USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 498 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 Single : A 183 LYS NZ :NH3+ -138:sc= -0.0317 (180deg=-5.8!) USER MOD Single : A 193 THR OG1 : rot -29:sc= 0.628 USER MOD Single : A 197 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 201 TYR OH : rot 180:sc= 0 USER MOD Single : A 210 SER OG : rot 38:sc= 0.239 USER MOD Single : A 226 CYS SG : rot 180:sc= -2.38! USER MOD Single : A 229 THR OG1 : rot 180:sc= -0.0624 USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 237 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 238 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 MET CE :methyl 175:sc= 0 (180deg=-0.0108) USER MOD Single : A 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 TYR OH : rot 150:sc= 0 USER MOD Single : A 245 HIS :FLIP no HD1:sc= -20.1! C(o=-25!,f=-20!) USER MOD Single : A 246 ASN : amide:sc= -2.52 K(o=-2.5,f=-7!) USER MOD Single : A 250 SER OG : rot -70:sc= -0.182 USER MOD Single : A 251 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 252 CYS SG : rot 13:sc= -4.08! USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 183 -0.860 8.420 -4.878 1.00 0.00 N ATOM 2 CA LYS A 183 -0.636 7.174 -5.657 1.00 0.00 C ATOM 3 C LYS A 183 -1.076 5.992 -4.813 1.00 0.00 C ATOM 4 O LYS A 183 -1.149 6.077 -3.604 1.00 0.00 O ATOM 5 CB LYS A 183 0.865 7.165 -5.929 1.00 0.00 C ATOM 6 CG LYS A 183 1.408 5.724 -6.079 1.00 0.00 C ATOM 7 CD LYS A 183 1.886 5.539 -7.509 1.00 0.00 C ATOM 8 CE LYS A 183 3.411 5.663 -7.561 1.00 0.00 C ATOM 9 NZ LYS A 183 3.753 5.649 -9.012 1.00 0.00 N ATOM 0 HA LYS A 183 -1.198 7.119 -6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 183 1.074 7.730 -6.838 1.00 0.00 H new ATOM 0 HB3 LYS A 183 1.386 7.668 -5.114 1.00 0.00 H new ATOM 0 HG2 LYS A 183 2.227 5.552 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.630 4.999 -5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 183 1.578 4.563 -7.883 1.00 0.00 H new ATOM 0 HD3 LYS A 183 1.428 6.287 -8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 183 3.748 6.584 -7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 183 3.892 4.838 -7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 4.593 5.055 -9.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 2.953 5.263 -9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 3.952 6.619 -9.331 1.00 0.00 H new ATOM 23 N ILE A 184 -1.359 4.887 -5.421 1.00 0.00 N ATOM 24 CA ILE A 184 -1.769 3.726 -4.619 1.00 0.00 C ATOM 25 C ILE A 184 -0.976 2.492 -5.055 1.00 0.00 C ATOM 26 O ILE A 184 -0.254 2.526 -6.032 1.00 0.00 O ATOM 27 CB ILE A 184 -3.262 3.542 -4.889 1.00 0.00 C ATOM 28 CG1 ILE A 184 -3.516 3.598 -6.397 1.00 0.00 C ATOM 29 CG2 ILE A 184 -4.052 4.655 -4.197 1.00 0.00 C ATOM 30 CD1 ILE A 184 -4.664 2.654 -6.756 1.00 0.00 C ATOM 0 H ILE A 184 -1.324 4.740 -6.430 1.00 0.00 H new ATOM 0 HA ILE A 184 -1.579 3.870 -3.555 1.00 0.00 H new ATOM 0 HB ILE A 184 -3.584 2.576 -4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -3.761 4.617 -6.698 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -2.614 3.314 -6.939 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -5.116 4.521 -4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -3.872 4.615 -3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -3.732 5.623 -4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -4.845 2.694 -7.830 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -4.401 1.636 -6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -5.565 2.959 -6.224 1.00 0.00 H new ATOM 42 N PHE A 185 -1.098 1.403 -4.349 1.00 0.00 N ATOM 43 CA PHE A 185 -0.339 0.185 -4.749 1.00 0.00 C ATOM 44 C PHE A 185 -1.254 -1.039 -4.735 1.00 0.00 C ATOM 45 O PHE A 185 -1.984 -1.271 -3.798 1.00 0.00 O ATOM 46 CB PHE A 185 0.809 0.079 -3.728 1.00 0.00 C ATOM 47 CG PHE A 185 0.963 -1.331 -3.187 1.00 0.00 C ATOM 48 CD1 PHE A 185 1.043 -2.423 -4.062 1.00 0.00 C ATOM 49 CD2 PHE A 185 1.031 -1.539 -1.806 1.00 0.00 C ATOM 50 CE1 PHE A 185 1.187 -3.719 -3.551 1.00 0.00 C ATOM 51 CE2 PHE A 185 1.175 -2.834 -1.296 1.00 0.00 C ATOM 52 CZ PHE A 185 1.253 -3.925 -2.169 1.00 0.00 C ATOM 0 H PHE A 185 -1.684 1.303 -3.520 1.00 0.00 H new ATOM 0 HA PHE A 185 0.053 0.241 -5.765 1.00 0.00 H new ATOM 0 HB2 PHE A 185 1.742 0.390 -4.198 1.00 0.00 H new ATOM 0 HB3 PHE A 185 0.624 0.766 -2.902 1.00 0.00 H new ATOM 0 HD1 PHE A 185 0.994 -2.265 -5.129 1.00 0.00 H new ATOM 0 HD2 PHE A 185 0.972 -0.698 -1.131 1.00 0.00 H new ATOM 0 HE1 PHE A 185 1.247 -4.561 -4.225 1.00 0.00 H new ATOM 0 HE2 PHE A 185 1.226 -2.992 -0.229 1.00 0.00 H new ATOM 0 HZ PHE A 185 1.364 -4.925 -1.776 1.00 0.00 H new ATOM 62 N VAL A 186 -1.210 -1.827 -5.775 1.00 0.00 N ATOM 63 CA VAL A 186 -2.071 -3.039 -5.821 1.00 0.00 C ATOM 64 C VAL A 186 -1.234 -4.295 -5.594 1.00 0.00 C ATOM 65 O VAL A 186 -0.245 -4.522 -6.268 1.00 0.00 O ATOM 66 CB VAL A 186 -2.663 -3.069 -7.227 1.00 0.00 C ATOM 67 CG1 VAL A 186 -3.697 -4.199 -7.318 1.00 0.00 C ATOM 68 CG2 VAL A 186 -3.340 -1.729 -7.532 1.00 0.00 C ATOM 0 H VAL A 186 -0.616 -1.683 -6.592 1.00 0.00 H new ATOM 0 HA VAL A 186 -2.840 -3.010 -5.049 1.00 0.00 H new ATOM 0 HB VAL A 186 -1.867 -3.242 -7.952 1.00 0.00 H new ATOM 0 HG11 VAL A 186 -4.122 -4.223 -8.321 1.00 0.00 H new ATOM 0 HG12 VAL A 186 -3.214 -5.153 -7.106 1.00 0.00 H new ATOM 0 HG13 VAL A 186 -4.491 -4.025 -6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 186 -3.761 -1.755 -8.537 1.00 0.00 H new ATOM 0 HG22 VAL A 186 -4.136 -1.551 -6.809 1.00 0.00 H new ATOM 0 HG23 VAL A 186 -2.605 -0.927 -7.467 1.00 0.00 H new ATOM 78 N GLY A 187 -1.631 -5.121 -4.669 1.00 0.00 N ATOM 79 CA GLY A 187 -0.866 -6.372 -4.421 1.00 0.00 C ATOM 80 C GLY A 187 -1.615 -7.532 -5.059 1.00 0.00 C ATOM 81 O GLY A 187 -1.847 -8.560 -4.453 1.00 0.00 O ATOM 0 H GLY A 187 -2.449 -4.985 -4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 187 0.137 -6.292 -4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 187 -0.751 -6.539 -3.350 1.00 0.00 H new ATOM 148 N THR A 193 -0.754 -6.903 -16.116 1.00 0.00 N ATOM 149 CA THR A 193 -0.850 -5.535 -15.519 1.00 0.00 C ATOM 150 C THR A 193 -1.848 -4.680 -16.313 1.00 0.00 C ATOM 151 O THR A 193 -1.504 -4.113 -17.331 1.00 0.00 O ATOM 152 CB THR A 193 0.568 -4.969 -15.638 1.00 0.00 C ATOM 153 OG1 THR A 193 1.086 -5.262 -16.927 1.00 0.00 O ATOM 154 CG2 THR A 193 1.463 -5.602 -14.570 1.00 0.00 C ATOM 0 HA THR A 193 -1.203 -5.547 -14.488 1.00 0.00 H new ATOM 0 HB THR A 193 0.542 -3.889 -15.494 1.00 0.00 H new ATOM 0 HG1 THR A 193 0.686 -6.093 -17.259 1.00 0.00 H new ATOM 0 HG21 THR A 193 2.472 -5.199 -14.655 1.00 0.00 H new ATOM 0 HG22 THR A 193 1.064 -5.376 -13.581 1.00 0.00 H new ATOM 0 HG23 THR A 193 1.491 -6.682 -14.712 1.00 0.00 H new ATOM 162 N PRO A 194 -3.070 -4.635 -15.830 1.00 0.00 N ATOM 163 CA PRO A 194 -4.146 -3.869 -16.510 1.00 0.00 C ATOM 164 C PRO A 194 -3.965 -2.357 -16.329 1.00 0.00 C ATOM 165 O PRO A 194 -4.093 -1.849 -15.244 1.00 0.00 O ATOM 166 CB PRO A 194 -5.402 -4.341 -15.766 1.00 0.00 C ATOM 167 CG PRO A 194 -4.981 -5.346 -14.675 1.00 0.00 C ATOM 168 CD PRO A 194 -3.451 -5.349 -14.587 1.00 0.00 C ATOM 0 HA PRO A 194 -4.170 -4.034 -17.587 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -5.918 -3.491 -15.319 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -6.100 -4.808 -16.461 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -5.416 -5.068 -13.715 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -5.349 -6.343 -14.915 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -3.092 -4.835 -13.695 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -3.046 -6.360 -14.557 1.00 0.00 H new ATOM 176 N GLU A 195 -3.694 -1.649 -17.399 1.00 0.00 N ATOM 177 CA GLU A 195 -3.548 -0.158 -17.346 1.00 0.00 C ATOM 178 C GLU A 195 -4.839 0.490 -17.769 1.00 0.00 C ATOM 179 O GLU A 195 -5.535 1.092 -16.993 1.00 0.00 O ATOM 180 CB GLU A 195 -2.491 0.266 -18.371 1.00 0.00 C ATOM 181 CG GLU A 195 -1.745 -0.946 -18.943 1.00 0.00 C ATOM 182 CD GLU A 195 -0.549 -0.464 -19.766 1.00 0.00 C ATOM 183 OE1 GLU A 195 -0.599 0.656 -20.248 1.00 0.00 O ATOM 184 OE2 GLU A 195 0.397 -1.222 -19.902 1.00 0.00 O ATOM 0 H GLU A 195 -3.565 -2.050 -18.328 1.00 0.00 H new ATOM 0 HA GLU A 195 -3.275 0.137 -16.333 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -2.969 0.816 -19.182 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -1.779 0.945 -17.901 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -1.407 -1.594 -18.134 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -2.415 -1.538 -19.567 1.00 0.00 H new ATOM 191 N GLU A 196 -5.143 0.388 -19.031 1.00 0.00 N ATOM 192 CA GLU A 196 -6.367 1.026 -19.529 1.00 0.00 C ATOM 193 C GLU A 196 -7.521 0.602 -18.636 1.00 0.00 C ATOM 194 O GLU A 196 -8.290 1.412 -18.158 1.00 0.00 O ATOM 195 CB GLU A 196 -6.552 0.519 -20.959 1.00 0.00 C ATOM 196 CG GLU A 196 -5.870 1.482 -21.934 1.00 0.00 C ATOM 197 CD GLU A 196 -6.161 1.045 -23.371 1.00 0.00 C ATOM 198 OE1 GLU A 196 -7.266 0.592 -23.619 1.00 0.00 O ATOM 199 OE2 GLU A 196 -5.273 1.173 -24.199 1.00 0.00 O ATOM 0 H GLU A 196 -4.592 -0.111 -19.730 1.00 0.00 H new ATOM 0 HA GLU A 196 -6.319 2.115 -19.520 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -6.127 -0.480 -21.060 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -7.613 0.439 -21.193 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -6.231 2.497 -21.771 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -4.795 1.494 -21.757 1.00 0.00 H new ATOM 206 N LYS A 197 -7.611 -0.668 -18.372 1.00 0.00 N ATOM 207 CA LYS A 197 -8.681 -1.157 -17.464 1.00 0.00 C ATOM 208 C LYS A 197 -8.421 -0.547 -16.090 1.00 0.00 C ATOM 209 O LYS A 197 -9.318 -0.327 -15.302 1.00 0.00 O ATOM 210 CB LYS A 197 -8.521 -2.678 -17.427 1.00 0.00 C ATOM 211 CG LYS A 197 -9.843 -3.340 -17.819 1.00 0.00 C ATOM 212 CD LYS A 197 -9.566 -4.511 -18.764 1.00 0.00 C ATOM 213 CE LYS A 197 -10.516 -5.666 -18.443 1.00 0.00 C ATOM 214 NZ LYS A 197 -9.739 -6.899 -18.750 1.00 0.00 N ATOM 0 H LYS A 197 -6.992 -1.388 -18.744 1.00 0.00 H new ATOM 0 HA LYS A 197 -9.688 -0.888 -17.782 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -7.730 -2.988 -18.110 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -8.223 -2.999 -16.429 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -10.364 -3.693 -16.929 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -10.496 -2.614 -18.304 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -9.698 -4.195 -19.799 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -8.531 -4.838 -18.660 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -10.825 -5.644 -17.398 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -11.423 -5.610 -19.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -10.325 -7.736 -18.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -9.464 -6.895 -19.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -8.885 -6.928 -18.157 1.00 0.00 H new ATOM 228 N ILE A 198 -7.178 -0.249 -15.827 1.00 0.00 N ATOM 229 CA ILE A 198 -6.800 0.379 -14.538 1.00 0.00 C ATOM 230 C ILE A 198 -7.371 1.790 -14.504 1.00 0.00 C ATOM 231 O ILE A 198 -8.183 2.126 -13.671 1.00 0.00 O ATOM 232 CB ILE A 198 -5.248 0.364 -14.536 1.00 0.00 C ATOM 233 CG1 ILE A 198 -4.770 -0.366 -13.286 1.00 0.00 C ATOM 234 CG2 ILE A 198 -4.654 1.783 -14.492 1.00 0.00 C ATOM 235 CD1 ILE A 198 -5.519 -1.692 -13.131 1.00 0.00 C ATOM 0 H ILE A 198 -6.399 -0.419 -16.464 1.00 0.00 H new ATOM 0 HA ILE A 198 -7.185 -0.135 -13.657 1.00 0.00 H new ATOM 0 HB ILE A 198 -4.923 -0.126 -15.453 1.00 0.00 H new ATOM 0 HG12 ILE A 198 -3.698 -0.551 -13.351 1.00 0.00 H new ATOM 0 HG13 ILE A 198 -4.933 0.257 -12.407 1.00 0.00 H new ATOM 0 HG21 ILE A 198 -3.566 1.722 -14.492 1.00 0.00 H new ATOM 0 HG22 ILE A 198 -4.986 2.344 -15.366 1.00 0.00 H new ATOM 0 HG23 ILE A 198 -4.989 2.290 -13.587 1.00 0.00 H new ATOM 0 HD11 ILE A 198 -5.169 -2.205 -12.235 1.00 0.00 H new ATOM 0 HD12 ILE A 198 -6.588 -1.498 -13.044 1.00 0.00 H new ATOM 0 HD13 ILE A 198 -5.334 -2.319 -14.003 1.00 0.00 H new ATOM 247 N ARG A 199 -6.965 2.611 -15.422 1.00 0.00 N ATOM 248 CA ARG A 199 -7.499 3.991 -15.455 1.00 0.00 C ATOM 249 C ARG A 199 -9.022 3.917 -15.392 1.00 0.00 C ATOM 250 O ARG A 199 -9.677 4.771 -14.833 1.00 0.00 O ATOM 251 CB ARG A 199 -7.026 4.568 -16.791 1.00 0.00 C ATOM 252 CG ARG A 199 -7.742 5.892 -17.059 1.00 0.00 C ATOM 253 CD ARG A 199 -8.883 5.664 -18.053 1.00 0.00 C ATOM 254 NE ARG A 199 -8.325 6.064 -19.374 1.00 0.00 N ATOM 255 CZ ARG A 199 -8.457 5.273 -20.404 1.00 0.00 C ATOM 256 NH1 ARG A 199 -9.644 5.018 -20.884 1.00 0.00 N ATOM 257 NH2 ARG A 199 -7.402 4.736 -20.955 1.00 0.00 N ATOM 0 H ARG A 199 -6.287 2.386 -16.150 1.00 0.00 H new ATOM 0 HA ARG A 199 -7.162 4.611 -14.624 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -5.947 4.724 -16.770 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -7.231 3.863 -17.596 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -8.133 6.301 -16.127 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -7.039 6.623 -17.458 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -9.201 4.621 -18.058 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -9.757 6.262 -17.796 1.00 0.00 H new ATOM 0 HE ARG A 199 -7.840 6.956 -19.474 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -10.469 5.437 -20.454 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -9.747 4.400 -21.689 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -6.474 4.935 -20.581 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -7.506 4.118 -21.760 1.00 0.00 H new ATOM 271 N GLU A 200 -9.586 2.875 -15.946 1.00 0.00 N ATOM 272 CA GLU A 200 -11.066 2.711 -15.905 1.00 0.00 C ATOM 273 C GLU A 200 -11.522 2.568 -14.476 1.00 0.00 C ATOM 274 O GLU A 200 -12.519 3.136 -14.078 1.00 0.00 O ATOM 275 CB GLU A 200 -11.359 1.443 -16.705 1.00 0.00 C ATOM 276 CG GLU A 200 -11.623 1.813 -18.167 1.00 0.00 C ATOM 277 CD GLU A 200 -13.088 1.535 -18.508 1.00 0.00 C ATOM 278 OE1 GLU A 200 -13.898 2.430 -18.323 1.00 0.00 O ATOM 279 OE2 GLU A 200 -13.377 0.434 -18.947 1.00 0.00 O ATOM 0 H GLU A 200 -9.082 2.129 -16.426 1.00 0.00 H new ATOM 0 HA GLU A 200 -11.592 3.569 -16.323 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -10.516 0.755 -16.639 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -12.224 0.928 -16.287 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -11.393 2.865 -18.334 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -10.970 1.236 -18.823 1.00 0.00 H new ATOM 286 N TYR A 201 -10.810 1.840 -13.686 1.00 0.00 N ATOM 287 CA TYR A 201 -11.249 1.724 -12.291 1.00 0.00 C ATOM 288 C TYR A 201 -10.586 2.821 -11.476 1.00 0.00 C ATOM 289 O TYR A 201 -11.220 3.767 -11.053 1.00 0.00 O ATOM 290 CB TYR A 201 -10.790 0.352 -11.807 1.00 0.00 C ATOM 291 CG TYR A 201 -11.761 -0.183 -10.781 1.00 0.00 C ATOM 292 CD1 TYR A 201 -13.140 -0.045 -10.977 1.00 0.00 C ATOM 293 CD2 TYR A 201 -11.278 -0.819 -9.631 1.00 0.00 C ATOM 294 CE1 TYR A 201 -14.036 -0.542 -10.023 1.00 0.00 C ATOM 295 CE2 TYR A 201 -12.172 -1.316 -8.678 1.00 0.00 C ATOM 296 CZ TYR A 201 -13.552 -1.178 -8.873 1.00 0.00 C ATOM 297 OH TYR A 201 -14.434 -1.668 -7.932 1.00 0.00 O ATOM 0 H TYR A 201 -9.963 1.331 -13.938 1.00 0.00 H new ATOM 0 HA TYR A 201 -12.329 1.826 -12.190 1.00 0.00 H new ATOM 0 HB2 TYR A 201 -10.722 -0.336 -12.649 1.00 0.00 H new ATOM 0 HB3 TYR A 201 -9.793 0.425 -11.373 1.00 0.00 H new ATOM 0 HD1 TYR A 201 -13.513 0.445 -11.864 1.00 0.00 H new ATOM 0 HD2 TYR A 201 -10.214 -0.926 -9.480 1.00 0.00 H new ATOM 0 HE1 TYR A 201 -15.100 -0.435 -10.174 1.00 0.00 H new ATOM 0 HE2 TYR A 201 -11.798 -1.806 -7.791 1.00 0.00 H new ATOM 0 HH TYR A 201 -13.933 -2.080 -7.197 1.00 0.00 H new ATOM 307 N PHE A 202 -9.305 2.708 -11.271 1.00 0.00 N ATOM 308 CA PHE A 202 -8.592 3.747 -10.499 1.00 0.00 C ATOM 309 C PHE A 202 -8.869 5.109 -11.128 1.00 0.00 C ATOM 310 O PHE A 202 -9.374 6.014 -10.486 1.00 0.00 O ATOM 311 CB PHE A 202 -7.107 3.381 -10.600 1.00 0.00 C ATOM 312 CG PHE A 202 -6.840 2.099 -9.852 1.00 0.00 C ATOM 313 CD1 PHE A 202 -6.911 2.069 -8.454 1.00 0.00 C ATOM 314 CD2 PHE A 202 -6.514 0.940 -10.562 1.00 0.00 C ATOM 315 CE1 PHE A 202 -6.653 0.876 -7.767 1.00 0.00 C ATOM 316 CE2 PHE A 202 -6.255 -0.253 -9.875 1.00 0.00 C ATOM 317 CZ PHE A 202 -6.326 -0.284 -8.478 1.00 0.00 C ATOM 0 H PHE A 202 -8.725 1.939 -11.607 1.00 0.00 H new ATOM 0 HA PHE A 202 -8.909 3.798 -9.457 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -6.822 3.267 -11.646 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -6.497 4.185 -10.189 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -7.164 2.965 -7.906 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -6.462 0.964 -11.640 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -6.706 0.851 -6.689 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -6.001 -1.148 -10.423 1.00 0.00 H new ATOM 0 HZ PHE A 202 -6.128 -1.204 -7.948 1.00 0.00 H new ATOM 327 N GLY A 203 -8.589 5.257 -12.395 1.00 0.00 N ATOM 328 CA GLY A 203 -8.891 6.548 -13.052 1.00 0.00 C ATOM 329 C GLY A 203 -10.371 6.831 -12.816 1.00 0.00 C ATOM 330 O GLY A 203 -10.822 7.958 -12.844 1.00 0.00 O ATOM 0 H GLY A 203 -8.169 4.545 -12.993 1.00 0.00 H new ATOM 0 HA2 GLY A 203 -8.275 7.346 -12.637 1.00 0.00 H new ATOM 0 HA3 GLY A 203 -8.673 6.499 -14.119 1.00 0.00 H new ATOM 334 N GLY A 204 -11.126 5.791 -12.554 1.00 0.00 N ATOM 335 CA GLY A 204 -12.576 5.958 -12.281 1.00 0.00 C ATOM 336 C GLY A 204 -12.746 6.702 -10.959 1.00 0.00 C ATOM 337 O GLY A 204 -13.509 7.644 -10.865 1.00 0.00 O ATOM 0 H GLY A 204 -10.791 4.828 -12.519 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -13.051 6.513 -13.090 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -13.065 4.985 -12.232 1.00 0.00 H new ATOM 341 N PHE A 205 -12.034 6.305 -9.934 1.00 0.00 N ATOM 342 CA PHE A 205 -12.171 7.031 -8.638 1.00 0.00 C ATOM 343 C PHE A 205 -11.869 8.507 -8.876 1.00 0.00 C ATOM 344 O PHE A 205 -12.404 9.385 -8.228 1.00 0.00 O ATOM 345 CB PHE A 205 -11.127 6.415 -7.708 1.00 0.00 C ATOM 346 CG PHE A 205 -11.542 5.012 -7.343 1.00 0.00 C ATOM 347 CD1 PHE A 205 -11.213 3.948 -8.186 1.00 0.00 C ATOM 348 CD2 PHE A 205 -12.254 4.779 -6.163 1.00 0.00 C ATOM 349 CE1 PHE A 205 -11.598 2.644 -7.850 1.00 0.00 C ATOM 350 CE2 PHE A 205 -12.640 3.478 -5.824 1.00 0.00 C ATOM 351 CZ PHE A 205 -12.312 2.409 -6.668 1.00 0.00 C ATOM 0 H PHE A 205 -11.377 5.525 -9.938 1.00 0.00 H new ATOM 0 HA PHE A 205 -13.171 6.951 -8.211 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -10.153 6.402 -8.196 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -11.024 7.021 -6.808 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.662 4.131 -9.097 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -12.506 5.604 -5.513 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -11.345 1.821 -8.501 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -13.190 3.298 -4.912 1.00 0.00 H new ATOM 0 HZ PHE A 205 -12.610 1.404 -6.407 1.00 0.00 H new ATOM 361 N GLY A 206 -11.009 8.773 -9.818 1.00 0.00 N ATOM 362 CA GLY A 206 -10.643 10.178 -10.142 1.00 0.00 C ATOM 363 C GLY A 206 -9.600 10.154 -11.255 1.00 0.00 C ATOM 364 O GLY A 206 -8.751 9.285 -11.290 1.00 0.00 O ATOM 0 H GLY A 206 -10.538 8.067 -10.384 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -11.524 10.737 -10.458 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -10.246 10.681 -9.260 1.00 0.00 H new ATOM 368 N GLU A 207 -9.653 11.080 -12.172 1.00 0.00 N ATOM 369 CA GLU A 207 -8.651 11.073 -13.275 1.00 0.00 C ATOM 370 C GLU A 207 -7.263 10.774 -12.712 1.00 0.00 C ATOM 371 O GLU A 207 -6.923 11.177 -11.618 1.00 0.00 O ATOM 372 CB GLU A 207 -8.696 12.471 -13.889 1.00 0.00 C ATOM 373 CG GLU A 207 -8.611 13.524 -12.782 1.00 0.00 C ATOM 374 CD GLU A 207 -10.011 14.055 -12.471 1.00 0.00 C ATOM 375 OE1 GLU A 207 -10.968 13.362 -12.775 1.00 0.00 O ATOM 376 OE2 GLU A 207 -10.104 15.148 -11.935 1.00 0.00 O ATOM 0 H GLU A 207 -10.339 11.834 -12.206 1.00 0.00 H new ATOM 0 HA GLU A 207 -8.869 10.309 -14.021 1.00 0.00 H new ATOM 0 HB2 GLU A 207 -7.870 12.598 -14.589 1.00 0.00 H new ATOM 0 HB3 GLU A 207 -9.618 12.600 -14.457 1.00 0.00 H new ATOM 0 HG2 GLU A 207 -8.169 13.089 -11.886 1.00 0.00 H new ATOM 0 HG3 GLU A 207 -7.962 14.342 -13.093 1.00 0.00 H new ATOM 383 N VAL A 208 -6.469 10.051 -13.444 1.00 0.00 N ATOM 384 CA VAL A 208 -5.116 9.698 -12.954 1.00 0.00 C ATOM 385 C VAL A 208 -4.048 10.522 -13.666 1.00 0.00 C ATOM 386 O VAL A 208 -4.212 10.931 -14.798 1.00 0.00 O ATOM 387 CB VAL A 208 -4.964 8.221 -13.326 1.00 0.00 C ATOM 388 CG1 VAL A 208 -3.481 7.829 -13.328 1.00 0.00 C ATOM 389 CG2 VAL A 208 -5.726 7.364 -12.317 1.00 0.00 C ATOM 0 H VAL A 208 -6.703 9.687 -14.368 1.00 0.00 H new ATOM 0 HA VAL A 208 -4.999 9.889 -11.887 1.00 0.00 H new ATOM 0 HB VAL A 208 -5.372 8.057 -14.324 1.00 0.00 H new ATOM 0 HG11 VAL A 208 -3.383 6.776 -13.594 1.00 0.00 H new ATOM 0 HG12 VAL A 208 -2.945 8.438 -14.055 1.00 0.00 H new ATOM 0 HG13 VAL A 208 -3.060 7.993 -12.336 1.00 0.00 H new ATOM 0 HG21 VAL A 208 -5.619 6.312 -12.580 1.00 0.00 H new ATOM 0 HG22 VAL A 208 -5.322 7.532 -11.319 1.00 0.00 H new ATOM 0 HG23 VAL A 208 -6.781 7.637 -12.332 1.00 0.00 H new ATOM 399 N GLU A 209 -2.929 10.714 -13.030 1.00 0.00 N ATOM 400 CA GLU A 209 -1.827 11.447 -13.692 1.00 0.00 C ATOM 401 C GLU A 209 -1.019 10.402 -14.447 1.00 0.00 C ATOM 402 O GLU A 209 -0.889 10.448 -15.654 1.00 0.00 O ATOM 403 CB GLU A 209 -1.003 12.071 -12.562 1.00 0.00 C ATOM 404 CG GLU A 209 0.022 13.041 -13.155 1.00 0.00 C ATOM 405 CD GLU A 209 0.592 13.926 -12.046 1.00 0.00 C ATOM 406 OE1 GLU A 209 -0.055 14.903 -11.703 1.00 0.00 O ATOM 407 OE2 GLU A 209 1.665 13.613 -11.558 1.00 0.00 O ATOM 0 H GLU A 209 -2.733 10.394 -12.081 1.00 0.00 H new ATOM 0 HA GLU A 209 -2.153 12.224 -14.383 1.00 0.00 H new ATOM 0 HB2 GLU A 209 -1.658 12.597 -11.867 1.00 0.00 H new ATOM 0 HB3 GLU A 209 -0.496 11.291 -11.994 1.00 0.00 H new ATOM 0 HG2 GLU A 209 0.825 12.486 -13.640 1.00 0.00 H new ATOM 0 HG3 GLU A 209 -0.447 13.658 -13.921 1.00 0.00 H new ATOM 414 N SER A 210 -0.528 9.421 -13.742 1.00 0.00 N ATOM 415 CA SER A 210 0.212 8.329 -14.405 1.00 0.00 C ATOM 416 C SER A 210 0.079 7.085 -13.541 1.00 0.00 C ATOM 417 O SER A 210 -0.390 7.156 -12.425 1.00 0.00 O ATOM 418 CB SER A 210 1.663 8.797 -14.489 1.00 0.00 C ATOM 419 OG SER A 210 1.906 9.348 -15.776 1.00 0.00 O ATOM 0 H SER A 210 -0.612 9.335 -12.729 1.00 0.00 H new ATOM 0 HA SER A 210 -0.162 8.093 -15.401 1.00 0.00 H new ATOM 0 HB2 SER A 210 1.862 9.542 -13.719 1.00 0.00 H new ATOM 0 HB3 SER A 210 2.338 7.961 -14.306 1.00 0.00 H new ATOM 0 HG SER A 210 1.115 9.845 -16.074 1.00 0.00 H new ATOM 425 N ILE A 211 0.486 5.952 -14.016 1.00 0.00 N ATOM 426 CA ILE A 211 0.374 4.745 -13.163 1.00 0.00 C ATOM 427 C ILE A 211 1.751 4.163 -12.903 1.00 0.00 C ATOM 428 O ILE A 211 2.766 4.760 -13.206 1.00 0.00 O ATOM 429 CB ILE A 211 -0.472 3.741 -13.931 1.00 0.00 C ATOM 430 CG1 ILE A 211 0.210 3.392 -15.256 1.00 0.00 C ATOM 431 CG2 ILE A 211 -1.850 4.333 -14.202 1.00 0.00 C ATOM 432 CD1 ILE A 211 -0.582 2.290 -15.963 1.00 0.00 C ATOM 0 H ILE A 211 0.886 5.807 -14.943 1.00 0.00 H new ATOM 0 HA ILE A 211 -0.078 4.988 -12.201 1.00 0.00 H new ATOM 0 HB ILE A 211 -0.580 2.834 -13.336 1.00 0.00 H new ATOM 0 HG12 ILE A 211 0.269 4.276 -15.891 1.00 0.00 H new ATOM 0 HG13 ILE A 211 1.232 3.061 -15.075 1.00 0.00 H new ATOM 0 HG21 ILE A 211 -2.454 3.612 -14.752 1.00 0.00 H new ATOM 0 HG22 ILE A 211 -2.338 4.568 -13.256 1.00 0.00 H new ATOM 0 HG23 ILE A 211 -1.745 5.244 -14.792 1.00 0.00 H new ATOM 0 HD11 ILE A 211 -0.097 2.041 -16.907 1.00 0.00 H new ATOM 0 HD12 ILE A 211 -0.618 1.404 -15.329 1.00 0.00 H new ATOM 0 HD13 ILE A 211 -1.596 2.639 -16.158 1.00 0.00 H new ATOM 444 N GLU A 212 1.788 2.995 -12.351 1.00 0.00 N ATOM 445 CA GLU A 212 3.090 2.342 -12.068 1.00 0.00 C ATOM 446 C GLU A 212 2.916 0.829 -12.117 1.00 0.00 C ATOM 447 O GLU A 212 2.122 0.269 -11.397 1.00 0.00 O ATOM 448 CB GLU A 212 3.460 2.795 -10.656 1.00 0.00 C ATOM 449 CG GLU A 212 4.567 1.889 -10.108 1.00 0.00 C ATOM 450 CD GLU A 212 5.398 2.659 -9.080 1.00 0.00 C ATOM 451 OE1 GLU A 212 5.708 3.810 -9.339 1.00 0.00 O ATOM 452 OE2 GLU A 212 5.709 2.084 -8.050 1.00 0.00 O ATOM 0 H GLU A 212 0.966 2.456 -12.079 1.00 0.00 H new ATOM 0 HA GLU A 212 3.862 2.606 -12.790 1.00 0.00 H new ATOM 0 HB2 GLU A 212 3.796 3.832 -10.671 1.00 0.00 H new ATOM 0 HB3 GLU A 212 2.585 2.753 -10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 212 4.131 1.003 -9.648 1.00 0.00 H new ATOM 0 HG3 GLU A 212 5.205 1.544 -10.922 1.00 0.00 H new ATOM 459 N LEU A 213 3.635 0.150 -12.953 1.00 0.00 N ATOM 460 CA LEU A 213 3.461 -1.322 -12.999 1.00 0.00 C ATOM 461 C LEU A 213 4.548 -2.000 -12.188 1.00 0.00 C ATOM 462 O LEU A 213 5.446 -1.348 -11.693 1.00 0.00 O ATOM 463 CB LEU A 213 3.567 -1.708 -14.465 1.00 0.00 C ATOM 464 CG LEU A 213 2.209 -1.521 -15.158 1.00 0.00 C ATOM 465 CD1 LEU A 213 1.078 -2.029 -14.255 1.00 0.00 C ATOM 466 CD2 LEU A 213 1.991 -0.035 -15.447 1.00 0.00 C ATOM 0 H LEU A 213 4.324 0.539 -13.597 1.00 0.00 H new ATOM 0 HA LEU A 213 2.504 -1.630 -12.577 1.00 0.00 H new ATOM 0 HB2 LEU A 213 4.323 -1.096 -14.957 1.00 0.00 H new ATOM 0 HB3 LEU A 213 3.890 -2.745 -14.554 1.00 0.00 H new ATOM 0 HG LEU A 213 2.204 -2.088 -16.089 1.00 0.00 H new ATOM 0 HD11 LEU A 213 0.121 -1.891 -14.758 1.00 0.00 H new ATOM 0 HD12 LEU A 213 1.228 -3.088 -14.045 1.00 0.00 H new ATOM 0 HD13 LEU A 213 1.080 -1.470 -13.319 1.00 0.00 H new ATOM 0 HD21 LEU A 213 1.028 0.103 -15.939 1.00 0.00 H new ATOM 0 HD22 LEU A 213 2.003 0.523 -14.511 1.00 0.00 H new ATOM 0 HD23 LEU A 213 2.786 0.330 -16.097 1.00 0.00 H new ATOM 478 N PRO A 214 4.427 -3.292 -12.047 1.00 0.00 N ATOM 479 CA PRO A 214 5.406 -4.029 -11.257 1.00 0.00 C ATOM 480 C PRO A 214 6.781 -4.001 -11.933 1.00 0.00 C ATOM 481 O PRO A 214 7.093 -3.098 -12.684 1.00 0.00 O ATOM 482 CB PRO A 214 4.819 -5.444 -11.209 1.00 0.00 C ATOM 483 CG PRO A 214 3.488 -5.441 -11.983 1.00 0.00 C ATOM 484 CD PRO A 214 3.322 -4.073 -12.652 1.00 0.00 C ATOM 0 HA PRO A 214 5.570 -3.612 -10.263 1.00 0.00 H new ATOM 0 HB2 PRO A 214 5.514 -6.159 -11.651 1.00 0.00 H new ATOM 0 HB3 PRO A 214 4.657 -5.753 -10.176 1.00 0.00 H new ATOM 0 HG2 PRO A 214 3.483 -6.233 -12.732 1.00 0.00 H new ATOM 0 HG3 PRO A 214 2.656 -5.636 -11.307 1.00 0.00 H new ATOM 0 HD2 PRO A 214 3.414 -4.136 -13.736 1.00 0.00 H new ATOM 0 HD3 PRO A 214 2.348 -3.632 -12.440 1.00 0.00 H new ATOM 662 N PHE A 225 4.396 -6.150 -7.255 1.00 0.00 N ATOM 663 CA PHE A 225 3.044 -5.499 -7.238 1.00 0.00 C ATOM 664 C PHE A 225 2.962 -4.414 -8.311 1.00 0.00 C ATOM 665 O PHE A 225 3.896 -4.179 -9.045 1.00 0.00 O ATOM 666 CB PHE A 225 2.873 -4.877 -5.843 1.00 0.00 C ATOM 667 CG PHE A 225 4.181 -4.315 -5.333 1.00 0.00 C ATOM 668 CD1 PHE A 225 4.980 -3.521 -6.164 1.00 0.00 C ATOM 669 CD2 PHE A 225 4.593 -4.591 -4.023 1.00 0.00 C ATOM 670 CE1 PHE A 225 6.190 -3.004 -5.686 1.00 0.00 C ATOM 671 CE2 PHE A 225 5.802 -4.075 -3.546 1.00 0.00 C ATOM 672 CZ PHE A 225 6.601 -3.281 -4.378 1.00 0.00 C ATOM 0 HA PHE A 225 2.258 -6.226 -7.445 1.00 0.00 H new ATOM 0 HB2 PHE A 225 2.125 -4.085 -5.884 1.00 0.00 H new ATOM 0 HB3 PHE A 225 2.502 -5.631 -5.148 1.00 0.00 H new ATOM 0 HD1 PHE A 225 4.663 -3.307 -7.174 1.00 0.00 H new ATOM 0 HD2 PHE A 225 3.977 -5.203 -3.381 1.00 0.00 H new ATOM 0 HE1 PHE A 225 6.806 -2.391 -6.327 1.00 0.00 H new ATOM 0 HE2 PHE A 225 6.119 -4.289 -2.536 1.00 0.00 H new ATOM 0 HZ PHE A 225 7.535 -2.882 -4.010 1.00 0.00 H new ATOM 682 N CYS A 226 1.845 -3.756 -8.406 1.00 0.00 N ATOM 683 CA CYS A 226 1.684 -2.684 -9.436 1.00 0.00 C ATOM 684 C CYS A 226 1.102 -1.416 -8.778 1.00 0.00 C ATOM 685 O CYS A 226 0.000 -1.440 -8.269 1.00 0.00 O ATOM 686 CB CYS A 226 0.675 -3.244 -10.456 1.00 0.00 C ATOM 687 SG CYS A 226 -0.520 -4.357 -9.666 1.00 0.00 S ATOM 0 H CYS A 226 1.029 -3.911 -7.814 1.00 0.00 H new ATOM 0 HA CYS A 226 2.633 -2.419 -9.901 1.00 0.00 H new ATOM 0 HB2 CYS A 226 0.145 -2.421 -10.935 1.00 0.00 H new ATOM 0 HB3 CYS A 226 1.209 -3.780 -11.241 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.352 -4.804 -10.559 1.00 0.00 H new ATOM 693 N PHE A 227 1.806 -0.309 -8.788 1.00 0.00 N ATOM 694 CA PHE A 227 1.231 0.930 -8.162 1.00 0.00 C ATOM 695 C PHE A 227 0.573 1.804 -9.231 1.00 0.00 C ATOM 696 O PHE A 227 0.445 1.432 -10.377 1.00 0.00 O ATOM 697 CB PHE A 227 2.394 1.730 -7.543 1.00 0.00 C ATOM 698 CG PHE A 227 2.929 1.088 -6.280 1.00 0.00 C ATOM 699 CD1 PHE A 227 3.124 -0.298 -6.194 1.00 0.00 C ATOM 700 CD2 PHE A 227 3.260 1.908 -5.190 1.00 0.00 C ATOM 701 CE1 PHE A 227 3.647 -0.859 -5.022 1.00 0.00 C ATOM 702 CE2 PHE A 227 3.780 1.346 -4.018 1.00 0.00 C ATOM 703 CZ PHE A 227 3.975 -0.038 -3.934 1.00 0.00 C ATOM 0 H PHE A 227 2.736 -0.207 -9.193 1.00 0.00 H new ATOM 0 HA PHE A 227 0.490 0.651 -7.413 1.00 0.00 H new ATOM 0 HB2 PHE A 227 3.200 1.818 -8.272 1.00 0.00 H new ATOM 0 HB3 PHE A 227 2.056 2.742 -7.318 1.00 0.00 H new ATOM 0 HD1 PHE A 227 2.871 -0.932 -7.031 1.00 0.00 H new ATOM 0 HD2 PHE A 227 3.113 2.976 -5.256 1.00 0.00 H new ATOM 0 HE1 PHE A 227 3.798 -1.926 -4.956 1.00 0.00 H new ATOM 0 HE2 PHE A 227 4.030 1.979 -3.180 1.00 0.00 H new ATOM 0 HZ PHE A 227 4.378 -0.473 -3.031 1.00 0.00 H new ATOM 713 N ILE A 228 0.185 2.981 -8.844 1.00 0.00 N ATOM 714 CA ILE A 228 -0.439 3.944 -9.791 1.00 0.00 C ATOM 715 C ILE A 228 -0.395 5.326 -9.129 1.00 0.00 C ATOM 716 O ILE A 228 -0.648 5.444 -7.947 1.00 0.00 O ATOM 717 CB ILE A 228 -1.885 3.476 -9.970 1.00 0.00 C ATOM 718 CG1 ILE A 228 -1.907 2.261 -10.914 1.00 0.00 C ATOM 719 CG2 ILE A 228 -2.714 4.626 -10.553 1.00 0.00 C ATOM 720 CD1 ILE A 228 -3.238 2.188 -11.671 1.00 0.00 C ATOM 0 H ILE A 228 0.275 3.326 -7.888 1.00 0.00 H new ATOM 0 HA ILE A 228 0.065 3.996 -10.756 1.00 0.00 H new ATOM 0 HB ILE A 228 -2.312 3.184 -9.010 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -1.083 2.330 -11.624 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -1.758 1.346 -10.341 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.746 4.301 -10.684 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -2.685 5.477 -9.872 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.301 4.919 -11.518 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -3.233 1.322 -12.333 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -4.057 2.095 -10.958 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -3.371 3.095 -12.261 1.00 0.00 H new ATOM 732 N THR A 229 -0.067 6.374 -9.836 1.00 0.00 N ATOM 733 CA THR A 229 -0.012 7.698 -9.158 1.00 0.00 C ATOM 734 C THR A 229 -1.104 8.606 -9.690 1.00 0.00 C ATOM 735 O THR A 229 -1.464 8.556 -10.850 1.00 0.00 O ATOM 736 CB THR A 229 1.372 8.268 -9.482 1.00 0.00 C ATOM 737 OG1 THR A 229 1.639 9.364 -8.620 1.00 0.00 O ATOM 738 CG2 THR A 229 1.410 8.742 -10.936 1.00 0.00 C ATOM 0 H THR A 229 0.160 6.372 -10.830 1.00 0.00 H new ATOM 0 HA THR A 229 -0.167 7.612 -8.083 1.00 0.00 H new ATOM 0 HB THR A 229 2.126 7.494 -9.338 1.00 0.00 H new ATOM 0 HG1 THR A 229 2.525 9.731 -8.822 1.00 0.00 H new ATOM 0 HG21 THR A 229 2.397 9.147 -11.161 1.00 0.00 H new ATOM 0 HG22 THR A 229 1.203 7.901 -11.598 1.00 0.00 H new ATOM 0 HG23 THR A 229 0.658 9.516 -11.086 1.00 0.00 H new ATOM 746 N PHE A 230 -1.634 9.442 -8.853 1.00 0.00 N ATOM 747 CA PHE A 230 -2.712 10.358 -9.341 1.00 0.00 C ATOM 748 C PHE A 230 -2.230 11.806 -9.411 1.00 0.00 C ATOM 749 O PHE A 230 -1.049 12.091 -9.385 1.00 0.00 O ATOM 750 CB PHE A 230 -3.868 10.244 -8.352 1.00 0.00 C ATOM 751 CG PHE A 230 -4.665 8.993 -8.643 1.00 0.00 C ATOM 752 CD1 PHE A 230 -4.249 7.755 -8.135 1.00 0.00 C ATOM 753 CD2 PHE A 230 -5.830 9.075 -9.416 1.00 0.00 C ATOM 754 CE1 PHE A 230 -4.998 6.602 -8.401 1.00 0.00 C ATOM 755 CE2 PHE A 230 -6.578 7.921 -9.678 1.00 0.00 C ATOM 756 CZ PHE A 230 -6.162 6.686 -9.171 1.00 0.00 C ATOM 0 H PHE A 230 -1.380 9.537 -7.870 1.00 0.00 H new ATOM 0 HA PHE A 230 -3.014 10.075 -10.349 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -3.485 10.214 -7.332 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -4.510 11.122 -8.426 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -3.351 7.690 -7.539 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -6.151 10.028 -9.810 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -4.676 5.648 -8.011 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -7.477 7.985 -10.272 1.00 0.00 H new ATOM 0 HZ PHE A 230 -6.740 5.797 -9.374 1.00 0.00 H new ATOM 766 N LYS A 231 -3.154 12.716 -9.525 1.00 0.00 N ATOM 767 CA LYS A 231 -2.805 14.155 -9.631 1.00 0.00 C ATOM 768 C LYS A 231 -3.218 14.913 -8.364 1.00 0.00 C ATOM 769 O LYS A 231 -2.394 15.425 -7.635 1.00 0.00 O ATOM 770 CB LYS A 231 -3.637 14.612 -10.825 1.00 0.00 C ATOM 771 CG LYS A 231 -3.852 16.128 -10.780 1.00 0.00 C ATOM 772 CD LYS A 231 -4.478 16.589 -12.097 1.00 0.00 C ATOM 773 CE LYS A 231 -4.927 18.047 -11.972 1.00 0.00 C ATOM 774 NZ LYS A 231 -4.833 18.595 -13.354 1.00 0.00 N ATOM 0 H LYS A 231 -4.154 12.518 -9.549 1.00 0.00 H new ATOM 0 HA LYS A 231 -1.736 14.333 -9.748 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -3.134 14.337 -11.752 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -4.600 14.102 -10.821 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -4.501 16.390 -9.944 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -2.902 16.637 -10.618 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -3.757 16.489 -12.908 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -5.330 15.956 -12.347 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -5.945 18.116 -11.588 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -4.288 18.600 -11.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -5.125 19.593 -13.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -3.852 18.522 -13.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -5.457 18.053 -13.986 1.00 0.00 H new ATOM 788 N GLU A 232 -4.497 15.002 -8.112 1.00 0.00 N ATOM 789 CA GLU A 232 -4.976 15.743 -6.906 1.00 0.00 C ATOM 790 C GLU A 232 -4.540 15.034 -5.623 1.00 0.00 C ATOM 791 O GLU A 232 -3.733 15.547 -4.883 1.00 0.00 O ATOM 792 CB GLU A 232 -6.502 15.744 -7.020 1.00 0.00 C ATOM 793 CG GLU A 232 -6.910 16.091 -8.451 1.00 0.00 C ATOM 794 CD GLU A 232 -8.295 16.740 -8.445 1.00 0.00 C ATOM 795 OE1 GLU A 232 -8.419 17.823 -7.897 1.00 0.00 O ATOM 796 OE2 GLU A 232 -9.211 16.141 -8.985 1.00 0.00 O ATOM 0 H GLU A 232 -5.232 14.594 -8.689 1.00 0.00 H new ATOM 0 HA GLU A 232 -4.564 16.751 -6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 232 -6.898 14.766 -6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 232 -6.928 16.467 -6.324 1.00 0.00 H new ATOM 0 HG2 GLU A 232 -6.181 16.770 -8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 232 -6.921 15.191 -9.065 1.00 0.00 H new ATOM 803 N GLU A 233 -5.084 13.862 -5.369 1.00 0.00 N ATOM 804 CA GLU A 233 -4.757 13.049 -4.132 1.00 0.00 C ATOM 805 C GLU A 233 -6.026 12.267 -3.737 1.00 0.00 C ATOM 806 O GLU A 233 -5.988 11.200 -3.144 1.00 0.00 O ATOM 807 CB GLU A 233 -4.439 14.049 -3.009 1.00 0.00 C ATOM 808 CG GLU A 233 -5.512 15.143 -2.966 1.00 0.00 C ATOM 809 CD GLU A 233 -4.848 16.509 -2.786 1.00 0.00 C ATOM 810 OE1 GLU A 233 -3.714 16.539 -2.338 1.00 0.00 O ATOM 811 OE2 GLU A 233 -5.485 17.501 -3.100 1.00 0.00 O ATOM 0 H GLU A 233 -5.764 13.416 -5.985 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.924 12.368 -4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -4.396 13.532 -2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -3.458 14.495 -3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -6.096 15.130 -3.887 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -6.205 14.954 -2.146 1.00 0.00 H new ATOM 818 N GLU A 234 -7.158 12.843 -4.058 1.00 0.00 N ATOM 819 CA GLU A 234 -8.482 12.238 -3.725 1.00 0.00 C ATOM 820 C GLU A 234 -8.653 10.800 -4.243 1.00 0.00 C ATOM 821 O GLU A 234 -9.149 9.959 -3.519 1.00 0.00 O ATOM 822 CB GLU A 234 -9.500 13.159 -4.398 1.00 0.00 C ATOM 823 CG GLU A 234 -10.044 14.157 -3.373 1.00 0.00 C ATOM 824 CD GLU A 234 -11.326 14.793 -3.913 1.00 0.00 C ATOM 825 OE1 GLU A 234 -11.268 15.376 -4.983 1.00 0.00 O ATOM 826 OE2 GLU A 234 -12.343 14.687 -3.247 1.00 0.00 O ATOM 0 H GLU A 234 -7.219 13.734 -4.552 1.00 0.00 H new ATOM 0 HA GLU A 234 -8.600 12.160 -2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -9.032 13.691 -5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -10.316 12.571 -4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -10.246 13.651 -2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -9.301 14.928 -3.170 1.00 0.00 H new ATOM 833 N PRO A 235 -8.280 10.539 -5.477 1.00 0.00 N ATOM 834 CA PRO A 235 -8.462 9.178 -6.025 1.00 0.00 C ATOM 835 C PRO A 235 -7.875 8.136 -5.073 1.00 0.00 C ATOM 836 O PRO A 235 -8.266 6.985 -5.081 1.00 0.00 O ATOM 837 CB PRO A 235 -7.734 9.249 -7.368 1.00 0.00 C ATOM 838 CG PRO A 235 -7.190 10.680 -7.553 1.00 0.00 C ATOM 839 CD PRO A 235 -7.651 11.542 -6.369 1.00 0.00 C ATOM 0 HA PRO A 235 -9.502 8.876 -6.147 1.00 0.00 H new ATOM 0 HB2 PRO A 235 -6.918 8.527 -7.395 1.00 0.00 H new ATOM 0 HB3 PRO A 235 -8.413 8.994 -8.181 1.00 0.00 H new ATOM 0 HG2 PRO A 235 -6.101 10.666 -7.608 1.00 0.00 H new ATOM 0 HG3 PRO A 235 -7.551 11.103 -8.491 1.00 0.00 H new ATOM 0 HD2 PRO A 235 -6.816 12.050 -5.886 1.00 0.00 H new ATOM 0 HD3 PRO A 235 -8.358 12.313 -6.677 1.00 0.00 H new ATOM 847 N VAL A 236 -6.975 8.537 -4.220 1.00 0.00 N ATOM 848 CA VAL A 236 -6.414 7.571 -3.238 1.00 0.00 C ATOM 849 C VAL A 236 -7.252 7.629 -1.977 1.00 0.00 C ATOM 850 O VAL A 236 -7.489 6.634 -1.329 1.00 0.00 O ATOM 851 CB VAL A 236 -4.997 8.034 -2.951 1.00 0.00 C ATOM 852 CG1 VAL A 236 -4.427 7.234 -1.786 1.00 0.00 C ATOM 853 CG2 VAL A 236 -4.151 7.798 -4.186 1.00 0.00 C ATOM 0 H VAL A 236 -6.606 9.486 -4.161 1.00 0.00 H new ATOM 0 HA VAL A 236 -6.417 6.547 -3.611 1.00 0.00 H new ATOM 0 HB VAL A 236 -4.996 9.093 -2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -3.410 7.566 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -5.045 7.388 -0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -4.418 6.175 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -3.129 8.126 -3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -4.152 6.736 -4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -4.563 8.362 -5.023 1.00 0.00 H new ATOM 863 N LYS A 237 -7.731 8.788 -1.634 1.00 0.00 N ATOM 864 CA LYS A 237 -8.589 8.880 -0.424 1.00 0.00 C ATOM 865 C LYS A 237 -9.631 7.780 -0.509 1.00 0.00 C ATOM 866 O LYS A 237 -9.865 7.032 0.421 1.00 0.00 O ATOM 867 CB LYS A 237 -9.293 10.227 -0.518 1.00 0.00 C ATOM 868 CG LYS A 237 -8.938 11.085 0.700 1.00 0.00 C ATOM 869 CD LYS A 237 -9.834 10.700 1.877 1.00 0.00 C ATOM 870 CE LYS A 237 -10.757 11.873 2.221 1.00 0.00 C ATOM 871 NZ LYS A 237 -11.600 11.383 3.346 1.00 0.00 N ATOM 0 H LYS A 237 -7.569 9.664 -2.130 1.00 0.00 H new ATOM 0 HA LYS A 237 -8.021 8.783 0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 237 -8.997 10.739 -1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 237 -10.372 10.081 -0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 237 -7.890 10.942 0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 237 -9.066 12.141 0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 237 -10.425 9.820 1.625 1.00 0.00 H new ATOM 0 HD3 LYS A 237 -9.224 10.437 2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 237 -10.184 12.754 2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 237 -11.368 12.158 1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 -12.259 12.132 3.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 -12.139 10.548 3.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 -10.992 11.125 4.149 1.00 0.00 H new ATOM 885 N LYS A 238 -10.256 7.687 -1.647 1.00 0.00 N ATOM 886 CA LYS A 238 -11.294 6.653 -1.837 1.00 0.00 C ATOM 887 C LYS A 238 -10.646 5.288 -1.977 1.00 0.00 C ATOM 888 O LYS A 238 -10.876 4.389 -1.192 1.00 0.00 O ATOM 889 CB LYS A 238 -11.998 7.009 -3.144 1.00 0.00 C ATOM 890 CG LYS A 238 -13.508 7.096 -2.910 1.00 0.00 C ATOM 891 CD LYS A 238 -14.064 8.326 -3.630 1.00 0.00 C ATOM 892 CE LYS A 238 -15.557 8.129 -3.905 1.00 0.00 C ATOM 893 NZ LYS A 238 -16.133 9.503 -3.884 1.00 0.00 N ATOM 0 H LYS A 238 -10.088 8.288 -2.454 1.00 0.00 H new ATOM 0 HA LYS A 238 -11.982 6.618 -0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -11.624 7.960 -3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -11.781 6.257 -3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -13.997 6.194 -3.278 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -13.719 7.160 -1.842 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -13.911 9.217 -3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -13.529 8.484 -4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -15.721 7.646 -4.868 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -16.018 7.495 -3.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -17.156 9.453 -4.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -15.967 9.935 -2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -15.679 10.081 -4.620 1.00 0.00 H new ATOM 907 N ILE A 239 -9.843 5.129 -2.987 1.00 0.00 N ATOM 908 CA ILE A 239 -9.180 3.820 -3.201 1.00 0.00 C ATOM 909 C ILE A 239 -8.664 3.286 -1.865 1.00 0.00 C ATOM 910 O ILE A 239 -9.138 2.293 -1.350 1.00 0.00 O ATOM 911 CB ILE A 239 -8.014 4.102 -4.148 1.00 0.00 C ATOM 912 CG1 ILE A 239 -8.551 4.320 -5.564 1.00 0.00 C ATOM 913 CG2 ILE A 239 -7.057 2.908 -4.144 1.00 0.00 C ATOM 914 CD1 ILE A 239 -9.133 3.010 -6.097 1.00 0.00 C ATOM 0 H ILE A 239 -9.618 5.849 -3.673 1.00 0.00 H new ATOM 0 HA ILE A 239 -9.859 3.074 -3.615 1.00 0.00 H new ATOM 0 HB ILE A 239 -7.483 4.995 -3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 239 -9.318 5.095 -5.558 1.00 0.00 H new ATOM 0 HG13 ILE A 239 -7.751 4.668 -6.218 1.00 0.00 H new ATOM 0 HG21 ILE A 239 -6.224 3.107 -4.819 1.00 0.00 H new ATOM 0 HG22 ILE A 239 -6.676 2.750 -3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 239 -7.588 2.015 -4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 239 -9.516 3.166 -7.106 1.00 0.00 H new ATOM 0 HD12 ILE A 239 -8.354 2.248 -6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 239 -9.945 2.682 -5.448 1.00 0.00 H new ATOM 926 N MET A 240 -7.700 3.951 -1.296 1.00 0.00 N ATOM 927 CA MET A 240 -7.155 3.498 0.014 1.00 0.00 C ATOM 928 C MET A 240 -8.296 3.089 0.955 1.00 0.00 C ATOM 929 O MET A 240 -8.231 2.071 1.615 1.00 0.00 O ATOM 930 CB MET A 240 -6.411 4.713 0.567 1.00 0.00 C ATOM 931 CG MET A 240 -5.744 4.345 1.892 1.00 0.00 C ATOM 932 SD MET A 240 -6.642 5.126 3.255 1.00 0.00 S ATOM 933 CE MET A 240 -6.728 3.672 4.328 1.00 0.00 C ATOM 0 H MET A 240 -7.265 4.789 -1.681 1.00 0.00 H new ATOM 0 HA MET A 240 -6.505 2.629 -0.086 1.00 0.00 H new ATOM 0 HB2 MET A 240 -5.661 5.050 -0.149 1.00 0.00 H new ATOM 0 HB3 MET A 240 -7.105 5.541 0.715 1.00 0.00 H new ATOM 0 HG2 MET A 240 -5.737 3.263 2.020 1.00 0.00 H new ATOM 0 HG3 MET A 240 -4.704 4.673 1.892 1.00 0.00 H new ATOM 0 HE1 MET A 240 -7.173 3.950 5.283 1.00 0.00 H new ATOM 0 HE2 MET A 240 -7.339 2.905 3.853 1.00 0.00 H new ATOM 0 HE3 MET A 240 -5.723 3.284 4.496 1.00 0.00 H new ATOM 943 N GLU A 241 -9.341 3.873 1.022 1.00 0.00 N ATOM 944 CA GLU A 241 -10.480 3.521 1.925 1.00 0.00 C ATOM 945 C GLU A 241 -11.064 2.155 1.543 1.00 0.00 C ATOM 946 O GLU A 241 -11.824 1.565 2.286 1.00 0.00 O ATOM 947 CB GLU A 241 -11.514 4.625 1.707 1.00 0.00 C ATOM 948 CG GLU A 241 -12.120 5.028 3.053 1.00 0.00 C ATOM 949 CD GLU A 241 -11.850 6.512 3.309 1.00 0.00 C ATOM 950 OE1 GLU A 241 -11.561 7.214 2.354 1.00 0.00 O ATOM 951 OE2 GLU A 241 -11.936 6.920 4.455 1.00 0.00 O ATOM 0 H GLU A 241 -9.456 4.738 0.494 1.00 0.00 H new ATOM 0 HA GLU A 241 -10.170 3.451 2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 241 -11.046 5.488 1.234 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -12.297 4.277 1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -13.193 4.837 3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 241 -11.689 4.426 3.853 1.00 0.00 H new ATOM 958 N LYS A 242 -10.712 1.648 0.395 1.00 0.00 N ATOM 959 CA LYS A 242 -11.237 0.320 -0.037 1.00 0.00 C ATOM 960 C LYS A 242 -10.063 -0.603 -0.355 1.00 0.00 C ATOM 961 O LYS A 242 -10.043 -1.277 -1.361 1.00 0.00 O ATOM 962 CB LYS A 242 -12.062 0.605 -1.292 1.00 0.00 C ATOM 963 CG LYS A 242 -13.547 0.646 -0.930 1.00 0.00 C ATOM 964 CD LYS A 242 -13.980 -0.724 -0.408 1.00 0.00 C ATOM 965 CE LYS A 242 -14.746 -0.552 0.905 1.00 0.00 C ATOM 966 NZ LYS A 242 -15.599 -1.767 1.010 1.00 0.00 N ATOM 0 H LYS A 242 -10.080 2.098 -0.267 1.00 0.00 H new ATOM 0 HA LYS A 242 -11.839 -0.169 0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -11.758 1.555 -1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -11.881 -0.165 -2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -13.727 1.409 -0.173 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -14.138 0.918 -1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -14.609 -1.224 -1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -13.107 -1.358 -0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -14.065 -0.472 1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -15.350 0.355 0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -16.157 -1.725 1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -16.241 -1.812 0.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -14.996 -2.614 1.024 1.00 0.00 H new ATOM 980 N LYS A 243 -9.089 -0.603 0.509 1.00 0.00 N ATOM 981 CA LYS A 243 -7.854 -1.435 0.323 1.00 0.00 C ATOM 982 C LYS A 243 -8.087 -2.674 -0.555 1.00 0.00 C ATOM 983 O LYS A 243 -7.226 -3.057 -1.322 1.00 0.00 O ATOM 984 CB LYS A 243 -7.468 -1.862 1.740 1.00 0.00 C ATOM 985 CG LYS A 243 -6.052 -2.441 1.734 1.00 0.00 C ATOM 986 CD LYS A 243 -6.078 -3.862 2.302 1.00 0.00 C ATOM 987 CE LYS A 243 -6.161 -3.802 3.829 1.00 0.00 C ATOM 988 NZ LYS A 243 -6.123 -5.223 4.273 1.00 0.00 N ATOM 0 H LYS A 243 -9.092 -0.046 1.364 1.00 0.00 H new ATOM 0 HA LYS A 243 -7.080 -0.865 -0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -7.519 -1.008 2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -8.174 -2.605 2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -5.656 -2.451 0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -5.388 -1.813 2.328 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -6.932 -4.409 1.902 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -5.182 -4.403 1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -5.329 -3.235 4.248 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -7.078 -3.311 4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -6.176 -5.264 5.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -6.930 -5.736 3.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -5.236 -5.663 3.954 1.00 0.00 H new ATOM 1002 N TYR A 244 -9.216 -3.320 -0.453 1.00 0.00 N ATOM 1003 CA TYR A 244 -9.432 -4.537 -1.293 1.00 0.00 C ATOM 1004 C TYR A 244 -10.578 -4.302 -2.291 1.00 0.00 C ATOM 1005 O TYR A 244 -11.734 -4.486 -1.971 1.00 0.00 O ATOM 1006 CB TYR A 244 -9.801 -5.631 -0.286 1.00 0.00 C ATOM 1007 CG TYR A 244 -9.250 -6.963 -0.742 1.00 0.00 C ATOM 1008 CD1 TYR A 244 -7.885 -7.085 -1.029 1.00 0.00 C ATOM 1009 CD2 TYR A 244 -10.089 -8.080 -0.854 1.00 0.00 C ATOM 1010 CE1 TYR A 244 -7.360 -8.320 -1.424 1.00 0.00 C ATOM 1011 CE2 TYR A 244 -9.564 -9.313 -1.253 1.00 0.00 C ATOM 1012 CZ TYR A 244 -8.198 -9.433 -1.537 1.00 0.00 C ATOM 1013 OH TYR A 244 -7.679 -10.650 -1.927 1.00 0.00 O ATOM 0 H TYR A 244 -9.988 -3.066 0.164 1.00 0.00 H new ATOM 0 HA TYR A 244 -8.556 -4.800 -1.886 1.00 0.00 H new ATOM 0 HB2 TYR A 244 -9.402 -5.381 0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 244 -10.885 -5.692 -0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 244 -7.237 -6.225 -0.945 1.00 0.00 H new ATOM 0 HD2 TYR A 244 -11.142 -7.988 -0.632 1.00 0.00 H new ATOM 0 HE1 TYR A 244 -6.306 -8.414 -1.642 1.00 0.00 H new ATOM 0 HE2 TYR A 244 -10.212 -10.173 -1.342 1.00 0.00 H new ATOM 0 HH TYR A 244 -8.201 -11.373 -1.521 1.00 0.00 H new ATOM 1023 N HIS A 245 -10.267 -3.901 -3.503 1.00 0.00 N ATOM 1024 CA HIS A 245 -11.349 -3.664 -4.511 1.00 0.00 C ATOM 1025 C HIS A 245 -11.427 -4.837 -5.497 1.00 0.00 C ATOM 1026 O HIS A 245 -11.186 -5.977 -5.150 1.00 0.00 O ATOM 1027 CB HIS A 245 -10.963 -2.394 -5.279 1.00 0.00 C ATOM 1028 CG HIS A 245 -10.305 -1.387 -4.380 1.00 0.00 C ATOM 1029 ND1 HIS A 245 -9.083 -1.369 -3.759 1.00 0.00 N flip ATOM 1030 CD2 HIS A 245 -10.898 -0.173 -4.080 1.00 0.00 C flip ATOM 1031 CE1 HIS A 245 -8.911 -0.162 -3.093 1.00 0.00 C flip ATOM 1032 NE2 HIS A 245 -10.036 0.519 -3.317 1.00 0.00 N flip ATOM 0 H HIS A 245 -9.318 -3.729 -3.835 1.00 0.00 H new ATOM 0 HA HIS A 245 -12.316 -3.565 -4.018 1.00 0.00 H new ATOM 0 HB2 HIS A 245 -10.287 -2.652 -6.095 1.00 0.00 H new ATOM 0 HB3 HIS A 245 -11.853 -1.955 -5.729 1.00 0.00 H new ATOM 0 HD2 HIS A 245 -11.875 0.157 -4.401 1.00 0.00 H new ATOM 0 HE1 HIS A 245 -8.053 0.156 -2.519 1.00 0.00 H new ATOM 0 HE2 HIS A 245 -10.220 1.454 -2.952 1.00 0.00 H new ATOM 1040 N ASN A 246 -11.754 -4.550 -6.732 1.00 0.00 N ATOM 1041 CA ASN A 246 -11.843 -5.621 -7.765 1.00 0.00 C ATOM 1042 C ASN A 246 -11.378 -5.069 -9.117 1.00 0.00 C ATOM 1043 O ASN A 246 -11.590 -3.914 -9.427 1.00 0.00 O ATOM 1044 CB ASN A 246 -13.322 -6.004 -7.817 1.00 0.00 C ATOM 1045 CG ASN A 246 -13.545 -7.291 -7.023 1.00 0.00 C ATOM 1046 OD1 ASN A 246 -12.676 -7.730 -6.296 1.00 0.00 O ATOM 1047 ND2 ASN A 246 -14.683 -7.920 -7.131 1.00 0.00 N ATOM 0 H ASN A 246 -11.964 -3.611 -7.069 1.00 0.00 H new ATOM 0 HA ASN A 246 -11.215 -6.481 -7.533 1.00 0.00 H new ATOM 0 HB2 ASN A 246 -13.931 -5.200 -7.405 1.00 0.00 H new ATOM 0 HB3 ASN A 246 -13.636 -6.144 -8.851 1.00 0.00 H new ATOM 0 HD21 ASN A 246 -14.843 -8.779 -6.605 1.00 0.00 H new ATOM 0 HD22 ASN A 246 -15.413 -7.552 -7.741 1.00 0.00 H new ATOM 1054 N VAL A 247 -10.739 -5.875 -9.922 1.00 0.00 N ATOM 1055 CA VAL A 247 -10.262 -5.373 -11.243 1.00 0.00 C ATOM 1056 C VAL A 247 -10.483 -6.431 -12.328 1.00 0.00 C ATOM 1057 O VAL A 247 -9.809 -7.441 -12.371 1.00 0.00 O ATOM 1058 CB VAL A 247 -8.770 -5.103 -11.048 1.00 0.00 C ATOM 1059 CG1 VAL A 247 -8.115 -4.840 -12.405 1.00 0.00 C ATOM 1060 CG2 VAL A 247 -8.586 -3.876 -10.150 1.00 0.00 C ATOM 0 H VAL A 247 -10.528 -6.853 -9.724 1.00 0.00 H new ATOM 0 HA VAL A 247 -10.799 -4.480 -11.563 1.00 0.00 H new ATOM 0 HB VAL A 247 -8.304 -5.971 -10.581 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -7.051 -4.648 -12.264 1.00 0.00 H new ATOM 0 HG12 VAL A 247 -8.244 -5.712 -13.047 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -8.582 -3.973 -12.872 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -7.522 -3.683 -10.011 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -9.054 -3.010 -10.618 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -9.051 -4.061 -9.182 1.00 0.00 H new ATOM 1070 N GLY A 248 -11.424 -6.206 -13.204 1.00 0.00 N ATOM 1071 CA GLY A 248 -11.690 -7.197 -14.284 1.00 0.00 C ATOM 1072 C GLY A 248 -12.214 -8.495 -13.666 1.00 0.00 C ATOM 1073 O GLY A 248 -13.405 -8.706 -13.559 1.00 0.00 O ATOM 0 H GLY A 248 -12.020 -5.378 -13.218 1.00 0.00 H new ATOM 0 HA2 GLY A 248 -12.419 -6.797 -14.988 1.00 0.00 H new ATOM 0 HA3 GLY A 248 -10.777 -7.392 -14.847 1.00 0.00 H new ATOM 1077 N LEU A 249 -11.333 -9.363 -13.257 1.00 0.00 N ATOM 1078 CA LEU A 249 -11.779 -10.646 -12.643 1.00 0.00 C ATOM 1079 C LEU A 249 -10.841 -11.032 -11.497 1.00 0.00 C ATOM 1080 O LEU A 249 -10.658 -12.194 -11.194 1.00 0.00 O ATOM 1081 CB LEU A 249 -11.701 -11.676 -13.771 1.00 0.00 C ATOM 1082 CG LEU A 249 -12.842 -11.434 -14.761 1.00 0.00 C ATOM 1083 CD1 LEU A 249 -12.265 -11.042 -16.121 1.00 0.00 C ATOM 1084 CD2 LEU A 249 -13.667 -12.715 -14.911 1.00 0.00 C ATOM 0 H LEU A 249 -10.322 -9.241 -13.321 1.00 0.00 H new ATOM 0 HA LEU A 249 -12.783 -10.578 -12.225 1.00 0.00 H new ATOM 0 HB2 LEU A 249 -10.741 -11.601 -14.281 1.00 0.00 H new ATOM 0 HB3 LEU A 249 -11.767 -12.684 -13.363 1.00 0.00 H new ATOM 0 HG LEU A 249 -13.478 -10.630 -14.390 1.00 0.00 H new ATOM 0 HD11 LEU A 249 -13.079 -10.870 -16.826 1.00 0.00 H new ATOM 0 HD12 LEU A 249 -11.676 -10.131 -16.017 1.00 0.00 H new ATOM 0 HD13 LEU A 249 -11.628 -11.845 -16.491 1.00 0.00 H new ATOM 0 HD21 LEU A 249 -14.480 -12.544 -15.616 1.00 0.00 H new ATOM 0 HD22 LEU A 249 -13.029 -13.517 -15.281 1.00 0.00 H new ATOM 0 HD23 LEU A 249 -14.080 -12.997 -13.943 1.00 0.00 H new ATOM 1096 N SER A 250 -10.247 -10.062 -10.857 1.00 0.00 N ATOM 1097 CA SER A 250 -9.322 -10.361 -9.728 1.00 0.00 C ATOM 1098 C SER A 250 -9.472 -9.290 -8.649 1.00 0.00 C ATOM 1099 O SER A 250 -9.487 -8.110 -8.936 1.00 0.00 O ATOM 1100 CB SER A 250 -7.923 -10.319 -10.339 1.00 0.00 C ATOM 1101 OG SER A 250 -8.006 -10.627 -11.725 1.00 0.00 O ATOM 0 H SER A 250 -10.363 -9.071 -11.069 1.00 0.00 H new ATOM 0 HA SER A 250 -9.526 -11.324 -9.260 1.00 0.00 H new ATOM 0 HB2 SER A 250 -7.482 -9.332 -10.200 1.00 0.00 H new ATOM 0 HB3 SER A 250 -7.272 -11.033 -9.834 1.00 0.00 H new ATOM 0 HG SER A 250 -8.232 -11.574 -11.837 1.00 0.00 H new ATOM 1107 N LYS A 251 -9.595 -9.679 -7.410 1.00 0.00 N ATOM 1108 CA LYS A 251 -9.757 -8.658 -6.338 1.00 0.00 C ATOM 1109 C LYS A 251 -8.390 -8.233 -5.786 1.00 0.00 C ATOM 1110 O LYS A 251 -8.194 -8.124 -4.593 1.00 0.00 O ATOM 1111 CB LYS A 251 -10.647 -9.323 -5.274 1.00 0.00 C ATOM 1112 CG LYS A 251 -9.800 -10.056 -4.233 1.00 0.00 C ATOM 1113 CD LYS A 251 -10.665 -11.084 -3.503 1.00 0.00 C ATOM 1114 CE LYS A 251 -11.188 -12.116 -4.504 1.00 0.00 C ATOM 1115 NZ LYS A 251 -10.832 -13.435 -3.913 1.00 0.00 N ATOM 0 H LYS A 251 -9.591 -10.649 -7.096 1.00 0.00 H new ATOM 0 HA LYS A 251 -10.217 -7.739 -6.700 1.00 0.00 H new ATOM 0 HB2 LYS A 251 -11.260 -8.567 -4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 251 -11.330 -10.025 -5.753 1.00 0.00 H new ATOM 0 HG2 LYS A 251 -8.958 -10.551 -4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 251 -9.384 -9.344 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 251 -10.082 -11.579 -2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 251 -11.499 -10.587 -3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 251 -12.265 -12.022 -4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 251 -10.729 -11.985 -5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 -11.158 -14.197 -4.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 -9.800 -13.497 -3.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 -11.289 -13.534 -2.984 1.00 0.00 H new ATOM 1129 N CYS A 252 -7.456 -7.963 -6.661 1.00 0.00 N ATOM 1130 CA CYS A 252 -6.100 -7.510 -6.216 1.00 0.00 C ATOM 1131 C CYS A 252 -6.231 -6.627 -4.972 1.00 0.00 C ATOM 1132 O CYS A 252 -7.245 -5.988 -4.769 1.00 0.00 O ATOM 1133 CB CYS A 252 -5.572 -6.690 -7.392 1.00 0.00 C ATOM 1134 SG CYS A 252 -6.650 -5.263 -7.666 1.00 0.00 S ATOM 0 H CYS A 252 -7.573 -8.037 -7.672 1.00 0.00 H new ATOM 0 HA CYS A 252 -5.441 -8.338 -5.956 1.00 0.00 H new ATOM 0 HB2 CYS A 252 -4.554 -6.357 -7.189 1.00 0.00 H new ATOM 0 HB3 CYS A 252 -5.532 -7.307 -8.290 1.00 0.00 H new ATOM 0 HG CYS A 252 -7.452 -5.124 -6.652 1.00 0.00 H new ATOM 1140 N GLU A 253 -5.223 -6.560 -4.149 1.00 0.00 N ATOM 1141 CA GLU A 253 -5.344 -5.681 -2.946 1.00 0.00 C ATOM 1142 C GLU A 253 -4.905 -4.282 -3.322 1.00 0.00 C ATOM 1143 O GLU A 253 -4.447 -4.048 -4.420 1.00 0.00 O ATOM 1144 CB GLU A 253 -4.448 -6.245 -1.836 1.00 0.00 C ATOM 1145 CG GLU A 253 -3.254 -7.006 -2.418 1.00 0.00 C ATOM 1146 CD GLU A 253 -2.116 -7.023 -1.397 1.00 0.00 C ATOM 1147 OE1 GLU A 253 -1.997 -6.063 -0.653 1.00 0.00 O ATOM 1148 OE2 GLU A 253 -1.381 -7.998 -1.375 1.00 0.00 O ATOM 0 H GLU A 253 -4.340 -7.061 -4.249 1.00 0.00 H new ATOM 0 HA GLU A 253 -6.374 -5.647 -2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -4.091 -5.431 -1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -5.030 -6.910 -1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -3.546 -8.025 -2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -2.922 -6.532 -3.342 1.00 0.00 H new ATOM 1155 N ILE A 254 -5.067 -3.343 -2.446 1.00 0.00 N ATOM 1156 CA ILE A 254 -4.680 -1.954 -2.812 1.00 0.00 C ATOM 1157 C ILE A 254 -4.229 -1.134 -1.598 1.00 0.00 C ATOM 1158 O ILE A 254 -5.025 -0.497 -0.938 1.00 0.00 O ATOM 1159 CB ILE A 254 -5.953 -1.360 -3.434 1.00 0.00 C ATOM 1160 CG1 ILE A 254 -6.023 -1.740 -4.918 1.00 0.00 C ATOM 1161 CG2 ILE A 254 -5.944 0.169 -3.312 1.00 0.00 C ATOM 1162 CD1 ILE A 254 -6.737 -3.084 -5.080 1.00 0.00 C ATOM 0 H ILE A 254 -5.444 -3.467 -1.506 1.00 0.00 H new ATOM 0 HA ILE A 254 -3.828 -1.941 -3.491 1.00 0.00 H new ATOM 0 HB ILE A 254 -6.818 -1.758 -2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 254 -6.553 -0.968 -5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 254 -5.018 -1.800 -5.334 1.00 0.00 H new ATOM 0 HG21 ILE A 254 -6.852 0.575 -3.757 1.00 0.00 H new ATOM 0 HG22 ILE A 254 -5.899 0.450 -2.260 1.00 0.00 H new ATOM 0 HG23 ILE A 254 -5.074 0.570 -3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 254 -6.783 -3.347 -6.137 1.00 0.00 H new ATOM 0 HD12 ILE A 254 -6.189 -3.855 -4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 254 -7.749 -3.009 -4.681 1.00 0.00 H new ATOM 1174 N LYS A 255 -2.953 -1.094 -1.340 1.00 0.00 N ATOM 1175 CA LYS A 255 -2.448 -0.257 -0.219 1.00 0.00 C ATOM 1176 C LYS A 255 -1.911 1.034 -0.834 1.00 0.00 C ATOM 1177 O LYS A 255 -0.964 1.020 -1.591 1.00 0.00 O ATOM 1178 CB LYS A 255 -1.335 -1.074 0.440 1.00 0.00 C ATOM 1179 CG LYS A 255 -0.447 -0.150 1.279 1.00 0.00 C ATOM 1180 CD LYS A 255 0.819 -0.899 1.697 1.00 0.00 C ATOM 1181 CE LYS A 255 0.434 -2.194 2.417 1.00 0.00 C ATOM 1182 NZ LYS A 255 1.585 -2.490 3.317 1.00 0.00 N ATOM 0 H LYS A 255 -2.238 -1.605 -1.857 1.00 0.00 H new ATOM 0 HA LYS A 255 -3.204 0.000 0.523 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -1.766 -1.852 1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -0.738 -1.575 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -0.184 0.738 0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -0.989 0.190 2.161 1.00 0.00 H new ATOM 0 HD2 LYS A 255 1.426 -1.125 0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 255 1.425 -0.273 2.352 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -0.489 -2.071 2.984 1.00 0.00 H new ATOM 0 HE3 LYS A 255 0.268 -3.005 1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 1.396 -3.365 3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 2.448 -2.608 2.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 1.715 -1.703 3.985 1.00 0.00 H new ATOM 1196 N VAL A 256 -2.547 2.140 -0.567 1.00 0.00 N ATOM 1197 CA VAL A 256 -2.115 3.428 -1.188 1.00 0.00 C ATOM 1198 C VAL A 256 -0.588 3.553 -1.291 1.00 0.00 C ATOM 1199 O VAL A 256 0.162 2.802 -0.700 1.00 0.00 O ATOM 1200 CB VAL A 256 -2.679 4.521 -0.294 1.00 0.00 C ATOM 1201 CG1 VAL A 256 -2.392 4.192 1.171 1.00 0.00 C ATOM 1202 CG2 VAL A 256 -2.025 5.851 -0.663 1.00 0.00 C ATOM 0 H VAL A 256 -3.351 2.210 0.057 1.00 0.00 H new ATOM 0 HA VAL A 256 -2.481 3.496 -2.213 1.00 0.00 H new ATOM 0 HB VAL A 256 -3.758 4.590 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 256 -2.798 4.979 1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 256 -2.858 3.241 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 256 -1.315 4.122 1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 256 -2.423 6.641 -0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 256 -0.947 5.779 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 256 -2.237 6.084 -1.707 1.00 0.00 H new ATOM 1212 N ALA A 257 -0.135 4.521 -2.051 1.00 0.00 N ATOM 1213 CA ALA A 257 1.326 4.737 -2.227 1.00 0.00 C ATOM 1214 C ALA A 257 1.625 6.238 -2.349 1.00 0.00 C ATOM 1215 O ALA A 257 0.787 7.023 -2.759 1.00 0.00 O ATOM 1216 CB ALA A 257 1.663 4.022 -3.535 1.00 0.00 C ATOM 0 H ALA A 257 -0.727 5.176 -2.561 1.00 0.00 H new ATOM 0 HA ALA A 257 1.910 4.362 -1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 257 2.727 4.130 -3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 257 1.416 2.964 -3.445 1.00 0.00 H new ATOM 0 HB3 ALA A 257 1.086 4.461 -4.349 1.00 0.00 H new