USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=13 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 -155:sc= 0.948 USER MOD Set 1.2: A 873 CYS SG : rot -74:sc= -0.393 USER MOD Set 1.3: A 882 MET CE :methyl 172:sc= -0.682 (180deg=-0.847) USER MOD Set 1.4: A 893 HIS : +bothHN:sc= -0.315 K(o=-3.9,f=-5.6) USER MOD Set 1.5: A 896 CYS SG : rot -146:sc= -3.45! USER MOD Set 2.1: A 885 CYS SG : rot -172:sc= 1.44 USER MOD Set 2.2: A 888 CYS SG : rot 126:sc= 0.243 USER MOD Set 2.3: A 892 TYR OH : rot 64:sc= 1.11 USER MOD Set 2.4: A 911 CYS SG : rot -79:sc= 1.17 USER MOD Set 2.5: A 914 CYS SG : rot 93:sc= 0.922 USER MOD Set 2.6: A 917 LYS NZ :NH3+ 156:sc= 0.855 (180deg=0) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= 0.809 K(o=0.81,f=0) USER MOD Single : A 866 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 874 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.25) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 880 SER OG : rot 180:sc= -0.187 USER MOD Single : A 900 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 908 GLN : amide:sc= -0.725 X(o=-0.72,f=-1.1) USER MOD Single : A 913 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 916 ASN : amide:sc= -0.375 X(o=-0.37,f=0) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 857 9.725 5.403 -5.441 1.00 0.00 N ATOM 93 CA TYR A 857 8.292 5.290 -5.278 1.00 0.00 C ATOM 94 C TYR A 857 7.775 6.509 -4.524 1.00 0.00 C ATOM 95 O TYR A 857 6.643 6.554 -4.084 1.00 0.00 O ATOM 96 CB TYR A 857 7.916 3.987 -4.545 1.00 0.00 C ATOM 97 CG TYR A 857 8.259 2.713 -5.299 1.00 0.00 C ATOM 98 CD1 TYR A 857 9.490 2.093 -5.138 1.00 0.00 C ATOM 99 CD2 TYR A 857 7.346 2.132 -6.168 1.00 0.00 C ATOM 100 CE1 TYR A 857 9.802 0.935 -5.820 1.00 0.00 C ATOM 101 CE2 TYR A 857 7.648 0.975 -6.854 1.00 0.00 C ATOM 102 CZ TYR A 857 8.879 0.381 -6.678 1.00 0.00 C ATOM 103 OH TYR A 857 9.190 -0.774 -7.352 1.00 0.00 O ATOM 0 HA TYR A 857 7.825 5.252 -6.262 1.00 0.00 H new ATOM 0 HB2 TYR A 857 8.423 3.970 -3.580 1.00 0.00 H new ATOM 0 HB3 TYR A 857 6.845 3.996 -4.342 1.00 0.00 H new ATOM 0 HD1 TYR A 857 10.217 2.525 -4.466 1.00 0.00 H new ATOM 0 HD2 TYR A 857 6.381 2.595 -6.309 1.00 0.00 H new ATOM 0 HE1 TYR A 857 10.765 0.466 -5.682 1.00 0.00 H new ATOM 0 HE2 TYR A 857 6.924 0.537 -7.525 1.00 0.00 H new ATOM 0 HH TYR A 857 8.433 -1.037 -7.917 1.00 0.00 H new ATOM 113 N VAL A 858 8.625 7.504 -4.401 1.00 0.00 N ATOM 114 CA VAL A 858 8.279 8.730 -3.710 1.00 0.00 C ATOM 115 C VAL A 858 8.489 9.907 -4.647 1.00 0.00 C ATOM 116 O VAL A 858 9.552 10.026 -5.272 1.00 0.00 O ATOM 117 CB VAL A 858 9.132 8.944 -2.418 1.00 0.00 C ATOM 118 CG1 VAL A 858 8.698 10.202 -1.665 1.00 0.00 C ATOM 119 CG2 VAL A 858 9.056 7.732 -1.505 1.00 0.00 C ATOM 0 H VAL A 858 9.574 7.488 -4.775 1.00 0.00 H new ATOM 0 HA VAL A 858 7.234 8.656 -3.408 1.00 0.00 H new ATOM 0 HB VAL A 858 10.167 9.076 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 858 9.311 10.321 -0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 858 8.822 11.073 -2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 858 7.651 10.110 -1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 858 9.659 7.909 -0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 858 8.020 7.560 -1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 858 9.435 6.856 -2.031 1.00 0.00 H new ATOM 129 N ILE A 859 7.473 10.719 -4.766 1.00 0.00 N ATOM 130 CA ILE A 859 7.476 11.934 -5.569 1.00 0.00 C ATOM 131 C ILE A 859 7.042 13.074 -4.628 1.00 0.00 C ATOM 132 O ILE A 859 6.601 12.802 -3.526 1.00 0.00 O ATOM 133 CB ILE A 859 6.474 11.798 -6.798 1.00 0.00 C ATOM 134 CG1 ILE A 859 6.894 10.624 -7.690 1.00 0.00 C ATOM 135 CG2 ILE A 859 6.363 13.084 -7.632 1.00 0.00 C ATOM 136 CD1 ILE A 859 6.050 10.454 -8.947 1.00 0.00 C ATOM 0 H ILE A 859 6.584 10.556 -4.293 1.00 0.00 H new ATOM 0 HA ILE A 859 8.462 12.128 -5.990 1.00 0.00 H new ATOM 0 HB ILE A 859 5.485 11.612 -6.379 1.00 0.00 H new ATOM 0 HG12 ILE A 859 7.935 10.760 -7.982 1.00 0.00 H new ATOM 0 HG13 ILE A 859 6.844 9.705 -7.107 1.00 0.00 H new ATOM 0 HG21 ILE A 859 5.665 12.925 -8.454 1.00 0.00 H new ATOM 0 HG22 ILE A 859 6.002 13.897 -7.001 1.00 0.00 H new ATOM 0 HG23 ILE A 859 7.343 13.343 -8.033 1.00 0.00 H new ATOM 0 HD11 ILE A 859 6.416 9.601 -9.519 1.00 0.00 H new ATOM 0 HD12 ILE A 859 5.010 10.284 -8.667 1.00 0.00 H new ATOM 0 HD13 ILE A 859 6.119 11.355 -9.556 1.00 0.00 H new ATOM 148 N ARG A 860 7.222 14.305 -5.010 1.00 0.00 N ATOM 149 CA ARG A 860 6.750 15.423 -4.242 1.00 0.00 C ATOM 150 C ARG A 860 5.727 16.137 -5.081 1.00 0.00 C ATOM 151 O ARG A 860 5.885 16.227 -6.304 1.00 0.00 O ATOM 152 CB ARG A 860 7.899 16.368 -3.893 1.00 0.00 C ATOM 153 CG ARG A 860 9.003 15.708 -3.097 1.00 0.00 C ATOM 154 CD ARG A 860 10.158 16.649 -2.852 1.00 0.00 C ATOM 155 NE ARG A 860 11.244 15.968 -2.144 1.00 0.00 N ATOM 156 CZ ARG A 860 12.542 16.272 -2.245 1.00 0.00 C ATOM 157 NH1 ARG A 860 12.936 17.345 -2.932 1.00 0.00 N ATOM 158 NH2 ARG A 860 13.443 15.520 -1.625 1.00 0.00 N ATOM 0 H ARG A 860 7.704 14.565 -5.870 1.00 0.00 H new ATOM 0 HA ARG A 860 6.315 15.081 -3.303 1.00 0.00 H new ATOM 0 HB2 ARG A 860 8.318 16.773 -4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 860 7.506 17.211 -3.324 1.00 0.00 H new ATOM 0 HG2 ARG A 860 8.606 15.363 -2.142 1.00 0.00 H new ATOM 0 HG3 ARG A 860 9.359 14.827 -3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 860 10.525 17.037 -3.802 1.00 0.00 H new ATOM 0 HD3 ARG A 860 9.818 17.505 -2.269 1.00 0.00 H new ATOM 0 HE ARG A 860 10.990 15.199 -1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 860 12.245 17.942 -3.386 1.00 0.00 H new ATOM 0 HH12 ARG A 860 13.929 17.569 -3.003 1.00 0.00 H new ATOM 0 HH21 ARG A 860 13.144 14.715 -1.075 1.00 0.00 H new ATOM 0 HH22 ARG A 860 14.435 15.747 -1.699 1.00 0.00 H new ATOM 172 N ASP A 861 4.674 16.598 -4.469 1.00 0.00 N ATOM 173 CA ASP A 861 3.619 17.283 -5.216 1.00 0.00 C ATOM 174 C ASP A 861 4.016 18.742 -5.475 1.00 0.00 C ATOM 175 O ASP A 861 5.183 19.131 -5.284 1.00 0.00 O ATOM 176 CB ASP A 861 2.236 17.211 -4.494 1.00 0.00 C ATOM 177 CG ASP A 861 1.990 18.296 -3.475 1.00 0.00 C ATOM 178 OD1 ASP A 861 2.623 18.320 -2.442 1.00 0.00 O ATOM 179 OD2 ASP A 861 1.193 19.189 -3.760 1.00 0.00 O ATOM 0 H ASP A 861 4.509 16.521 -3.465 1.00 0.00 H new ATOM 0 HA ASP A 861 3.507 16.765 -6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 861 1.448 17.255 -5.246 1.00 0.00 H new ATOM 0 HB3 ASP A 861 2.151 16.243 -3.999 1.00 0.00 H new ATOM 184 N GLU A 862 3.067 19.522 -5.916 1.00 0.00 N ATOM 185 CA GLU A 862 3.245 20.924 -6.208 1.00 0.00 C ATOM 186 C GLU A 862 3.555 21.707 -4.932 1.00 0.00 C ATOM 187 O GLU A 862 4.322 22.683 -4.958 1.00 0.00 O ATOM 188 CB GLU A 862 1.965 21.460 -6.844 1.00 0.00 C ATOM 189 CG GLU A 862 1.511 20.664 -8.056 1.00 0.00 C ATOM 190 CD GLU A 862 2.457 20.765 -9.226 1.00 0.00 C ATOM 191 OE1 GLU A 862 3.612 20.332 -9.126 1.00 0.00 O ATOM 192 OE2 GLU A 862 2.044 21.285 -10.273 1.00 0.00 O ATOM 0 H GLU A 862 2.117 19.192 -6.088 1.00 0.00 H new ATOM 0 HA GLU A 862 4.084 21.044 -6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 862 1.170 21.457 -6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 862 2.122 22.498 -7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 862 1.403 19.617 -7.774 1.00 0.00 H new ATOM 0 HG3 GLU A 862 0.526 21.014 -8.363 1.00 0.00 H new ATOM 199 N TRP A 863 2.972 21.278 -3.832 1.00 0.00 N ATOM 200 CA TRP A 863 3.146 21.946 -2.557 1.00 0.00 C ATOM 201 C TRP A 863 4.375 21.433 -1.812 1.00 0.00 C ATOM 202 O TRP A 863 5.040 22.187 -1.094 1.00 0.00 O ATOM 203 CB TRP A 863 1.894 21.805 -1.699 1.00 0.00 C ATOM 204 CG TRP A 863 0.691 22.418 -2.337 1.00 0.00 C ATOM 205 CD1 TRP A 863 -0.380 21.768 -2.862 1.00 0.00 C ATOM 206 CD2 TRP A 863 0.455 23.813 -2.547 1.00 0.00 C ATOM 207 NE1 TRP A 863 -1.276 22.676 -3.366 1.00 0.00 N ATOM 208 CE2 TRP A 863 -0.784 23.937 -3.187 1.00 0.00 C ATOM 209 CE3 TRP A 863 1.174 24.961 -2.247 1.00 0.00 C ATOM 210 CZ2 TRP A 863 -1.322 25.172 -3.534 1.00 0.00 C ATOM 211 CZ3 TRP A 863 0.644 26.189 -2.590 1.00 0.00 C ATOM 212 CH2 TRP A 863 -0.595 26.285 -3.227 1.00 0.00 C ATOM 0 H TRP A 863 2.366 20.459 -3.795 1.00 0.00 H new ATOM 0 HA TRP A 863 3.308 23.004 -2.761 1.00 0.00 H new ATOM 0 HB2 TRP A 863 1.703 20.748 -1.512 1.00 0.00 H new ATOM 0 HB3 TRP A 863 2.066 22.274 -0.730 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -0.507 20.696 -2.880 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -2.168 22.446 -3.805 1.00 0.00 H new ATOM 0 HE3 TRP A 863 2.132 24.895 -1.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -2.279 25.247 -4.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 1.196 27.089 -2.362 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -0.985 27.259 -3.482 1.00 0.00 H new ATOM 223 N GLY A 864 4.674 20.170 -1.972 1.00 0.00 N ATOM 224 CA GLY A 864 5.851 19.612 -1.337 1.00 0.00 C ATOM 225 C GLY A 864 5.541 18.445 -0.430 1.00 0.00 C ATOM 226 O GLY A 864 6.361 18.055 0.404 1.00 0.00 O ATOM 0 H GLY A 864 4.130 19.511 -2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 864 6.553 19.289 -2.106 1.00 0.00 H new ATOM 0 HA3 GLY A 864 6.348 20.391 -0.759 1.00 0.00 H new ATOM 230 N ASN A 865 4.374 17.890 -0.589 1.00 0.00 N ATOM 231 CA ASN A 865 3.964 16.728 0.157 1.00 0.00 C ATOM 232 C ASN A 865 4.519 15.545 -0.554 1.00 0.00 C ATOM 233 O ASN A 865 4.721 15.601 -1.783 1.00 0.00 O ATOM 234 CB ASN A 865 2.429 16.582 0.199 1.00 0.00 C ATOM 235 CG ASN A 865 1.706 17.755 0.819 1.00 0.00 C ATOM 236 OD1 ASN A 865 1.478 17.792 2.030 1.00 0.00 O ATOM 237 ND2 ASN A 865 1.335 18.708 0.011 1.00 0.00 N ATOM 0 H ASN A 865 3.672 18.232 -1.245 1.00 0.00 H new ATOM 0 HA ASN A 865 4.321 16.816 1.183 1.00 0.00 H new ATOM 0 HB2 ASN A 865 2.062 16.441 -0.818 1.00 0.00 H new ATOM 0 HB3 ASN A 865 2.177 15.680 0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 865 0.838 19.521 0.375 1.00 0.00 H new ATOM 0 HD22 ASN A 865 1.542 18.641 -0.986 1.00 0.00 H new ATOM 244 N GLN A 866 4.791 14.496 0.154 1.00 0.00 N ATOM 245 CA GLN A 866 5.278 13.343 -0.465 1.00 0.00 C ATOM 246 C GLN A 866 4.139 12.573 -1.108 1.00 0.00 C ATOM 247 O GLN A 866 3.037 12.456 -0.562 1.00 0.00 O ATOM 248 CB GLN A 866 6.068 12.491 0.508 1.00 0.00 C ATOM 249 CG GLN A 866 5.282 11.949 1.673 1.00 0.00 C ATOM 250 CD GLN A 866 6.151 11.167 2.640 1.00 0.00 C ATOM 251 OE1 GLN A 866 7.356 11.444 2.792 1.00 0.00 O ATOM 252 NE2 GLN A 866 5.570 10.195 3.287 1.00 0.00 N ATOM 0 H GLN A 866 4.678 14.431 1.166 1.00 0.00 H new ATOM 0 HA GLN A 866 5.969 13.634 -1.256 1.00 0.00 H new ATOM 0 HB2 GLN A 866 6.502 11.653 -0.038 1.00 0.00 H new ATOM 0 HB3 GLN A 866 6.897 13.084 0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 866 4.805 12.774 2.202 1.00 0.00 H new ATOM 0 HG3 GLN A 866 4.485 11.305 1.302 1.00 0.00 H new ATOM 0 HE21 GLN A 866 4.581 10.000 3.134 1.00 0.00 H new ATOM 0 HE22 GLN A 866 6.105 9.630 3.946 1.00 0.00 H new ATOM 261 N ILE A 867 4.398 12.151 -2.273 1.00 0.00 N ATOM 262 CA ILE A 867 3.514 11.380 -3.063 1.00 0.00 C ATOM 263 C ILE A 867 3.980 9.963 -3.022 1.00 0.00 C ATOM 264 O ILE A 867 5.164 9.677 -3.252 1.00 0.00 O ATOM 265 CB ILE A 867 3.511 11.842 -4.544 1.00 0.00 C ATOM 266 CG1 ILE A 867 2.887 13.236 -4.710 1.00 0.00 C ATOM 267 CG2 ILE A 867 2.811 10.815 -5.445 1.00 0.00 C ATOM 268 CD1 ILE A 867 1.409 13.289 -4.395 1.00 0.00 C ATOM 0 H ILE A 867 5.285 12.341 -2.739 1.00 0.00 H new ATOM 0 HA ILE A 867 2.506 11.495 -2.666 1.00 0.00 H new ATOM 0 HB ILE A 867 4.552 11.914 -4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 867 3.412 13.937 -4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 867 3.042 13.573 -5.735 1.00 0.00 H new ATOM 0 HG21 ILE A 867 2.825 11.167 -6.477 1.00 0.00 H new ATOM 0 HG22 ILE A 867 3.332 9.860 -5.380 1.00 0.00 H new ATOM 0 HG23 ILE A 867 1.779 10.688 -5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 867 1.043 14.306 -4.536 1.00 0.00 H new ATOM 0 HD12 ILE A 867 0.871 12.614 -5.061 1.00 0.00 H new ATOM 0 HD13 ILE A 867 1.246 12.985 -3.361 1.00 0.00 H new ATOM 280 N TRP A 868 3.082 9.117 -2.732 1.00 0.00 N ATOM 281 CA TRP A 868 3.319 7.729 -2.704 1.00 0.00 C ATOM 282 C TRP A 868 2.990 7.098 -4.040 1.00 0.00 C ATOM 283 O TRP A 868 2.057 7.524 -4.746 1.00 0.00 O ATOM 284 CB TRP A 868 2.508 7.085 -1.596 1.00 0.00 C ATOM 285 CG TRP A 868 1.161 7.710 -1.367 1.00 0.00 C ATOM 286 CD1 TRP A 868 0.011 7.414 -1.998 1.00 0.00 C ATOM 287 CD2 TRP A 868 0.842 8.749 -0.434 1.00 0.00 C ATOM 288 NE1 TRP A 868 -1.016 8.191 -1.518 1.00 0.00 N ATOM 289 CE2 TRP A 868 -0.529 9.017 -0.556 1.00 0.00 C ATOM 290 CE3 TRP A 868 1.587 9.471 0.491 1.00 0.00 C ATOM 291 CZ2 TRP A 868 -1.171 9.974 0.213 1.00 0.00 C ATOM 292 CZ3 TRP A 868 0.950 10.425 1.256 1.00 0.00 C ATOM 293 CH2 TRP A 868 -0.418 10.665 1.113 1.00 0.00 C ATOM 0 H TRP A 868 2.124 9.376 -2.498 1.00 0.00 H new ATOM 0 HA TRP A 868 4.378 7.563 -2.506 1.00 0.00 H new ATOM 0 HB2 TRP A 868 2.370 6.029 -1.830 1.00 0.00 H new ATOM 0 HB3 TRP A 868 3.080 7.134 -0.669 1.00 0.00 H new ATOM 0 HD1 TRP A 868 -0.091 6.670 -2.774 1.00 0.00 H new ATOM 0 HE1 TRP A 868 -1.985 8.153 -1.833 1.00 0.00 H new ATOM 0 HE3 TRP A 868 2.645 9.288 0.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 -2.228 10.165 0.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 1.518 10.995 1.977 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -0.890 11.416 1.730 1.00 0.00 H new ATOM 304 N ILE A 869 3.782 6.146 -4.405 1.00 0.00 N ATOM 305 CA ILE A 869 3.586 5.372 -5.587 1.00 0.00 C ATOM 306 C ILE A 869 3.218 3.952 -5.196 1.00 0.00 C ATOM 307 O ILE A 869 3.955 3.300 -4.459 1.00 0.00 O ATOM 308 CB ILE A 869 4.849 5.386 -6.503 1.00 0.00 C ATOM 309 CG1 ILE A 869 5.073 6.790 -7.092 1.00 0.00 C ATOM 310 CG2 ILE A 869 4.759 4.343 -7.597 1.00 0.00 C ATOM 311 CD1 ILE A 869 6.219 6.891 -8.075 1.00 0.00 C ATOM 0 H ILE A 869 4.609 5.876 -3.873 1.00 0.00 H new ATOM 0 HA ILE A 869 2.773 5.815 -6.163 1.00 0.00 H new ATOM 0 HB ILE A 869 5.710 5.131 -5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 869 4.157 7.110 -7.589 1.00 0.00 H new ATOM 0 HG13 ILE A 869 5.252 7.487 -6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 869 5.657 4.384 -8.214 1.00 0.00 H new ATOM 0 HG22 ILE A 869 4.671 3.353 -7.150 1.00 0.00 H new ATOM 0 HG23 ILE A 869 3.884 4.540 -8.217 1.00 0.00 H new ATOM 0 HD11 ILE A 869 6.299 7.916 -8.436 1.00 0.00 H new ATOM 0 HD12 ILE A 869 7.148 6.606 -7.581 1.00 0.00 H new ATOM 0 HD13 ILE A 869 6.036 6.223 -8.917 1.00 0.00 H new ATOM 323 N CYS A 870 2.072 3.512 -5.680 1.00 0.00 N ATOM 324 CA CYS A 870 1.526 2.213 -5.431 1.00 0.00 C ATOM 325 C CYS A 870 2.441 1.161 -6.070 1.00 0.00 C ATOM 326 O CYS A 870 2.551 1.095 -7.289 1.00 0.00 O ATOM 327 CB CYS A 870 0.112 2.186 -6.068 1.00 0.00 C ATOM 328 SG CYS A 870 -0.875 0.658 -5.939 1.00 0.00 S ATOM 0 H CYS A 870 1.479 4.083 -6.282 1.00 0.00 H new ATOM 0 HA CYS A 870 1.455 1.995 -4.365 1.00 0.00 H new ATOM 0 HB2 CYS A 870 -0.468 2.993 -5.621 1.00 0.00 H new ATOM 0 HB3 CYS A 870 0.221 2.421 -7.127 1.00 0.00 H new ATOM 0 HG CYS A 870 -1.728 0.608 -6.919 1.00 0.00 H new ATOM 333 N PRO A 871 3.114 0.339 -5.252 1.00 0.00 N ATOM 334 CA PRO A 871 4.029 -0.720 -5.725 1.00 0.00 C ATOM 335 C PRO A 871 3.316 -1.807 -6.540 1.00 0.00 C ATOM 336 O PRO A 871 3.957 -2.725 -7.072 1.00 0.00 O ATOM 337 CB PRO A 871 4.589 -1.334 -4.436 1.00 0.00 C ATOM 338 CG PRO A 871 4.308 -0.337 -3.370 1.00 0.00 C ATOM 339 CD PRO A 871 3.075 0.405 -3.794 1.00 0.00 C ATOM 0 HA PRO A 871 4.788 -0.306 -6.389 1.00 0.00 H new ATOM 0 HB2 PRO A 871 4.112 -2.289 -4.216 1.00 0.00 H new ATOM 0 HB3 PRO A 871 5.659 -1.524 -4.524 1.00 0.00 H new ATOM 0 HG2 PRO A 871 4.153 -0.829 -2.410 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.148 0.346 -3.247 1.00 0.00 H new ATOM 0 HD2 PRO A 871 2.172 -0.059 -3.396 1.00 0.00 H new ATOM 0 HD3 PRO A 871 3.086 1.436 -3.440 1.00 0.00 H new ATOM 347 N GLY A 872 2.007 -1.719 -6.620 1.00 0.00 N ATOM 348 CA GLY A 872 1.247 -2.664 -7.381 1.00 0.00 C ATOM 349 C GLY A 872 1.335 -2.394 -8.873 1.00 0.00 C ATOM 350 O GLY A 872 1.464 -3.329 -9.664 1.00 0.00 O ATOM 0 H GLY A 872 1.452 -0.996 -6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 872 1.608 -3.671 -7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 872 0.204 -2.628 -7.067 1.00 0.00 H new ATOM 354 N CYS A 873 1.316 -1.122 -9.242 1.00 0.00 N ATOM 355 CA CYS A 873 1.288 -0.706 -10.637 1.00 0.00 C ATOM 356 C CYS A 873 2.448 0.239 -10.968 1.00 0.00 C ATOM 357 O CYS A 873 2.673 0.586 -12.141 1.00 0.00 O ATOM 358 CB CYS A 873 0.017 0.074 -10.784 1.00 0.00 C ATOM 359 SG CYS A 873 -0.098 1.358 -9.507 1.00 0.00 S ATOM 0 H CYS A 873 1.320 -0.346 -8.580 1.00 0.00 H new ATOM 0 HA CYS A 873 1.361 -1.573 -11.293 1.00 0.00 H new ATOM 0 HB2 CYS A 873 -0.022 0.532 -11.772 1.00 0.00 H new ATOM 0 HB3 CYS A 873 -0.838 -0.597 -10.710 1.00 0.00 H new ATOM 0 HG CYS A 873 -0.383 0.809 -8.364 1.00 0.00 H new ATOM 364 N ASN A 874 3.128 0.678 -9.915 1.00 0.00 N ATOM 365 CA ASN A 874 4.172 1.705 -9.931 1.00 0.00 C ATOM 366 C ASN A 874 3.656 3.046 -10.446 1.00 0.00 C ATOM 367 O ASN A 874 4.395 3.855 -11.028 1.00 0.00 O ATOM 368 CB ASN A 874 5.562 1.288 -10.522 1.00 0.00 C ATOM 369 CG ASN A 874 5.602 0.896 -11.985 1.00 0.00 C ATOM 370 OD1 ASN A 874 5.780 1.735 -12.868 1.00 0.00 O ATOM 371 ND2 ASN A 874 5.508 -0.371 -12.249 1.00 0.00 N ATOM 0 H ASN A 874 2.960 0.311 -8.978 1.00 0.00 H new ATOM 0 HA ASN A 874 4.417 1.838 -8.877 1.00 0.00 H new ATOM 0 HB2 ASN A 874 6.254 2.117 -10.375 1.00 0.00 H new ATOM 0 HB3 ASN A 874 5.940 0.450 -9.937 1.00 0.00 H new ATOM 0 HD21 ASN A 874 5.582 -0.698 -13.212 1.00 0.00 H new ATOM 0 HD22 ASN A 874 5.360 -1.040 -11.493 1.00 0.00 H new ATOM 378 N LYS A 875 2.389 3.307 -10.165 1.00 0.00 N ATOM 379 CA LYS A 875 1.772 4.585 -10.463 1.00 0.00 C ATOM 380 C LYS A 875 1.633 5.416 -9.179 1.00 0.00 C ATOM 381 O LYS A 875 1.308 4.879 -8.112 1.00 0.00 O ATOM 382 CB LYS A 875 0.394 4.403 -11.080 1.00 0.00 C ATOM 383 CG LYS A 875 0.374 3.690 -12.409 1.00 0.00 C ATOM 384 CD LYS A 875 -1.056 3.470 -12.858 1.00 0.00 C ATOM 385 CE LYS A 875 -1.133 2.783 -14.201 1.00 0.00 C ATOM 386 NZ LYS A 875 -2.532 2.595 -14.633 1.00 0.00 N ATOM 0 H LYS A 875 1.761 2.636 -9.723 1.00 0.00 H new ATOM 0 HA LYS A 875 2.413 5.101 -11.177 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -0.230 3.849 -10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -0.063 5.385 -11.206 1.00 0.00 H new ATOM 0 HG2 LYS A 875 0.911 4.277 -13.154 1.00 0.00 H new ATOM 0 HG3 LYS A 875 0.889 2.733 -12.325 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -1.580 2.870 -12.114 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -1.570 4.430 -12.913 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -0.598 3.374 -14.944 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -0.635 1.815 -14.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -2.549 2.121 -15.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -3.035 2.011 -13.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -2.999 3.521 -14.710 1.00 0.00 H new ATOM 400 N PRO A 876 1.905 6.720 -9.261 1.00 0.00 N ATOM 401 CA PRO A 876 1.773 7.650 -8.123 1.00 0.00 C ATOM 402 C PRO A 876 0.326 7.995 -7.770 1.00 0.00 C ATOM 403 O PRO A 876 -0.617 7.629 -8.481 1.00 0.00 O ATOM 404 CB PRO A 876 2.482 8.918 -8.610 1.00 0.00 C ATOM 405 CG PRO A 876 2.436 8.846 -10.099 1.00 0.00 C ATOM 406 CD PRO A 876 2.423 7.390 -10.463 1.00 0.00 C ATOM 0 HA PRO A 876 2.188 7.204 -7.219 1.00 0.00 H new ATOM 0 HB2 PRO A 876 1.981 9.814 -8.244 1.00 0.00 H new ATOM 0 HB3 PRO A 876 3.510 8.957 -8.249 1.00 0.00 H new ATOM 0 HG2 PRO A 876 1.548 9.348 -10.483 1.00 0.00 H new ATOM 0 HG3 PRO A 876 3.300 9.346 -10.537 1.00 0.00 H new ATOM 0 HD2 PRO A 876 1.788 7.202 -11.328 1.00 0.00 H new ATOM 0 HD3 PRO A 876 3.422 7.035 -10.718 1.00 0.00 H new ATOM 414 N ASP A 877 0.171 8.667 -6.660 1.00 0.00 N ATOM 415 CA ASP A 877 -1.107 9.189 -6.214 1.00 0.00 C ATOM 416 C ASP A 877 -1.499 10.420 -7.032 1.00 0.00 C ATOM 417 O ASP A 877 -0.632 11.188 -7.469 1.00 0.00 O ATOM 418 CB ASP A 877 -1.039 9.544 -4.715 1.00 0.00 C ATOM 419 CG ASP A 877 -2.250 10.319 -4.234 1.00 0.00 C ATOM 420 OD1 ASP A 877 -3.401 9.840 -4.403 1.00 0.00 O ATOM 421 OD2 ASP A 877 -2.078 11.426 -3.691 1.00 0.00 O ATOM 0 H ASP A 877 0.941 8.874 -6.024 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.867 8.421 -6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -0.947 8.626 -4.134 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -0.140 10.131 -4.527 1.00 0.00 H new ATOM 426 N ASP A 878 -2.790 10.569 -7.272 1.00 0.00 N ATOM 427 CA ASP A 878 -3.332 11.731 -7.995 1.00 0.00 C ATOM 428 C ASP A 878 -4.227 12.525 -7.062 1.00 0.00 C ATOM 429 O ASP A 878 -4.765 13.588 -7.425 1.00 0.00 O ATOM 430 CB ASP A 878 -4.176 11.305 -9.221 1.00 0.00 C ATOM 431 CG ASP A 878 -3.395 10.615 -10.314 1.00 0.00 C ATOM 432 OD1 ASP A 878 -2.684 11.303 -11.068 1.00 0.00 O ATOM 433 OD2 ASP A 878 -3.492 9.359 -10.448 1.00 0.00 O ATOM 0 H ASP A 878 -3.498 9.897 -6.977 1.00 0.00 H new ATOM 0 HA ASP A 878 -2.488 12.327 -8.341 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -4.971 10.639 -8.885 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -4.657 12.189 -9.639 1.00 0.00 H new ATOM 438 N GLY A 879 -4.348 12.035 -5.851 1.00 0.00 N ATOM 439 CA GLY A 879 -5.283 12.563 -4.896 1.00 0.00 C ATOM 440 C GLY A 879 -6.477 11.662 -4.896 1.00 0.00 C ATOM 441 O GLY A 879 -7.612 12.104 -4.831 1.00 0.00 O ATOM 0 H GLY A 879 -3.794 11.253 -5.502 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -4.835 12.607 -3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -5.570 13.581 -5.161 1.00 0.00 H new ATOM 445 N SER A 880 -6.198 10.389 -4.991 1.00 0.00 N ATOM 446 CA SER A 880 -7.203 9.375 -5.176 1.00 0.00 C ATOM 447 C SER A 880 -7.412 8.579 -3.876 1.00 0.00 C ATOM 448 O SER A 880 -6.617 8.721 -2.935 1.00 0.00 O ATOM 449 CB SER A 880 -6.693 8.462 -6.286 1.00 0.00 C ATOM 450 OG SER A 880 -6.296 9.239 -7.409 1.00 0.00 O ATOM 0 H SER A 880 -5.248 10.021 -4.941 1.00 0.00 H new ATOM 0 HA SER A 880 -8.164 9.816 -5.439 1.00 0.00 H new ATOM 0 HB2 SER A 880 -5.850 7.872 -5.925 1.00 0.00 H new ATOM 0 HB3 SER A 880 -7.473 7.759 -6.577 1.00 0.00 H new ATOM 0 HG SER A 880 -5.968 8.646 -8.117 1.00 0.00 H new ATOM 456 N PRO A 881 -8.479 7.737 -3.783 1.00 0.00 N ATOM 457 CA PRO A 881 -8.682 6.912 -2.621 1.00 0.00 C ATOM 458 C PRO A 881 -7.698 5.777 -2.652 1.00 0.00 C ATOM 459 O PRO A 881 -7.677 4.956 -3.591 1.00 0.00 O ATOM 460 CB PRO A 881 -10.114 6.374 -2.738 1.00 0.00 C ATOM 461 CG PRO A 881 -10.672 6.932 -4.010 1.00 0.00 C ATOM 462 CD PRO A 881 -9.526 7.516 -4.793 1.00 0.00 C ATOM 0 HA PRO A 881 -8.540 7.461 -1.690 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -10.119 5.284 -2.757 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -10.715 6.681 -1.882 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -11.170 6.151 -4.585 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -11.419 7.696 -3.797 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -9.189 6.835 -5.575 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -9.811 8.447 -5.283 1.00 0.00 H new ATOM 470 N MET A 882 -6.839 5.762 -1.707 1.00 0.00 N ATOM 471 CA MET A 882 -5.864 4.750 -1.639 1.00 0.00 C ATOM 472 C MET A 882 -5.996 4.065 -0.325 1.00 0.00 C ATOM 473 O MET A 882 -6.641 4.582 0.586 1.00 0.00 O ATOM 474 CB MET A 882 -4.450 5.305 -1.901 1.00 0.00 C ATOM 475 CG MET A 882 -4.313 5.923 -3.297 1.00 0.00 C ATOM 476 SD MET A 882 -2.648 6.478 -3.724 1.00 0.00 S ATOM 477 CE MET A 882 -1.722 4.945 -3.709 1.00 0.00 C ATOM 0 H MET A 882 -6.793 6.453 -0.958 1.00 0.00 H new ATOM 0 HA MET A 882 -6.025 4.015 -2.428 1.00 0.00 H new ATOM 0 HB2 MET A 882 -4.213 6.058 -1.149 1.00 0.00 H new ATOM 0 HB3 MET A 882 -3.721 4.502 -1.789 1.00 0.00 H new ATOM 0 HG2 MET A 882 -4.636 5.190 -4.036 1.00 0.00 H new ATOM 0 HG3 MET A 882 -4.993 6.772 -3.371 1.00 0.00 H new ATOM 0 HE1 MET A 882 -0.717 5.123 -4.093 1.00 0.00 H new ATOM 0 HE2 MET A 882 -1.659 4.568 -2.688 1.00 0.00 H new ATOM 0 HE3 MET A 882 -2.225 4.210 -4.337 1.00 0.00 H new ATOM 487 N ILE A 883 -5.446 2.916 -0.217 1.00 0.00 N ATOM 488 CA ILE A 883 -5.580 2.153 0.967 1.00 0.00 C ATOM 489 C ILE A 883 -4.218 1.833 1.547 1.00 0.00 C ATOM 490 O ILE A 883 -3.285 1.490 0.814 1.00 0.00 O ATOM 491 CB ILE A 883 -6.449 0.879 0.718 1.00 0.00 C ATOM 492 CG1 ILE A 883 -6.670 0.098 2.016 1.00 0.00 C ATOM 493 CG2 ILE A 883 -5.869 0.001 -0.407 1.00 0.00 C ATOM 494 CD1 ILE A 883 -7.781 -0.921 1.930 1.00 0.00 C ATOM 0 H ILE A 883 -4.888 2.475 -0.948 1.00 0.00 H new ATOM 0 HA ILE A 883 -6.112 2.745 1.712 1.00 0.00 H new ATOM 0 HB ILE A 883 -7.429 1.208 0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 883 -5.744 -0.409 2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 883 -6.895 0.801 2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 883 -6.503 -0.875 -0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 883 -5.830 0.575 -1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 883 -4.863 -0.319 -0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 883 -7.879 -1.434 2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 883 -8.718 -0.418 1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 883 -7.549 -1.647 1.151 1.00 0.00 H new ATOM 506 N GLY A 884 -4.090 2.031 2.831 1.00 0.00 N ATOM 507 CA GLY A 884 -2.853 1.773 3.501 1.00 0.00 C ATOM 508 C GLY A 884 -2.868 0.428 4.166 1.00 0.00 C ATOM 509 O GLY A 884 -3.911 -0.002 4.691 1.00 0.00 O ATOM 0 H GLY A 884 -4.837 2.373 3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 884 -2.032 1.819 2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 884 -2.671 2.548 4.245 1.00 0.00 H new ATOM 513 N CYS A 885 -1.735 -0.231 4.155 1.00 0.00 N ATOM 514 CA CYS A 885 -1.594 -1.538 4.745 1.00 0.00 C ATOM 515 C CYS A 885 -1.625 -1.437 6.268 1.00 0.00 C ATOM 516 O CYS A 885 -1.561 -0.335 6.851 1.00 0.00 O ATOM 517 CB CYS A 885 -0.266 -2.163 4.268 1.00 0.00 C ATOM 518 SG CYS A 885 0.106 -3.851 4.868 1.00 0.00 S ATOM 0 H CYS A 885 -0.879 0.128 3.733 1.00 0.00 H new ATOM 0 HA CYS A 885 -2.423 -2.173 4.433 1.00 0.00 H new ATOM 0 HB2 CYS A 885 -0.270 -2.182 3.178 1.00 0.00 H new ATOM 0 HB3 CYS A 885 0.549 -1.506 4.572 1.00 0.00 H new ATOM 0 HG CYS A 885 1.321 -4.172 4.534 1.00 0.00 H new ATOM 523 N ASP A 886 -1.751 -2.558 6.909 1.00 0.00 N ATOM 524 CA ASP A 886 -1.684 -2.601 8.341 1.00 0.00 C ATOM 525 C ASP A 886 -0.230 -2.691 8.747 1.00 0.00 C ATOM 526 O ASP A 886 0.168 -2.217 9.806 1.00 0.00 O ATOM 527 CB ASP A 886 -2.480 -3.772 8.911 1.00 0.00 C ATOM 528 CG ASP A 886 -2.454 -3.792 10.423 1.00 0.00 C ATOM 529 OD1 ASP A 886 -3.267 -3.077 11.056 1.00 0.00 O ATOM 530 OD2 ASP A 886 -1.622 -4.517 11.017 1.00 0.00 O ATOM 0 H ASP A 886 -1.902 -3.462 6.462 1.00 0.00 H new ATOM 0 HA ASP A 886 -2.132 -1.694 8.747 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -3.512 -3.710 8.567 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -2.072 -4.708 8.529 1.00 0.00 H new ATOM 535 N ASP A 887 0.581 -3.237 7.863 1.00 0.00 N ATOM 536 CA ASP A 887 2.007 -3.343 8.117 1.00 0.00 C ATOM 537 C ASP A 887 2.733 -2.177 7.494 1.00 0.00 C ATOM 538 O ASP A 887 3.538 -1.510 8.145 1.00 0.00 O ATOM 539 CB ASP A 887 2.590 -4.649 7.588 1.00 0.00 C ATOM 540 CG ASP A 887 4.085 -4.750 7.847 1.00 0.00 C ATOM 541 OD1 ASP A 887 4.476 -5.222 8.928 1.00 0.00 O ATOM 542 OD2 ASP A 887 4.897 -4.375 6.978 1.00 0.00 O ATOM 0 H ASP A 887 0.280 -3.614 6.964 1.00 0.00 H new ATOM 0 HA ASP A 887 2.144 -3.331 9.198 1.00 0.00 H new ATOM 0 HB2 ASP A 887 2.082 -5.490 8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 887 2.402 -4.723 6.517 1.00 0.00 H new ATOM 547 N CYS A 888 2.427 -1.899 6.252 1.00 0.00 N ATOM 548 CA CYS A 888 3.069 -0.820 5.561 1.00 0.00 C ATOM 549 C CYS A 888 2.354 0.481 5.902 1.00 0.00 C ATOM 550 O CYS A 888 1.151 0.495 6.138 1.00 0.00 O ATOM 551 CB CYS A 888 3.025 -1.053 4.040 1.00 0.00 C ATOM 552 SG CYS A 888 3.448 -2.740 3.522 1.00 0.00 S ATOM 0 H CYS A 888 1.736 -2.408 5.702 1.00 0.00 H new ATOM 0 HA CYS A 888 4.112 -0.765 5.872 1.00 0.00 H new ATOM 0 HB2 CYS A 888 2.025 -0.816 3.678 1.00 0.00 H new ATOM 0 HB3 CYS A 888 3.711 -0.356 3.559 1.00 0.00 H new ATOM 0 HG CYS A 888 2.492 -3.220 2.783 1.00 0.00 H new ATOM 557 N ASP A 889 3.084 1.538 5.959 1.00 0.00 N ATOM 558 CA ASP A 889 2.504 2.865 6.188 1.00 0.00 C ATOM 559 C ASP A 889 2.417 3.585 4.864 1.00 0.00 C ATOM 560 O ASP A 889 2.234 4.802 4.787 1.00 0.00 O ATOM 561 CB ASP A 889 3.319 3.692 7.208 1.00 0.00 C ATOM 562 CG ASP A 889 4.743 4.002 6.780 1.00 0.00 C ATOM 563 OD1 ASP A 889 4.982 5.016 6.092 1.00 0.00 O ATOM 564 OD2 ASP A 889 5.677 3.246 7.158 1.00 0.00 O ATOM 0 H ASP A 889 4.098 1.535 5.852 1.00 0.00 H new ATOM 0 HA ASP A 889 1.510 2.742 6.617 1.00 0.00 H new ATOM 0 HB2 ASP A 889 2.797 4.631 7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 889 3.348 3.151 8.154 1.00 0.00 H new ATOM 569 N ASP A 890 2.517 2.812 3.821 1.00 0.00 N ATOM 570 CA ASP A 890 2.483 3.328 2.497 1.00 0.00 C ATOM 571 C ASP A 890 1.161 2.926 1.859 1.00 0.00 C ATOM 572 O ASP A 890 0.444 2.070 2.406 1.00 0.00 O ATOM 573 CB ASP A 890 3.684 2.833 1.718 1.00 0.00 C ATOM 574 CG ASP A 890 3.934 3.640 0.487 1.00 0.00 C ATOM 575 OD1 ASP A 890 4.088 4.859 0.603 1.00 0.00 O ATOM 576 OD2 ASP A 890 4.025 3.072 -0.603 1.00 0.00 O ATOM 0 H ASP A 890 2.625 1.799 3.874 1.00 0.00 H new ATOM 0 HA ASP A 890 2.542 4.416 2.499 1.00 0.00 H new ATOM 0 HB2 ASP A 890 4.567 2.866 2.356 1.00 0.00 H new ATOM 0 HB3 ASP A 890 3.530 1.790 1.441 1.00 0.00 H new ATOM 581 N TRP A 891 0.837 3.498 0.726 1.00 0.00 N ATOM 582 CA TRP A 891 -0.494 3.359 0.176 1.00 0.00 C ATOM 583 C TRP A 891 -0.512 2.607 -1.148 1.00 0.00 C ATOM 584 O TRP A 891 0.456 2.629 -1.909 1.00 0.00 O ATOM 585 CB TRP A 891 -1.116 4.746 -0.012 1.00 0.00 C ATOM 586 CG TRP A 891 -1.235 5.557 1.252 1.00 0.00 C ATOM 587 CD1 TRP A 891 -0.242 6.249 1.887 1.00 0.00 C ATOM 588 CD2 TRP A 891 -2.414 5.776 2.013 1.00 0.00 C ATOM 589 NE1 TRP A 891 -0.739 6.862 3.006 1.00 0.00 N ATOM 590 CE2 TRP A 891 -2.069 6.591 3.104 1.00 0.00 C ATOM 591 CE3 TRP A 891 -3.726 5.360 1.881 1.00 0.00 C ATOM 592 CZ2 TRP A 891 -2.995 6.993 4.051 1.00 0.00 C ATOM 593 CZ3 TRP A 891 -4.650 5.758 2.816 1.00 0.00 C ATOM 594 CH2 TRP A 891 -4.280 6.567 3.889 1.00 0.00 C ATOM 0 H TRP A 891 1.474 4.064 0.165 1.00 0.00 H new ATOM 0 HA TRP A 891 -1.076 2.770 0.885 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -0.516 5.304 -0.731 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -2.108 4.629 -0.447 1.00 0.00 H new ATOM 0 HD1 TRP A 891 0.784 6.304 1.555 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -0.200 7.430 3.660 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -4.020 4.731 1.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -2.711 7.619 4.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -5.677 5.440 2.718 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -5.029 6.863 4.609 1.00 0.00 H new ATOM 605 N TYR A 892 -1.615 1.932 -1.391 1.00 0.00 N ATOM 606 CA TYR A 892 -1.888 1.229 -2.639 1.00 0.00 C ATOM 607 C TYR A 892 -3.188 1.771 -3.196 1.00 0.00 C ATOM 608 O TYR A 892 -4.043 2.201 -2.429 1.00 0.00 O ATOM 609 CB TYR A 892 -2.031 -0.279 -2.396 1.00 0.00 C ATOM 610 CG TYR A 892 -0.773 -0.958 -1.914 1.00 0.00 C ATOM 611 CD1 TYR A 892 -0.392 -0.893 -0.582 1.00 0.00 C ATOM 612 CD2 TYR A 892 0.028 -1.676 -2.792 1.00 0.00 C ATOM 613 CE1 TYR A 892 0.745 -1.514 -0.139 1.00 0.00 C ATOM 614 CE2 TYR A 892 1.167 -2.315 -2.351 1.00 0.00 C ATOM 615 CZ TYR A 892 1.523 -2.226 -1.025 1.00 0.00 C ATOM 616 OH TYR A 892 2.628 -2.889 -0.567 1.00 0.00 O ATOM 0 H TYR A 892 -2.371 1.851 -0.711 1.00 0.00 H new ATOM 0 HA TYR A 892 -1.064 1.383 -3.336 1.00 0.00 H new ATOM 0 HB2 TYR A 892 -2.821 -0.443 -1.663 1.00 0.00 H new ATOM 0 HB3 TYR A 892 -2.353 -0.754 -3.323 1.00 0.00 H new ATOM 0 HD1 TYR A 892 -1.003 -0.343 0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 892 -0.245 -1.735 -3.835 1.00 0.00 H new ATOM 0 HE1 TYR A 892 1.031 -1.446 0.900 1.00 0.00 H new ATOM 0 HE2 TYR A 892 1.775 -2.881 -3.041 1.00 0.00 H new ATOM 0 HH TYR A 892 2.352 -3.590 0.060 1.00 0.00 H new ATOM 626 N HIS A 893 -3.342 1.780 -4.493 1.00 0.00 N ATOM 627 CA HIS A 893 -4.567 2.325 -5.104 1.00 0.00 C ATOM 628 C HIS A 893 -5.726 1.370 -4.948 1.00 0.00 C ATOM 629 O HIS A 893 -5.554 0.160 -5.059 1.00 0.00 O ATOM 630 CB HIS A 893 -4.410 2.623 -6.604 1.00 0.00 C ATOM 631 CG HIS A 893 -3.465 3.710 -6.982 1.00 0.00 C ATOM 632 ND1 HIS A 893 -2.319 3.435 -7.680 1.00 0.00 N ATOM 633 CD2 HIS A 893 -3.575 5.047 -6.817 1.00 0.00 C ATOM 634 CE1 HIS A 893 -1.758 4.615 -7.926 1.00 0.00 C ATOM 635 NE2 HIS A 893 -2.478 5.612 -7.423 1.00 0.00 N ATOM 0 H HIS A 893 -2.654 1.425 -5.157 1.00 0.00 H new ATOM 0 HA HIS A 893 -4.759 3.259 -4.575 1.00 0.00 H new ATOM 0 HB2 HIS A 893 -4.088 1.707 -7.099 1.00 0.00 H new ATOM 0 HB3 HIS A 893 -5.392 2.874 -7.004 1.00 0.00 H new ATOM 0 HD1 HIS A 893 -1.969 2.517 -7.954 1.00 0.00 H new ATOM 0 HD2 HIS A 893 -4.371 5.570 -6.308 1.00 0.00 H new ATOM 0 HE1 HIS A 893 -0.833 4.747 -8.467 1.00 0.00 H new ATOM 0 HE2 HIS A 893 -2.259 6.607 -7.476 1.00 0.00 H new ATOM 643 N TRP A 894 -6.903 1.920 -4.708 1.00 0.00 N ATOM 644 CA TRP A 894 -8.141 1.139 -4.649 1.00 0.00 C ATOM 645 C TRP A 894 -8.400 0.314 -5.929 1.00 0.00 C ATOM 646 O TRP A 894 -8.668 -0.884 -5.830 1.00 0.00 O ATOM 647 CB TRP A 894 -9.352 2.011 -4.285 1.00 0.00 C ATOM 648 CG TRP A 894 -9.503 2.246 -2.817 1.00 0.00 C ATOM 649 CD1 TRP A 894 -8.563 2.067 -1.853 1.00 0.00 C ATOM 650 CD2 TRP A 894 -10.675 2.696 -2.143 1.00 0.00 C ATOM 651 NE1 TRP A 894 -9.094 2.361 -0.623 1.00 0.00 N ATOM 652 CE2 TRP A 894 -10.373 2.744 -0.773 1.00 0.00 C ATOM 653 CE3 TRP A 894 -11.951 3.060 -2.560 1.00 0.00 C ATOM 654 CZ2 TRP A 894 -11.289 3.126 0.180 1.00 0.00 C ATOM 655 CZ3 TRP A 894 -12.867 3.453 -1.607 1.00 0.00 C ATOM 656 CH2 TRP A 894 -12.531 3.480 -0.250 1.00 0.00 C ATOM 0 H TRP A 894 -7.035 2.919 -4.548 1.00 0.00 H new ATOM 0 HA TRP A 894 -8.000 0.417 -3.844 1.00 0.00 H new ATOM 0 HB2 TRP A 894 -9.261 2.972 -4.791 1.00 0.00 H new ATOM 0 HB3 TRP A 894 -10.257 1.536 -4.663 1.00 0.00 H new ATOM 0 HD1 TRP A 894 -7.548 1.742 -2.029 1.00 0.00 H new ATOM 0 HE1 TRP A 894 -8.596 2.299 0.265 1.00 0.00 H new ATOM 0 HE3 TRP A 894 -12.218 3.035 -3.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 -11.032 3.144 1.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 -13.861 3.745 -1.914 1.00 0.00 H new ATOM 0 HH2 TRP A 894 -13.273 3.788 0.472 1.00 0.00 H new ATOM 667 N PRO A 895 -8.315 0.915 -7.155 1.00 0.00 N ATOM 668 CA PRO A 895 -8.492 0.165 -8.409 1.00 0.00 C ATOM 669 C PRO A 895 -7.445 -0.946 -8.601 1.00 0.00 C ATOM 670 O PRO A 895 -7.670 -1.884 -9.354 1.00 0.00 O ATOM 671 CB PRO A 895 -8.328 1.231 -9.505 1.00 0.00 C ATOM 672 CG PRO A 895 -7.619 2.352 -8.839 1.00 0.00 C ATOM 673 CD PRO A 895 -8.124 2.355 -7.438 1.00 0.00 C ATOM 0 HA PRO A 895 -9.455 -0.345 -8.424 1.00 0.00 H new ATOM 0 HB2 PRO A 895 -7.755 0.846 -10.349 1.00 0.00 H new ATOM 0 HB3 PRO A 895 -9.295 1.550 -9.895 1.00 0.00 H new ATOM 0 HG2 PRO A 895 -6.539 2.208 -8.868 1.00 0.00 H new ATOM 0 HG3 PRO A 895 -7.827 3.300 -9.335 1.00 0.00 H new ATOM 0 HD2 PRO A 895 -7.410 2.811 -6.752 1.00 0.00 H new ATOM 0 HD3 PRO A 895 -9.056 2.913 -7.345 1.00 0.00 H new ATOM 681 N CYS A 896 -6.326 -0.866 -7.886 1.00 0.00 N ATOM 682 CA CYS A 896 -5.262 -1.847 -8.047 1.00 0.00 C ATOM 683 C CYS A 896 -5.523 -3.086 -7.227 1.00 0.00 C ATOM 684 O CYS A 896 -4.995 -4.165 -7.507 1.00 0.00 O ATOM 685 CB CYS A 896 -3.936 -1.226 -7.651 1.00 0.00 C ATOM 686 SG CYS A 896 -3.486 0.185 -8.674 1.00 0.00 S ATOM 0 H CYS A 896 -6.135 -0.139 -7.197 1.00 0.00 H new ATOM 0 HA CYS A 896 -5.228 -2.147 -9.094 1.00 0.00 H new ATOM 0 HB2 CYS A 896 -3.986 -0.911 -6.609 1.00 0.00 H new ATOM 0 HB3 CYS A 896 -3.153 -1.981 -7.719 1.00 0.00 H new ATOM 0 HG CYS A 896 -2.195 0.220 -8.821 1.00 0.00 H new ATOM 691 N VAL A 897 -6.341 -2.938 -6.235 1.00 0.00 N ATOM 692 CA VAL A 897 -6.644 -4.027 -5.351 1.00 0.00 C ATOM 693 C VAL A 897 -8.126 -4.369 -5.400 1.00 0.00 C ATOM 694 O VAL A 897 -8.623 -5.132 -4.578 1.00 0.00 O ATOM 695 CB VAL A 897 -6.161 -3.738 -3.900 1.00 0.00 C ATOM 696 CG1 VAL A 897 -4.633 -3.760 -3.839 1.00 0.00 C ATOM 697 CG2 VAL A 897 -6.651 -2.381 -3.439 1.00 0.00 C ATOM 0 H VAL A 897 -6.818 -2.065 -6.012 1.00 0.00 H new ATOM 0 HA VAL A 897 -6.094 -4.902 -5.696 1.00 0.00 H new ATOM 0 HB VAL A 897 -6.567 -4.511 -3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 897 -4.307 -3.557 -2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 897 -4.271 -4.741 -4.147 1.00 0.00 H new ATOM 0 HG13 VAL A 897 -4.231 -2.998 -4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 897 -6.304 -2.195 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 897 -6.261 -1.609 -4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 897 -7.741 -2.361 -3.460 1.00 0.00 H new ATOM 707 N GLY A 898 -8.806 -3.814 -6.401 1.00 0.00 N ATOM 708 CA GLY A 898 -10.216 -4.081 -6.629 1.00 0.00 C ATOM 709 C GLY A 898 -11.097 -3.633 -5.485 1.00 0.00 C ATOM 710 O GLY A 898 -11.929 -4.394 -4.994 1.00 0.00 O ATOM 0 H GLY A 898 -8.392 -3.168 -7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 898 -10.532 -3.577 -7.542 1.00 0.00 H new ATOM 0 HA3 GLY A 898 -10.356 -5.150 -6.790 1.00 0.00 H new ATOM 714 N ILE A 899 -10.905 -2.420 -5.041 1.00 0.00 N ATOM 715 CA ILE A 899 -11.668 -1.883 -3.939 1.00 0.00 C ATOM 716 C ILE A 899 -12.472 -0.665 -4.371 1.00 0.00 C ATOM 717 O ILE A 899 -11.978 0.178 -5.124 1.00 0.00 O ATOM 718 CB ILE A 899 -10.734 -1.526 -2.751 1.00 0.00 C ATOM 719 CG1 ILE A 899 -10.089 -2.802 -2.198 1.00 0.00 C ATOM 720 CG2 ILE A 899 -11.477 -0.771 -1.654 1.00 0.00 C ATOM 721 CD1 ILE A 899 -9.183 -2.573 -1.017 1.00 0.00 C ATOM 0 H ILE A 899 -10.217 -1.775 -5.430 1.00 0.00 H new ATOM 0 HA ILE A 899 -12.369 -2.650 -3.610 1.00 0.00 H new ATOM 0 HB ILE A 899 -9.952 -0.862 -3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 899 -10.876 -3.498 -1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 899 -9.517 -3.281 -2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 899 -10.789 -0.540 -0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 899 -11.883 0.155 -2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 899 -12.292 -1.388 -1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 899 -8.768 -3.525 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 899 -8.372 -1.904 -1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 899 -9.752 -2.124 -0.203 1.00 0.00 H new ATOM 733 N MET A 900 -13.717 -0.604 -3.936 1.00 0.00 N ATOM 734 CA MET A 900 -14.584 0.538 -4.223 1.00 0.00 C ATOM 735 C MET A 900 -15.090 1.186 -2.935 1.00 0.00 C ATOM 736 O MET A 900 -15.659 2.290 -2.957 1.00 0.00 O ATOM 737 CB MET A 900 -15.769 0.152 -5.117 1.00 0.00 C ATOM 738 CG MET A 900 -15.385 -0.330 -6.505 1.00 0.00 C ATOM 739 SD MET A 900 -16.820 -0.558 -7.574 1.00 0.00 S ATOM 740 CE MET A 900 -16.025 -1.134 -9.077 1.00 0.00 C ATOM 0 H MET A 900 -14.159 -1.335 -3.378 1.00 0.00 H new ATOM 0 HA MET A 900 -13.976 1.262 -4.766 1.00 0.00 H new ATOM 0 HB2 MET A 900 -16.341 -0.631 -4.620 1.00 0.00 H new ATOM 0 HB3 MET A 900 -16.428 1.014 -5.216 1.00 0.00 H new ATOM 0 HG2 MET A 900 -14.706 0.390 -6.962 1.00 0.00 H new ATOM 0 HG3 MET A 900 -14.843 -1.272 -6.423 1.00 0.00 H new ATOM 0 HE1 MET A 900 -16.781 -1.321 -9.840 1.00 0.00 H new ATOM 0 HE2 MET A 900 -15.329 -0.375 -9.434 1.00 0.00 H new ATOM 0 HE3 MET A 900 -15.482 -2.056 -8.871 1.00 0.00 H new ATOM 750 N ALA A 901 -14.881 0.505 -1.830 1.00 0.00 N ATOM 751 CA ALA A 901 -15.267 0.973 -0.503 1.00 0.00 C ATOM 752 C ALA A 901 -14.389 0.264 0.498 1.00 0.00 C ATOM 753 O ALA A 901 -14.167 -0.923 0.323 1.00 0.00 O ATOM 754 CB ALA A 901 -16.725 0.651 -0.238 1.00 0.00 C ATOM 0 H ALA A 901 -14.429 -0.409 -1.821 1.00 0.00 H new ATOM 0 HA ALA A 901 -15.143 2.053 -0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 901 -17.001 1.005 0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 901 -17.348 1.143 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 901 -16.875 -0.427 -0.294 1.00 0.00 H new ATOM 760 N ALA A 902 -13.886 0.997 1.514 1.00 0.00 N ATOM 761 CA ALA A 902 -12.925 0.505 2.531 1.00 0.00 C ATOM 762 C ALA A 902 -13.353 -0.808 3.199 1.00 0.00 C ATOM 763 O ALA A 902 -14.220 -0.836 4.083 1.00 0.00 O ATOM 764 CB ALA A 902 -12.657 1.572 3.579 1.00 0.00 C ATOM 0 H ALA A 902 -14.142 1.974 1.656 1.00 0.00 H new ATOM 0 HA ALA A 902 -12.004 0.286 1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -11.950 1.190 4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -12.239 2.457 3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -13.590 1.836 4.076 1.00 0.00 H new ATOM 770 N PRO A 903 -12.766 -1.903 2.750 1.00 0.00 N ATOM 771 CA PRO A 903 -13.087 -3.239 3.218 1.00 0.00 C ATOM 772 C PRO A 903 -12.089 -3.880 4.206 1.00 0.00 C ATOM 773 O PRO A 903 -10.864 -3.716 4.103 1.00 0.00 O ATOM 774 CB PRO A 903 -13.017 -4.008 1.919 1.00 0.00 C ATOM 775 CG PRO A 903 -11.832 -3.397 1.215 1.00 0.00 C ATOM 776 CD PRO A 903 -11.806 -1.938 1.644 1.00 0.00 C ATOM 0 HA PRO A 903 -14.025 -3.235 3.774 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -12.876 -5.075 2.091 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -13.932 -3.897 1.337 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -10.908 -3.903 1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -11.931 -3.485 0.133 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -10.811 -1.629 1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -12.101 -1.273 0.832 1.00 0.00 H new ATOM 845 N GLN A 908 -7.615 -7.426 9.509 1.00 0.00 N ATOM 846 CA GLN A 908 -7.029 -6.221 8.959 1.00 0.00 C ATOM 847 C GLN A 908 -6.639 -6.410 7.484 1.00 0.00 C ATOM 848 O GLN A 908 -6.590 -7.529 6.969 1.00 0.00 O ATOM 849 CB GLN A 908 -5.796 -5.779 9.776 1.00 0.00 C ATOM 850 CG GLN A 908 -6.071 -5.343 11.225 1.00 0.00 C ATOM 851 CD GLN A 908 -6.581 -6.455 12.123 1.00 0.00 C ATOM 852 OE1 GLN A 908 -7.787 -6.657 12.261 1.00 0.00 O ATOM 853 NE2 GLN A 908 -5.689 -7.194 12.713 1.00 0.00 N ATOM 0 HA GLN A 908 -7.786 -5.439 9.018 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -5.082 -6.603 9.794 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -5.315 -4.952 9.253 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -5.153 -4.939 11.651 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -6.801 -4.534 11.217 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -4.697 -7.001 12.578 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -5.982 -7.967 13.311 1.00 0.00 H new ATOM 862 N TRP A 909 -6.315 -5.342 6.849 1.00 0.00 N ATOM 863 CA TRP A 909 -6.067 -5.366 5.435 1.00 0.00 C ATOM 864 C TRP A 909 -4.588 -5.389 5.168 1.00 0.00 C ATOM 865 O TRP A 909 -3.818 -4.594 5.739 1.00 0.00 O ATOM 866 CB TRP A 909 -6.725 -4.168 4.734 1.00 0.00 C ATOM 867 CG TRP A 909 -6.621 -4.218 3.233 1.00 0.00 C ATOM 868 CD1 TRP A 909 -7.497 -4.815 2.375 1.00 0.00 C ATOM 869 CD2 TRP A 909 -5.580 -3.656 2.413 1.00 0.00 C ATOM 870 NE1 TRP A 909 -7.068 -4.657 1.079 1.00 0.00 N ATOM 871 CE2 TRP A 909 -5.897 -3.951 1.076 1.00 0.00 C ATOM 872 CE3 TRP A 909 -4.420 -2.934 2.685 1.00 0.00 C ATOM 873 CZ2 TRP A 909 -5.094 -3.549 0.018 1.00 0.00 C ATOM 874 CZ3 TRP A 909 -3.620 -2.535 1.634 1.00 0.00 C ATOM 875 CH2 TRP A 909 -3.962 -2.843 0.314 1.00 0.00 C ATOM 0 H TRP A 909 -6.212 -4.425 7.284 1.00 0.00 H new ATOM 0 HA TRP A 909 -6.512 -6.274 5.027 1.00 0.00 H new ATOM 0 HB2 TRP A 909 -7.777 -4.125 5.016 1.00 0.00 H new ATOM 0 HB3 TRP A 909 -6.262 -3.249 5.092 1.00 0.00 H new ATOM 0 HD1 TRP A 909 -8.396 -5.336 2.671 1.00 0.00 H new ATOM 0 HE1 TRP A 909 -7.547 -5.010 0.251 1.00 0.00 H new ATOM 0 HE3 TRP A 909 -4.151 -2.690 3.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 -5.354 -3.786 -1.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 -2.717 -1.977 1.834 1.00 0.00 H new ATOM 0 HH2 TRP A 909 -3.318 -2.516 -0.489 1.00 0.00 H new ATOM 886 N PHE A 910 -4.196 -6.286 4.313 1.00 0.00 N ATOM 887 CA PHE A 910 -2.831 -6.438 3.939 1.00 0.00 C ATOM 888 C PHE A 910 -2.747 -6.383 2.440 1.00 0.00 C ATOM 889 O PHE A 910 -3.624 -6.913 1.737 1.00 0.00 O ATOM 890 CB PHE A 910 -2.255 -7.753 4.499 1.00 0.00 C ATOM 891 CG PHE A 910 -2.381 -7.824 5.996 1.00 0.00 C ATOM 892 CD1 PHE A 910 -1.510 -7.121 6.808 1.00 0.00 C ATOM 893 CD2 PHE A 910 -3.407 -8.549 6.587 1.00 0.00 C ATOM 894 CE1 PHE A 910 -1.662 -7.134 8.176 1.00 0.00 C ATOM 895 CE2 PHE A 910 -3.556 -8.573 7.953 1.00 0.00 C ATOM 896 CZ PHE A 910 -2.687 -7.861 8.749 1.00 0.00 C ATOM 0 H PHE A 910 -4.829 -6.940 3.852 1.00 0.00 H new ATOM 0 HA PHE A 910 -2.230 -5.632 4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 910 -2.776 -8.599 4.050 1.00 0.00 H new ATOM 0 HB3 PHE A 910 -1.205 -7.839 4.218 1.00 0.00 H new ATOM 0 HD1 PHE A 910 -0.703 -6.557 6.365 1.00 0.00 H new ATOM 0 HD2 PHE A 910 -4.097 -9.101 5.966 1.00 0.00 H new ATOM 0 HE1 PHE A 910 -0.980 -6.576 8.801 1.00 0.00 H new ATOM 0 HE2 PHE A 910 -4.352 -9.149 8.401 1.00 0.00 H new ATOM 0 HZ PHE A 910 -2.807 -7.871 9.822 1.00 0.00 H new ATOM 906 N CYS A 911 -1.742 -5.716 1.959 1.00 0.00 N ATOM 907 CA CYS A 911 -1.529 -5.510 0.564 1.00 0.00 C ATOM 908 C CYS A 911 -1.124 -6.797 -0.142 1.00 0.00 C ATOM 909 O CYS A 911 -0.784 -7.780 0.514 1.00 0.00 O ATOM 910 CB CYS A 911 -0.423 -4.478 0.440 1.00 0.00 C ATOM 911 SG CYS A 911 1.105 -4.873 1.347 1.00 0.00 S ATOM 0 H CYS A 911 -1.027 -5.288 2.547 1.00 0.00 H new ATOM 0 HA CYS A 911 -2.451 -5.172 0.092 1.00 0.00 H new ATOM 0 HB2 CYS A 911 -0.179 -4.354 -0.615 1.00 0.00 H new ATOM 0 HB3 CYS A 911 -0.800 -3.519 0.795 1.00 0.00 H new ATOM 0 HG CYS A 911 0.944 -4.601 2.608 1.00 0.00 H new ATOM 916 N PRO A 912 -1.141 -6.814 -1.498 1.00 0.00 N ATOM 917 CA PRO A 912 -0.650 -7.952 -2.294 1.00 0.00 C ATOM 918 C PRO A 912 0.799 -8.341 -1.912 1.00 0.00 C ATOM 919 O PRO A 912 1.240 -9.468 -2.149 1.00 0.00 O ATOM 920 CB PRO A 912 -0.693 -7.419 -3.749 1.00 0.00 C ATOM 921 CG PRO A 912 -0.923 -5.943 -3.625 1.00 0.00 C ATOM 922 CD PRO A 912 -1.704 -5.765 -2.370 1.00 0.00 C ATOM 0 HA PRO A 912 -1.247 -8.850 -2.137 1.00 0.00 H new ATOM 0 HB2 PRO A 912 0.240 -7.629 -4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 912 -1.492 -7.895 -4.318 1.00 0.00 H new ATOM 0 HG2 PRO A 912 0.022 -5.401 -3.579 1.00 0.00 H new ATOM 0 HG3 PRO A 912 -1.470 -5.558 -4.485 1.00 0.00 H new ATOM 0 HD2 PRO A 912 -1.571 -4.770 -1.946 1.00 0.00 H new ATOM 0 HD3 PRO A 912 -2.773 -5.902 -2.533 1.00 0.00 H new ATOM 930 N LYS A 913 1.515 -7.410 -1.298 1.00 0.00 N ATOM 931 CA LYS A 913 2.865 -7.643 -0.860 1.00 0.00 C ATOM 932 C LYS A 913 2.866 -8.393 0.478 1.00 0.00 C ATOM 933 O LYS A 913 3.497 -9.442 0.598 1.00 0.00 O ATOM 934 CB LYS A 913 3.635 -6.320 -0.766 1.00 0.00 C ATOM 935 CG LYS A 913 3.786 -5.552 -2.099 1.00 0.00 C ATOM 936 CD LYS A 913 4.990 -5.996 -2.962 1.00 0.00 C ATOM 937 CE LYS A 913 4.875 -7.412 -3.523 1.00 0.00 C ATOM 938 NZ LYS A 913 6.029 -7.757 -4.382 1.00 0.00 N ATOM 0 H LYS A 913 1.167 -6.473 -1.094 1.00 0.00 H new ATOM 0 HA LYS A 913 3.374 -8.268 -1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 913 3.130 -5.674 -0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 913 4.629 -6.524 -0.368 1.00 0.00 H new ATOM 0 HG2 LYS A 913 2.873 -5.676 -2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 913 3.883 -4.488 -1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 913 5.104 -5.298 -3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 913 5.897 -5.929 -2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 913 4.808 -8.125 -2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 913 3.954 -7.501 -4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 5.915 -8.725 -4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 6.078 -7.092 -5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 6.906 -7.696 -3.826 1.00 0.00 H new ATOM 952 N CYS A 914 2.127 -7.898 1.463 1.00 0.00 N ATOM 953 CA CYS A 914 2.067 -8.565 2.756 1.00 0.00 C ATOM 954 C CYS A 914 1.207 -9.829 2.740 1.00 0.00 C ATOM 955 O CYS A 914 1.485 -10.772 3.464 1.00 0.00 O ATOM 956 CB CYS A 914 1.657 -7.609 3.872 1.00 0.00 C ATOM 957 SG CYS A 914 2.904 -6.351 4.246 1.00 0.00 S ATOM 0 H CYS A 914 1.568 -7.048 1.393 1.00 0.00 H new ATOM 0 HA CYS A 914 3.083 -8.897 2.971 1.00 0.00 H new ATOM 0 HB2 CYS A 914 0.727 -7.114 3.591 1.00 0.00 H new ATOM 0 HB3 CYS A 914 1.452 -8.185 4.775 1.00 0.00 H new ATOM 0 HG CYS A 914 2.656 -5.276 3.558 1.00 0.00 H new ATOM 962 N ALA A 915 0.207 -9.869 1.893 1.00 0.00 N ATOM 963 CA ALA A 915 -0.633 -11.052 1.769 1.00 0.00 C ATOM 964 C ALA A 915 0.170 -12.214 1.198 1.00 0.00 C ATOM 965 O ALA A 915 -0.135 -13.386 1.446 1.00 0.00 O ATOM 966 CB ALA A 915 -1.836 -10.759 0.908 1.00 0.00 C ATOM 0 H ALA A 915 -0.051 -9.099 1.276 1.00 0.00 H new ATOM 0 HA ALA A 915 -0.986 -11.333 2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 915 -2.452 -11.655 0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 915 -2.420 -9.957 1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 915 -1.507 -10.454 -0.085 1.00 0.00 H new ATOM 972 N ASN A 916 1.224 -11.870 0.469 1.00 0.00 N ATOM 973 CA ASN A 916 2.144 -12.835 -0.121 1.00 0.00 C ATOM 974 C ASN A 916 2.934 -13.529 0.992 1.00 0.00 C ATOM 975 O ASN A 916 3.319 -14.689 0.870 1.00 0.00 O ATOM 976 CB ASN A 916 3.111 -12.106 -1.070 1.00 0.00 C ATOM 977 CG ASN A 916 4.066 -13.017 -1.836 1.00 0.00 C ATOM 978 OD1 ASN A 916 5.214 -12.646 -2.083 1.00 0.00 O ATOM 979 ND2 ASN A 916 3.598 -14.153 -2.285 1.00 0.00 N ATOM 0 H ASN A 916 1.467 -10.900 0.268 1.00 0.00 H new ATOM 0 HA ASN A 916 1.583 -13.581 -0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 916 2.527 -11.529 -1.788 1.00 0.00 H new ATOM 0 HB3 ASN A 916 3.698 -11.393 -0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 916 4.188 -14.758 -2.856 1.00 0.00 H new ATOM 0 HD22 ASN A 916 2.643 -14.434 -2.064 1.00 0.00 H new ATOM 986 N LYS A 917 3.121 -12.805 2.092 1.00 0.00 N ATOM 987 CA LYS A 917 3.848 -13.291 3.264 1.00 0.00 C ATOM 988 C LYS A 917 2.926 -14.202 4.076 1.00 0.00 C ATOM 989 O LYS A 917 3.355 -15.224 4.617 1.00 0.00 O ATOM 990 CB LYS A 917 4.244 -12.103 4.158 1.00 0.00 C ATOM 991 CG LYS A 917 5.004 -10.977 3.464 1.00 0.00 C ATOM 992 CD LYS A 917 5.086 -9.756 4.379 1.00 0.00 C ATOM 993 CE LYS A 917 5.729 -8.557 3.692 1.00 0.00 C ATOM 994 NZ LYS A 917 5.621 -7.328 4.520 1.00 0.00 N ATOM 0 H LYS A 917 2.769 -11.854 2.197 1.00 0.00 H new ATOM 0 HA LYS A 917 4.738 -13.828 2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 917 3.339 -11.687 4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 917 4.856 -12.478 4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 917 6.007 -11.313 3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 917 4.504 -10.710 2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 917 4.083 -9.486 4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 917 5.659 -10.011 5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 917 6.779 -8.771 3.493 1.00 0.00 H new ATOM 0 HE3 LYS A 917 5.250 -8.390 2.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 6.376 -6.664 4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 4.695 -6.882 4.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 5.716 -7.577 5.525 1.00 0.00 H new ATOM 1008 N ILE A 918 1.655 -13.792 4.149 1.00 0.00 N ATOM 1009 CA ILE A 918 0.608 -14.488 4.908 1.00 0.00 C ATOM 1010 C ILE A 918 0.368 -15.897 4.358 1.00 0.00 C ATOM 1011 O ILE A 918 0.301 -16.869 5.115 1.00 0.00 O ATOM 1012 CB ILE A 918 -0.739 -13.694 4.862 1.00 0.00 C ATOM 1013 CG1 ILE A 918 -0.562 -12.248 5.373 1.00 0.00 C ATOM 1014 CG2 ILE A 918 -1.843 -14.409 5.648 1.00 0.00 C ATOM 1015 CD1 ILE A 918 -0.089 -12.129 6.808 1.00 0.00 C ATOM 0 H ILE A 918 1.319 -12.954 3.675 1.00 0.00 H new ATOM 0 HA ILE A 918 0.955 -14.558 5.939 1.00 0.00 H new ATOM 0 HB ILE A 918 -1.045 -13.649 3.817 1.00 0.00 H new ATOM 0 HG12 ILE A 918 0.151 -11.735 4.728 1.00 0.00 H new ATOM 0 HG13 ILE A 918 -1.513 -11.725 5.275 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -2.763 -13.828 5.593 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -2.012 -15.397 5.221 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -1.540 -14.511 6.690 1.00 0.00 H new ATOM 0 HD11 ILE A 918 0.005 -11.076 7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -0.811 -12.607 7.470 1.00 0.00 H new ATOM 0 HD13 ILE A 918 0.880 -12.618 6.914 1.00 0.00 H new