N CYS A 888 3.240 -2.890 6.653 1.00 0.00 N ATOM 548 CA CYS A 888 4.245 -1.939 6.302 1.00 0.00 C ATOM 549 C CYS A 888 3.797 -0.521 6.603 1.00 0.00 C ATOM 550 O CYS A 888 3.862 -0.074 7.752 1.00 0.00 O ATOM 551 CB CYS A 888 4.715 -2.119 4.841 1.00 0.00 C ATOM 552 SG CYS A 888 3.407 -2.084 3.561 1.00 0.00 S ATOM 0 H CYS A 888 2.440 -2.933 6.021 1.00 0.00 H new ATOM 0 HA CYS A 888 5.116 -2.129 6.930 1.00 0.00 H new ATOM 0 HB2 CYS A 888 5.437 -1.335 4.614 1.00 0.00 H new ATOM 0 HB3 CYS A 888 5.243 -3.070 4.766 1.00 0.00 H new ATOM 0 HG CYS A 888 3.944 -2.245 2.388 1.00 0.00 H new ATOM 557 N ASP A 889 3.261 0.131 5.594 1.00 0.00 N ATOM 558 CA ASP A 889 2.794 1.526 5.669 1.00 0.00 C ATOM 559 C ASP A 889 2.361 1.993 4.303 1.00 0.00 C ATOM 560 O ASP A 889 1.584 2.931 4.189 1.00 0.00 O ATOM 561 CB ASP A 889 3.894 2.486 6.198 1.00 0.00 C ATOM 562 CG ASP A 889 3.424 3.934 6.351 1.00 0.00 C ATOM 563 OD1 ASP A 889 2.572 4.220 7.237 1.00 0.00 O ATOM 564 OD2 ASP A 889 3.897 4.809 5.601 1.00 0.00 O ATOM 0 H ASP A 889 3.129 -0.289 4.674 1.00 0.00 H new ATOM 0 HA ASP A 889 1.958 1.548 6.368 1.00 0.00 H new ATOM 0 HB2 ASP A 889 4.246 2.124 7.164 1.00 0.00 H new ATOM 0 HB3 ASP A 889 4.745 2.459 5.518 1.00 0.00 H new ATOM 569 N ASP A 890 2.842 1.307 3.269 1.00 0.00 N ATOM 570 CA ASP A 890 2.569 1.696 1.881 1.00 0.00 C ATOM 571 C ASP A 890 1.109 1.808 1.547 1.00 0.00 C ATOM 572 O ASP A 890 0.265 1.011 2.013 1.00 0.00 O ATOM 573 CB ASP A 890 3.293 0.824 0.850 1.00 0.00 C ATOM 574 CG ASP A 890 4.753 1.148 0.737 1.00 0.00 C ATOM 575 OD1 ASP A 890 5.091 2.238 0.236 1.00 0.00 O ATOM 576 OD2 ASP A 890 5.595 0.336 1.170 1.00 0.00 O ATOM 0 H ASP A 890 3.425 0.475 3.363 1.00 0.00 H new ATOM 0 HA ASP A 890 2.984 2.702 1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 890 3.178 -0.225 1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 890 2.821 0.953 -0.124 1.00 0.00 H new ATOM 581 N TRP A 891 0.822 2.799 0.744 1.00 0.00 N ATOM 582 CA TRP A 891 -0.503 3.111 0.307 1.00 0.00 C ATOM 583 C TRP A 891 -0.684 2.654 -1.115 1.00 0.00 C ATOM 584 O TRP A 891 0.153 2.922 -1.978 1.00 0.00 O ATOM 585 CB TRP A 891 -0.768 4.613 0.395 1.00 0.00 C ATOM 586 CG TRP A 891 -0.871 5.165 1.780 1.00 0.00 C ATOM 587 CD1 TRP A 891 0.145 5.475 2.630 1.00 0.00 C ATOM 588 CD2 TRP A 891 -2.078 5.502 2.459 1.00 0.00 C ATOM 589 NE1 TRP A 891 -0.362 5.979 3.805 1.00 0.00 N ATOM 590 CE2 TRP A 891 -1.725 6.007 3.721 1.00 0.00 C ATOM 591 CE3 TRP A 891 -3.424 5.422 2.119 1.00 0.00 C ATOM 592 CZ2 TRP A 891 -2.675 6.432 4.641 1.00 0.00 C ATOM 593 CZ3 TRP A 891 -4.365 5.841 3.025 1.00 0.00 C ATOM 594 CH2 TRP A 891 -3.988 6.342 4.275 1.00 0.00 C ATOM 0 H TRP A 891 1.531 3.428 0.367 1.00 0.00 H new ATOM 0 HA TRP A 891 -1.210 2.596 0.957 1.00 0.00 H new ATOM 0 HB2 TRP A 891 0.032 5.137 -0.128 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -1.694 4.833 -0.136 1.00 0.00 H new ATOM 0 HD1 TRP A 891 1.195 5.345 2.414 1.00 0.00 H new ATOM 0 HE1 TRP A 891 0.190 6.282 4.608 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -3.724 5.036 1.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -2.387 6.818 5.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -5.413 5.783 2.769 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -4.752 6.665 4.967 1.00 0.00 H new ATOM 605 N TYR A 892 -1.757 1.971 -1.350 1.00 0.00 N ATOM 606 CA TYR A 892 -2.083 1.440 -2.647 1.00 0.00 C ATOM 607 C TYR A 892 -3.362 2.059 -3.125 1.00 0.00 C ATOM 608 O TYR A 892 -4.168 2.506 -2.322 1.00 0.00 O ATOM 609 CB TYR A 892 -2.229 -0.085 -2.576 1.00 0.00 C ATOM 610 CG TYR A 892 -0.935 -0.816 -2.300 1.00 0.00 C ATOM 611 CD1 TYR A 892 -0.261 -0.653 -1.103 1.00 0.00 C ATOM 612 CD2 TYR A 892 -0.388 -1.668 -3.242 1.00 0.00 C ATOM 613 CE1 TYR A 892 0.905 -1.304 -0.851 1.00 0.00 C ATOM 614 CE2 TYR A 892 0.785 -2.339 -2.987 1.00 0.00 C ATOM 615 CZ TYR A 892 1.424 -2.148 -1.790 1.00 0.00 C ATOM 616 OH TYR A 892 2.564 -2.826 -1.516 1.00 0.00 O ATOM 0 H TYR A 892 -2.451 1.758 -0.634 1.00 0.00 H new ATOM 0 HA TYR A 892 -1.281 1.676 -3.346 1.00 0.00 H new ATOM 0 HB2 TYR A 892 -2.948 -0.335 -1.796 1.00 0.00 H new ATOM 0 HB3 TYR A 892 -2.643 -0.444 -3.518 1.00 0.00 H new ATOM 0 HD1 TYR A 892 -0.671 0.006 -0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 892 -0.888 -1.808 -4.189 1.00 0.00 H new ATOM 0 HE1 TYR A 892 1.418 -1.154 0.087 1.00 0.00 H new ATOM 0 HE2 TYR A 892 1.199 -3.011 -3.724 1.00 0.00 H new ATOM 0 HH TYR A 892 2.475 -3.281 -0.653 1.00 0.00 H new ATOM 626 N HIS A 893 -3.551 2.093 -4.404 1.00 0.00 N ATOM 627 CA HIS A 893 -4.753 2.678 -4.980 1.00 0.00 C ATOM 628 C HIS A 893 -5.886 1.674 -4.912 1.00 0.00 C ATOM 629 O HIS A 893 -5.662 0.469 -5.083 1.00 0.00 O ATOM 630 CB HIS A 893 -4.553 3.092 -6.452 1.00 0.00 C ATOM 631 CG HIS A 893 -3.447 4.067 -6.719 1.00 0.00 C ATOM 632 ND1 HIS A 893 -2.417 3.754 -7.586 1.00 0.00 N ATOM 633 CD2 HIS A 893 -3.277 5.329 -6.263 1.00 0.00 C ATOM 634 CE1 HIS A 893 -1.650 4.844 -7.633 1.00 0.00 C ATOM 635 NE2 HIS A 893 -2.128 5.810 -6.847 1.00 0.00 N ATOM 0 H HIS A 893 -2.891 1.723 -5.088 1.00 0.00 H new ATOM 0 HA HIS A 893 -4.986 3.572 -4.402 1.00 0.00 H new ATOM 0 HB2 HIS A 893 -4.366 2.193 -7.039 1.00 0.00 H new ATOM 0 HB3 HIS A 893 -5.485 3.523 -6.817 1.00 0.00 H new ATOM 0 HD1 HIS A 893 -2.274 2.876 -8.084 1.00 0.00 H new ATOM 0 HD2 HIS A 893 -3.919 5.857 -5.574 1.00 0.00 H new ATOM 0 HE1 HIS A 893 -0.755 4.933 -8.231 1.00 0.00 H new ATOM 643 N TRP A 894 -7.087 2.163 -4.663 1.00 0.00 N ATOM 644 CA TRP A 894 -8.289 1.320 -4.624 1.00 0.00 C ATOM 645 C TRP A 894 -8.487 0.440 -5.880 1.00 0.00 C ATOM 646 O TRP A 894 -8.659 -0.780 -5.743 1.00 0.00 O ATOM 647 CB TRP A 894 -9.545 2.142 -4.332 1.00 0.00 C ATOM 648 CG TRP A 894 -9.736 2.484 -2.894 1.00 0.00 C ATOM 649 CD1 TRP A 894 -8.823 2.386 -1.883 1.00 0.00 C ATOM 650 CD2 TRP A 894 -10.937 2.963 -2.301 1.00 0.00 C ATOM 651 NE1 TRP A 894 -9.394 2.772 -0.698 1.00 0.00 N ATOM 652 CE2 TRP A 894 -10.687 3.134 -0.932 1.00 0.00 C ATOM 653 CE3 TRP A 894 -12.206 3.269 -2.803 1.00 0.00 C ATOM 654 CZ2 TRP A 894 -11.651 3.589 -0.059 1.00 0.00 C ATOM 655 CZ3 TRP A 894 -13.167 3.726 -1.931 1.00 0.00 C ATOM 656 CH2 TRP A 894 -12.881 3.882 -0.571 1.00 0.00 C ATOM 0 H TRP A 894 -7.267 3.151 -4.482 1.00 0.00 H new ATOM 0 HA TRP A 894 -8.122 0.629 -3.798 1.00 0.00 H new ATOM 0 HB2 TRP A 894 -9.503 3.065 -4.910 1.00 0.00 H new ATOM 0 HB3 TRP A 894 -10.417 1.587 -4.680 1.00 0.00 H new ATOM 0 HD1 TRP A 894 -7.802 2.054 -2.000 1.00 0.00 H new ATOM 0 HE1 TRP A 894 -8.928 2.786 0.209 1.00 0.00 H new ATOM 0 HE3 TRP A 894 -12.427 3.149 -3.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 -11.440 3.709 0.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 -14.153 3.967 -2.301 1.00 0.00 H new ATOM 0 HH2 TRP A 894 -13.654 4.244 0.091 1.00 0.00 H new ATOM 667 N PRO A 895 -8.449 1.004 -7.125 1.00 0.00 N ATOM 668 CA PRO A 895 -8.631 0.210 -8.358 1.00 0.00 C ATOM 669 C PRO A 895 -7.565 -0.876 -8.546 1.00 0.00 C ATOM 670 O PRO A 895 -7.796 -1.865 -9.241 1.00 0.00 O ATOM 671 CB PRO A 895 -8.506 1.254 -9.481 1.00 0.00 C ATOM 672 CG PRO A 895 -7.764 2.379 -8.858 1.00 0.00 C ATOM 673 CD PRO A 895 -8.271 2.439 -7.459 1.00 0.00 C ATOM 0 HA PRO A 895 -9.580 -0.326 -8.339 1.00 0.00 H new ATOM 0 HB2 PRO A 895 -7.969 0.851 -10.340 1.00 0.00 H new ATOM 0 HB3 PRO A 895 -9.485 1.573 -9.838 1.00 0.00 H new ATOM 0 HG2 PRO A 895 -6.688 2.205 -8.882 1.00 0.00 H new ATOM 0 HG3 PRO A 895 -7.947 3.315 -9.386 1.00 0.00 H new ATOM 0 HD2 PRO A 895 -7.562 2.927 -6.790 1.00 0.00 H new ATOM 0 HD3 PRO A 895 -9.208 2.992 -7.389 1.00 0.00 H new ATOM 681 N CYS A 896 -6.434 -0.727 -7.880 1.00 0.00 N ATOM 682 CA CYS A 896 -5.335 -1.640 -8.061 1.00 0.00 C ATOM 683 C CYS A 896 -5.531 -2.919 -7.262 1.00 0.00 C ATOM 684 O CYS A 896 -5.034 -3.990 -7.637 1.00 0.00 O ATOM 685 CB CYS A 896 -4.051 -0.938 -7.667 1.00 0.00 C ATOM 686 SG CYS A 896 -3.784 0.596 -8.590 1.00 0.00 S ATOM 0 H CYS A 896 -6.259 0.021 -7.209 1.00 0.00 H new ATOM 0 HA CYS A 896 -5.284 -1.935 -9.109 1.00 0.00 H new ATOM 0 HB2 CYS A 896 -4.075 -0.716 -6.600 1.00 0.00 H new ATOM 0 HB3 CYS A 896 -3.209 -1.609 -7.834 1.00 0.00 H new ATOM 0 HG CYS A 896 -2.509 0.790 -8.750 1.00 0.00 H new ATOM 691 N VAL A 897 -6.281 -2.818 -6.200 1.00 0.00 N ATOM 692 CA VAL A 897 -6.508 -3.939 -5.319 1.00 0.00 C ATOM 693 C VAL A 897 -7.966 -4.381 -5.344 1.00 0.00 C ATOM 694 O VAL A 897 -8.389 -5.254 -4.565 1.00 0.00 O ATOM 695 CB VAL A 897 -6.028 -3.633 -3.875 1.00 0.00 C ATOM 696 CG1 VAL A 897 -4.508 -3.617 -3.838 1.00 0.00 C ATOM 697 CG2 VAL A 897 -6.549 -2.286 -3.418 1.00 0.00 C ATOM 0 H VAL A 897 -6.753 -1.959 -5.918 1.00 0.00 H new ATOM 0 HA VAL A 897 -5.910 -4.772 -5.689 1.00 0.00 H new ATOM 0 HB VAL A 897 -6.410 -4.407 -3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 897 -4.171 -3.402 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 897 -4.126 -4.589 -4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 897 -4.136 -2.848 -4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 897 -6.203 -2.087 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 897 -6.180 -1.508 -4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 897 -7.639 -2.293 -3.435 1.00 0.00 H new ATOM 707 N GLY A 898 -8.715 -3.796 -6.270 1.00 0.00 N ATOM 708 CA GLY A 898 -10.102 -4.155 -6.459 1.00 0.00 C ATOM 709 C GLY A 898 -10.993 -3.640 -5.354 1.00 0.00 C ATOM 710 O GLY A 898 -11.790 -4.392 -4.773 1.00 0.00 O ATOM 0 H GLY A 898 -8.377 -3.069 -6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 898 -10.449 -3.759 -7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 898 -10.188 -5.240 -6.513 1.00 0.00 H new ATOM 714 N ILE A 899 -10.854 -2.381 -5.037 1.00 0.00 N ATOM 715 CA ILE A 899 -11.646 -1.773 -4.001 1.00 0.00 C ATOM 716 C ILE A 899 -12.468 -0.627 -4.560 1.00 0.00 C ATOM 717 O ILE A 899 -11.962 0.200 -5.313 1.00 0.00 O ATOM 718 CB ILE A 899 -10.766 -1.297 -2.822 1.00 0.00 C ATOM 719 CG1 ILE A 899 -10.083 -2.505 -2.174 1.00 0.00 C ATOM 720 CG2 ILE A 899 -11.587 -0.520 -1.798 1.00 0.00 C ATOM 721 CD1 ILE A 899 -9.228 -2.170 -0.995 1.00 0.00 C ATOM 0 H ILE A 899 -10.191 -1.750 -5.487 1.00 0.00 H new ATOM 0 HA ILE A 899 -12.329 -2.530 -3.616 1.00 0.00 H new ATOM 0 HB ILE A 899 -10.003 -0.620 -3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 899 -10.848 -3.216 -1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 899 -9.469 -3.005 -2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 899 -10.940 -0.199 -0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 899 -12.031 0.354 -2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 899 -12.378 -1.159 -1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 899 -8.783 -3.082 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 899 -8.438 -1.484 -1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 899 -9.839 -1.699 -0.225 1.00 0.00 H new ATOM 733 N MET A 900 -13.729 -0.603 -4.198 1.00 0.00 N ATOM 734 CA MET A 900 -14.657 0.415 -4.664 1.00 0.00 C ATOM 735 C MET A 900 -15.399 1.072 -3.490 1.00 0.00 C ATOM 736 O MET A 900 -16.197 1.984 -3.676 1.00 0.00 O ATOM 737 CB MET A 900 -15.636 -0.209 -5.665 1.00 0.00 C ATOM 738 CG MET A 900 -16.477 -1.349 -5.098 1.00 0.00 C ATOM 739 SD MET A 900 -17.421 -2.233 -6.364 1.00 0.00 S ATOM 740 CE MET A 900 -16.095 -2.966 -7.343 1.00 0.00 C ATOM 0 H MET A 900 -14.147 -1.289 -3.570 1.00 0.00 H new ATOM 0 HA MET A 900 -14.096 1.204 -5.165 1.00 0.00 H new ATOM 0 HB2 MET A 900 -16.303 0.569 -6.035 1.00 0.00 H new ATOM 0 HB3 MET A 900 -15.073 -0.580 -6.522 1.00 0.00 H new ATOM 0 HG2 MET A 900 -15.824 -2.053 -4.583 1.00 0.00 H new ATOM 0 HG3 MET A 900 -17.165 -0.949 -4.353 1.00 0.00 H new ATOM 0 HE1 MET A 900 -16.476 -3.835 -7.879 1.00 0.00 H new ATOM 0 HE2 MET A 900 -15.723 -2.233 -8.058 1.00 0.00 H new ATOM 0 HE3 MET A 900 -15.284 -3.274 -6.684 1.00 0.00 H new ATOM 750 N ALA A 901 -15.132 0.585 -2.294 1.00 0.00 N ATOM 751 CA ALA A 901 -15.704 1.109 -1.053 1.00 0.00 C ATOM 752 C ALA A 901 -14.887 0.570 0.079 1.00 0.00 C ATOM 753 O ALA A 901 -14.661 -0.622 0.100 1.00 0.00 O ATOM 754 CB ALA A 901 -17.144 0.663 -0.877 1.00 0.00 C ATOM 0 H ALA A 901 -14.500 -0.202 -2.147 1.00 0.00 H new ATOM 0 HA ALA A 901 -15.691 2.199 -1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 901 -17.539 1.069 0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 901 -17.742 1.025 -1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 901 -17.186 -0.426 -0.845 1.00 0.00 H new ATOM 760 N ALA A 902 -14.461 1.460 0.993 1.00 0.00 N ATOM 761 CA ALA A 902 -13.558 1.197 2.146 1.00 0.00 C ATOM 762 C ALA A 902 -13.901 -0.073 2.921 1.00 0.00 C ATOM 763 O ALA A 902 -14.814 -0.091 3.768 1.00 0.00 O ATOM 764 CB ALA A 902 -13.537 2.395 3.077 1.00 0.00 C ATOM 0 H ALA A 902 -14.749 2.438 0.952 1.00 0.00 H new ATOM 0 HA ALA A 902 -12.566 1.034 1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -12.873 2.191 3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -13.179 3.270 2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -14.544 2.585 3.448 1.00 0.00 H new ATOM 770 N PRO A 903 -13.214 -1.153 2.593 1.00 0.00 N ATOM 771 CA PRO A 903 -13.446 -2.452 3.174 1.00 0.00 C ATOM 772 C PRO A 903 -12.297 -3.033 4.047 1.00 0.00 C ATOM 773 O PRO A 903 -11.115 -2.625 3.958 1.00 0.00 O ATOM 774 CB PRO A 903 -13.476 -3.276 1.901 1.00 0.00 C ATOM 775 CG PRO A 903 -12.312 -2.712 1.114 1.00 0.00 C ATOM 776 CD PRO A 903 -12.242 -1.234 1.502 1.00 0.00 C ATOM 0 HA PRO A 903 -14.308 -2.437 3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -13.351 -4.340 2.104 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -14.419 -3.162 1.367 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -11.384 -3.228 1.360 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -12.468 -2.830 0.042 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -11.242 -0.945 1.826 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -12.509 -0.582 0.670 1.00 0.00 H new ATOM 845 N GLN A 908 -7.746 -8.120 8.942 1.00 0.00 N ATOM 846 CA GLN A 908 -6.829 -7.034 8.616 1.00 0.00 C ATOM 847 C GLN A 908 -6.468 -7.052 7.134 1.00 0.00 C ATOM 848 O GLN A 908 -6.430 -8.116 6.495 1.00 0.00 O ATOM 849 CB GLN A 908 -5.546 -7.207 9.404 1.00 0.00 C ATOM 850 CG GLN A 908 -5.689 -7.164 10.905 1.00 0.00 C ATOM 851 CD GLN A 908 -4.395 -7.552 11.573 1.00 0.00 C ATOM 852 OE1 GLN A 908 -4.163 -8.723 11.868 1.00 0.00 O ATOM 853 NE2 GLN A 908 -3.535 -6.606 11.788 1.00 0.00 N ATOM 0 HA GLN A 908 -7.320 -6.093 8.863 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -5.097 -8.161 9.127 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -4.848 -6.427 9.102 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -5.980 -6.162 11.219 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -6.484 -7.840 11.219 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -3.759 -5.645 11.531 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -2.634 -6.823 12.214 1.00 0.00 H new ATOM 862 N TRP A 909 -6.153 -5.915 6.624 1.00 0.00 N ATOM 863 CA TRP A 909 -5.876 -5.761 5.230 1.00 0.00 C ATOM 864 C TRP A 909 -4.405 -5.538 5.031 1.00 0.00 C ATOM 865 O TRP A 909 -3.806 -4.622 5.629 1.00 0.00 O ATOM 866 CB TRP A 909 -6.675 -4.596 4.629 1.00 0.00 C ATOM 867 CG TRP A 909 -6.543 -4.476 3.126 1.00 0.00 C ATOM 868 CD1 TRP A 909 -7.367 -5.031 2.196 1.00 0.00 C ATOM 869 CD2 TRP A 909 -5.529 -3.764 2.384 1.00 0.00 C ATOM 870 NE1 TRP A 909 -6.942 -4.706 0.931 1.00 0.00 N ATOM 871 CE2 TRP A 909 -5.817 -3.931 1.019 1.00 0.00 C ATOM 872 CE3 TRP A 909 -4.414 -3.004 2.744 1.00 0.00 C ATOM 873 CZ2 TRP A 909 -5.033 -3.364 0.020 1.00 0.00 C ATOM 874 CZ3 TRP A 909 -3.636 -2.445 1.749 1.00 0.00 C ATOM 875 CH2 TRP A 909 -3.950 -2.627 0.404 1.00 0.00 C ATOM 0 H TRP A 909 -6.078 -5.053 7.164 1.00 0.00 H new ATOM 0 HA TRP A 909 -6.179 -6.673 4.716 1.00 0.00 H new ATOM 0 HB2 TRP A 909 -7.728 -4.720 4.883 1.00 0.00 H new ATOM 0 HB3 TRP A 909 -6.344 -3.665 5.089 1.00 0.00 H new ATOM 0 HD1 TRP A 909 -8.231 -5.639 2.420 1.00 0.00 H new ATOM 0 HE1 TRP A 909 -7.393 -4.996 0.063 1.00 0.00 H new ATOM 0 HE3 TRP A 909 -4.164 -2.856 3.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 -5.273 -3.502 -1.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 -2.771 -1.858 2.018 1.00 0.00 H new ATOM 0 HH2 TRP A 909 -3.323 -2.175 -0.351 1.00 0.00 H new ATOM 886 N PHE A 910 -3.823 -6.365 4.229 1.00 0.00 N ATOM 887 CA PHE A 910 -2.449 -6.249 3.885 1.00 0.00 C ATOM 888 C PHE A 910 -2.366 -6.080 2.399 1.00 0.00 C ATOM 889 O PHE A 910 -3.215 -6.619 1.651 1.00 0.00 O ATOM 890 CB PHE A 910 -1.664 -7.479 4.360 1.00 0.00 C ATOM 891 CG PHE A 910 -1.817 -7.706 5.832 1.00 0.00 C ATOM 892 CD1 PHE A 910 -1.104 -6.946 6.736 1.00 0.00 C ATOM 893 CD2 PHE A 910 -2.718 -8.642 6.310 1.00 0.00 C ATOM 894 CE1 PHE A 910 -1.279 -7.119 8.089 1.00 0.00 C ATOM 895 CE2 PHE A 910 -2.905 -8.809 7.659 1.00 0.00 C ATOM 896 CZ PHE A 910 -2.183 -8.049 8.550 1.00 0.00 C ATOM 0 H PHE A 910 -4.298 -7.153 3.788 1.00 0.00 H new ATOM 0 HA PHE A 910 -2.001 -5.386 4.378 1.00 0.00 H new ATOM 0 HB2 PHE A 910 -2.009 -8.360 3.819 1.00 0.00 H new ATOM 0 HB3 PHE A 910 -0.608 -7.351 4.120 1.00 0.00 H new ATOM 0 HD1 PHE A 910 -0.402 -6.208 6.378 1.00 0.00 H new ATOM 0 HD2 PHE A 910 -3.280 -9.247 5.614 1.00 0.00 H new ATOM 0 HE1 PHE A 910 -0.708 -6.526 8.789 1.00 0.00 H new ATOM 0 HE2 PHE A 910 -3.618 -9.536 8.021 1.00 0.00 H new ATOM 0 HZ PHE A 910 -2.326 -8.182 9.612 1.00 0.00 H new ATOM 906 N CYS A 911 -1.406 -5.318 1.966 1.00 0.00 N ATOM 907 CA CYS A 911 -1.232 -5.020 0.577 1.00 0.00 C ATOM 908 C CYS A 911 -0.854 -6.275 -0.202 1.00 0.00 C ATOM 909 O CYS A 911 -0.458 -7.259 0.395 1.00 0.00 O ATOM 910 CB CYS A 911 -0.153 -3.963 0.459 1.00 0.00 C ATOM 911 SG CYS A 911 1.480 -4.402 1.112 1.00 0.00 S ATOM 0 H CYS A 911 -0.714 -4.881 2.575 1.00 0.00 H new ATOM 0 HA CYS A 911 -2.165 -4.649 0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 911 -0.042 -3.705 -0.594 1.00 0.00 H new ATOM 0 HB3 CYS A 911 -0.496 -3.065 0.973 1.00 0.00 H new ATOM 0 HG CYS A 911 1.445 -4.389 2.411 1.00 0.00 H new ATOM 916 N PRO A 912 -0.975 -6.271 -1.546 1.00 0.00 N ATOM 917 CA PRO A 912 -0.573 -7.411 -2.383 1.00 0.00 C ATOM 918 C PRO A 912 0.883 -7.841 -2.109 1.00 0.00 C ATOM 919 O PRO A 912 1.263 -8.993 -2.332 1.00 0.00 O ATOM 920 CB PRO A 912 -0.722 -6.882 -3.821 1.00 0.00 C ATOM 921 CG PRO A 912 -0.919 -5.407 -3.685 1.00 0.00 C ATOM 922 CD PRO A 912 -1.560 -5.196 -2.357 1.00 0.00 C ATOM 0 HA PRO A 912 -1.177 -8.296 -2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 912 0.164 -7.107 -4.416 1.00 0.00 H new ATOM 0 HB3 PRO A 912 -1.570 -7.347 -4.324 1.00 0.00 H new ATOM 0 HG2 PRO A 912 0.033 -4.880 -3.746 1.00 0.00 H new ATOM 0 HG3 PRO A 912 -1.549 -5.022 -4.487 1.00 0.00 H new ATOM 0 HD2 PRO A 912 -1.333 -4.211 -1.949 1.00 0.00 H new ATOM 0 HD3 PRO A 912 -2.646 -5.275 -2.413 1.00 0.00 H new ATOM 930 N LYS A 913 1.676 -6.914 -1.597 1.00 0.00 N ATOM 931 CA LYS A 913 3.042 -7.180 -1.237 1.00 0.00 C ATOM 932 C LYS A 913 3.117 -7.904 0.124 1.00 0.00 C ATOM 933 O LYS A 913 3.747 -8.960 0.232 1.00 0.00 O ATOM 934 CB LYS A 913 3.860 -5.877 -1.223 1.00 0.00 C ATOM 935 CG LYS A 913 4.172 -5.291 -2.605 1.00 0.00 C ATOM 936 CD LYS A 913 5.216 -6.126 -3.323 1.00 0.00 C ATOM 937 CE LYS A 913 5.704 -5.472 -4.612 1.00 0.00 C ATOM 938 NZ LYS A 913 4.673 -5.406 -5.677 1.00 0.00 N ATOM 0 H LYS A 913 1.380 -5.954 -1.422 1.00 0.00 H new ATOM 0 HA LYS A 913 3.476 -7.840 -1.988 1.00 0.00 H new ATOM 0 HB2 LYS A 913 3.316 -5.131 -0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 913 4.800 -6.062 -0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 913 3.260 -5.250 -3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 913 4.530 -4.267 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 913 6.065 -6.290 -2.659 1.00 0.00 H new ATOM 0 HD3 LYS A 913 4.797 -7.106 -3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 913 6.048 -4.462 -4.389 1.00 0.00 H new ATOM 0 HE3 LYS A 913 6.565 -6.026 -4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 5.133 -5.447 -6.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 4.020 -6.209 -5.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 4.142 -4.516 -5.592 1.00 0.00 H new ATOM 952 N CYS A 914 2.454 -7.377 1.143 1.00 0.00 N ATOM 953 CA CYS A 914 2.514 -7.991 2.461 1.00 0.00 C ATOM 954 C CYS A 914 1.551 -9.157 2.668 1.00 0.00 C ATOM 955 O CYS A 914 1.819 -10.038 3.478 1.00 0.00 O ATOM 956 CB CYS A 914 2.398 -6.958 3.565 1.00 0.00 C ATOM 957 SG CYS A 914 3.794 -5.815 3.628 1.00 0.00 S ATOM 0 H CYS A 914 1.876 -6.538 1.085 1.00 0.00 H new ATOM 0 HA CYS A 914 3.506 -8.440 2.517 1.00 0.00 H new ATOM 0 HB2 CYS A 914 1.479 -6.389 3.425 1.00 0.00 H new ATOM 0 HB3 CYS A 914 2.314 -7.470 4.524 1.00 0.00 H new ATOM 0 HG CYS A 914 3.362 -4.595 3.502 1.00 0.00 H new ATOM 962 N ALA A 915 0.469 -9.191 1.932 1.00 0.00 N ATOM 963 CA ALA A 915 -0.476 -10.297 2.029 1.00 0.00 C ATOM 964 C ALA A 915 0.165 -11.563 1.502 1.00 0.00 C ATOM 965 O ALA A 915 -0.200 -12.672 1.894 1.00 0.00 O ATOM 966 CB ALA A 915 -1.754 -9.994 1.279 1.00 0.00 C ATOM 0 H ALA A 915 0.212 -8.471 1.257 1.00 0.00 H new ATOM 0 HA ALA A 915 -0.737 -10.438 3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 915 -2.438 -10.838 1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 915 -2.220 -9.102 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 915 -1.527 -9.823 0.227 1.00 0.00 H new ATOM 972 N ASN A 916 1.165 -11.382 0.653 1.00 0.00 N ATOM 973 CA ASN A 916 1.919 -12.488 0.097 1.00 0.00 C ATOM 974 C ASN A 916 2.855 -13.053 1.172 1.00 0.00 C ATOM 975 O ASN A 916 3.346 -14.166 1.067 1.00 0.00 O ATOM 976 CB ASN A 916 2.735 -12.022 -1.125 1.00 0.00 C ATOM 977 CG ASN A 916 3.364 -13.167 -1.925 1.00 0.00 C ATOM 978 OD1 ASN A 916 2.670 -14.269 -2.045 1.00 0.00 O flip ATOM 979 ND2 ASN A 916 4.457 -13.028 -2.481 1.00 0.00 N flip ATOM 0 H ASN A 916 1.474 -10.464 0.332 1.00 0.00 H new ATOM 0 HA ASN A 916 1.228 -13.265 -0.229 1.00 0.00 H new ATOM 0 HB2 ASN A 916 2.086 -11.445 -1.784 1.00 0.00 H new ATOM 0 HB3 ASN A 916 3.525 -11.351 -0.788 1.00 0.00 H new ATOM 0 HD21 ASN A 916 4.978 -12.158 -2.371 1.00 0.00 H new ATOM 0 HD22 ASN A 916 4.839 -13.783 -3.050 1.00 0.00 H new ATOM 986 N LYS A 917 3.123 -12.255 2.201 1.00 0.00 N ATOM 987 CA LYS A 917 3.927 -12.702 3.316 1.00 0.00 C ATOM 988 C LYS A 917 3.035 -13.407 4.327 1.00 0.00 C ATOM 989 O LYS A 917 3.477 -14.307 5.031 1.00 0.00 O ATOM 990 CB LYS A 917 4.646 -11.530 3.983 1.00 0.00 C ATOM 991 CG LYS A 917 5.512 -10.718 3.038 1.00 0.00 C ATOM 992 CD LYS A 917 6.332 -9.664 3.772 1.00 0.00 C ATOM 993 CE LYS A 917 5.470 -8.677 4.552 1.00 0.00 C ATOM 994 NZ LYS A 917 6.265 -7.624 5.202 1.00 0.00 N ATOM 0 H LYS A 917 2.791 -11.294 2.279 1.00 0.00 H new ATOM 0 HA LYS A 917 4.684 -13.392 2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 917 3.904 -10.872 4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 917 5.269 -11.912 4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 917 6.182 -11.386 2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 917 4.879 -10.232 2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 917 7.020 -10.159 4.458 1.00 0.00 H new ATOM 0 HD3 LYS A 917 6.940 -9.117 3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 917 4.748 -8.218 3.877 1.00 0.00 H new ATOM 0 HE3 LYS A 917 4.900 -9.217 5.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 5.705 -7.184 5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 7.128 -8.040 5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 6.526 -6.902 4.500 1.00 0.00 H new ATOM 1008 N ILE A 918 1.780 -12.972 4.389 1.00 0.00 N ATOM 1009 CA ILE A 918 0.767 -13.582 5.252 1.00 0.00 C ATOM 1010 C ILE A 918 0.443 -14.975 4.720 1.00 0.00 C ATOM 1011 O ILE A 918 0.659 -15.984 5.395 1.00 0.00 O ATOM 1012 CB ILE A 918 -0.537 -12.729 5.268 1.00 0.00 C ATOM 1013 CG1 ILE A 918 -0.251 -11.292 5.733 1.00 0.00 C ATOM 1014 CG2 ILE A 918 -1.621 -13.376 6.140 1.00 0.00 C ATOM 1015 CD1 ILE A 918 0.253 -11.174 7.158 1.00 0.00 C ATOM 0 H ILE A 918 1.433 -12.184 3.841 1.00 0.00 H new ATOM 0 HA ILE A 918 1.158 -13.638 6.268 1.00 0.00 H new ATOM 0 HB ILE A 918 -0.913 -12.688 4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 918 0.486 -10.848 5.064 1.00 0.00 H new ATOM 0 HG13 ILE A 918 -1.164 -10.705 5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -2.516 -12.754 6.128 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -1.861 -14.365 5.749 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -1.257 -13.469 7.163 1.00 0.00 H new ATOM 0 HD11 ILE A 918 0.427 -10.125 7.397 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -0.490 -11.583 7.842 1.00 0.00 H new ATOM 0 HD13 ILE A 918 1.185 -11.729 7.261 1.00 0.00 H new