USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=12 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+ -110:sc= -0.492 (180deg=-2.56!) USER MOD Single : A 193 THR OG1 : rot 130:sc= 0 USER MOD Single : A 197 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.692) USER MOD Single : A 201 TYR OH : rot 180:sc= 0 USER MOD Single : A 210 SER OG : rot 103:sc= 0.383 USER MOD Single : A 226 CYS SG : rot 180:sc= -2.27! USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 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 -169:sc= -0.17 (180deg=-0.355) 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 180:sc= 0 USER MOD Single : A 245 HIS :FLIP no HD1:sc= -17.9! C(o=-24!,f=-18!) USER MOD Single : A 246 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.095) USER MOD Single : A 250 SER OG : rot 75:sc= 1.31 USER MOD Single : A 251 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 252 CYS SG : rot 180:sc= 0.177 USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 183 -1.298 8.295 -4.998 1.00 0.00 N ATOM 2 CA LYS A 183 -1.036 7.092 -5.834 1.00 0.00 C ATOM 3 C LYS A 183 -1.425 5.886 -4.997 1.00 0.00 C ATOM 4 O LYS A 183 -1.487 5.970 -3.789 1.00 0.00 O ATOM 5 CB LYS A 183 0.460 7.133 -6.135 1.00 0.00 C ATOM 6 CG LYS A 183 1.053 5.710 -6.260 1.00 0.00 C ATOM 7 CD LYS A 183 1.598 5.554 -7.664 1.00 0.00 C ATOM 8 CE LYS A 183 3.097 5.857 -7.671 1.00 0.00 C ATOM 9 NZ LYS A 183 3.561 5.488 -9.038 1.00 0.00 N ATOM 0 HA LYS A 183 -1.595 7.050 -6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 183 0.631 7.682 -7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 183 0.977 7.675 -5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 183 1.844 5.560 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.288 4.959 -6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 183 1.420 4.540 -8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 183 1.077 6.229 -8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 183 3.287 6.909 -7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 183 3.619 5.280 -6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 4.156 4.637 -8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 2.738 5.298 -9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 4.114 6.272 -9.440 1.00 0.00 H new ATOM 23 N ILE A 184 -1.678 4.770 -5.594 1.00 0.00 N ATOM 24 CA ILE A 184 -2.044 3.607 -4.767 1.00 0.00 C ATOM 25 C ILE A 184 -1.239 2.380 -5.200 1.00 0.00 C ATOM 26 O ILE A 184 -0.554 2.401 -6.204 1.00 0.00 O ATOM 27 CB ILE A 184 -3.537 3.388 -5.002 1.00 0.00 C ATOM 28 CG1 ILE A 184 -3.768 2.972 -6.458 1.00 0.00 C ATOM 29 CG2 ILE A 184 -4.297 4.685 -4.715 1.00 0.00 C ATOM 30 CD1 ILE A 184 -3.789 1.445 -6.555 1.00 0.00 C ATOM 0 H ILE A 184 -1.648 4.613 -6.601 1.00 0.00 H new ATOM 0 HA ILE A 184 -1.829 3.772 -3.711 1.00 0.00 H new ATOM 0 HB ILE A 184 -3.897 2.603 -4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.711 3.383 -6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -2.979 3.377 -7.093 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -5.362 4.527 -4.883 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -4.133 4.981 -3.679 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -3.938 5.472 -5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -3.953 1.148 -7.591 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -2.835 1.045 -6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -4.593 1.052 -5.933 1.00 0.00 H new ATOM 42 N PHE A 185 -1.315 1.309 -4.460 1.00 0.00 N ATOM 43 CA PHE A 185 -0.549 0.091 -4.850 1.00 0.00 C ATOM 44 C PHE A 185 -1.447 -1.147 -4.788 1.00 0.00 C ATOM 45 O PHE A 185 -2.189 -1.345 -3.852 1.00 0.00 O ATOM 46 CB PHE A 185 0.631 0.034 -3.859 1.00 0.00 C ATOM 47 CG PHE A 185 0.846 -1.360 -3.292 1.00 0.00 C ATOM 48 CD1 PHE A 185 0.831 -2.486 -4.125 1.00 0.00 C ATOM 49 CD2 PHE A 185 1.068 -1.516 -1.918 1.00 0.00 C ATOM 50 CE1 PHE A 185 1.027 -3.761 -3.585 1.00 0.00 C ATOM 51 CE2 PHE A 185 1.267 -2.792 -1.380 1.00 0.00 C ATOM 52 CZ PHE A 185 1.243 -3.914 -2.213 1.00 0.00 C ATOM 0 H PHE A 185 -1.870 1.224 -3.608 1.00 0.00 H new ATOM 0 HA PHE A 185 -0.185 0.122 -5.877 1.00 0.00 H new ATOM 0 HB2 PHE A 185 1.540 0.363 -4.362 1.00 0.00 H new ATOM 0 HB3 PHE A 185 0.449 0.732 -3.041 1.00 0.00 H new ATOM 0 HD1 PHE A 185 0.668 -2.369 -5.186 1.00 0.00 H new ATOM 0 HD2 PHE A 185 1.086 -0.650 -1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 185 1.011 -4.628 -4.229 1.00 0.00 H new ATOM 0 HE2 PHE A 185 1.439 -2.910 -0.320 1.00 0.00 H new ATOM 0 HZ PHE A 185 1.391 -4.899 -1.796 1.00 0.00 H new ATOM 62 N VAL A 186 -1.366 -1.983 -5.787 1.00 0.00 N ATOM 63 CA VAL A 186 -2.195 -3.219 -5.803 1.00 0.00 C ATOM 64 C VAL A 186 -1.317 -4.447 -5.562 1.00 0.00 C ATOM 65 O VAL A 186 -0.291 -4.622 -6.195 1.00 0.00 O ATOM 66 CB VAL A 186 -2.791 -3.287 -7.206 1.00 0.00 C ATOM 67 CG1 VAL A 186 -3.859 -4.388 -7.248 1.00 0.00 C ATOM 68 CG2 VAL A 186 -3.425 -1.940 -7.563 1.00 0.00 C ATOM 0 H VAL A 186 -0.758 -1.861 -6.597 1.00 0.00 H new ATOM 0 HA VAL A 186 -2.960 -3.201 -5.027 1.00 0.00 H new ATOM 0 HB VAL A 186 -2.005 -3.513 -7.926 1.00 0.00 H new ATOM 0 HG11 VAL A 186 -4.288 -4.441 -8.249 1.00 0.00 H new ATOM 0 HG12 VAL A 186 -3.404 -5.346 -6.997 1.00 0.00 H new ATOM 0 HG13 VAL A 186 -4.645 -4.160 -6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 186 -3.850 -1.992 -8.566 1.00 0.00 H new ATOM 0 HG22 VAL A 186 -4.213 -1.708 -6.847 1.00 0.00 H new ATOM 0 HG23 VAL A 186 -2.664 -1.160 -7.531 1.00 0.00 H new ATOM 78 N GLY A 187 -1.720 -5.310 -4.670 1.00 0.00 N ATOM 79 CA GLY A 187 -0.915 -6.534 -4.415 1.00 0.00 C ATOM 80 C GLY A 187 -1.492 -7.670 -5.247 1.00 0.00 C ATOM 81 O GLY A 187 -1.717 -8.767 -4.775 1.00 0.00 O ATOM 0 H GLY A 187 -2.568 -5.220 -4.110 1.00 0.00 H new ATOM 0 HA2 GLY A 187 0.129 -6.363 -4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 187 -0.939 -6.790 -3.356 1.00 0.00 H new ATOM 148 N THR A 193 -0.902 -6.285 -15.643 1.00 0.00 N ATOM 149 CA THR A 193 -1.680 -5.198 -14.981 1.00 0.00 C ATOM 150 C THR A 193 -2.588 -4.512 -16.016 1.00 0.00 C ATOM 151 O THR A 193 -2.110 -3.783 -16.863 1.00 0.00 O ATOM 152 CB THR A 193 -0.631 -4.222 -14.442 1.00 0.00 C ATOM 153 OG1 THR A 193 -0.046 -4.767 -13.267 1.00 0.00 O ATOM 154 CG2 THR A 193 -1.305 -2.893 -14.106 1.00 0.00 C ATOM 0 HA THR A 193 -2.324 -5.568 -14.183 1.00 0.00 H new ATOM 0 HB THR A 193 0.142 -4.059 -15.193 1.00 0.00 H new ATOM 0 HG1 THR A 193 0.931 -4.730 -13.340 1.00 0.00 H new ATOM 0 HG21 THR A 193 -0.561 -2.195 -13.722 1.00 0.00 H new ATOM 0 HG22 THR A 193 -1.761 -2.479 -15.005 1.00 0.00 H new ATOM 0 HG23 THR A 193 -2.074 -3.056 -13.351 1.00 0.00 H new ATOM 162 N PRO A 194 -3.872 -4.785 -15.935 1.00 0.00 N ATOM 163 CA PRO A 194 -4.845 -4.206 -16.897 1.00 0.00 C ATOM 164 C PRO A 194 -4.912 -2.674 -16.802 1.00 0.00 C ATOM 165 O PRO A 194 -5.969 -2.116 -16.612 1.00 0.00 O ATOM 166 CB PRO A 194 -6.170 -4.833 -16.454 1.00 0.00 C ATOM 167 CG PRO A 194 -5.907 -5.752 -15.246 1.00 0.00 C ATOM 168 CD PRO A 194 -4.418 -5.683 -14.889 1.00 0.00 C ATOM 0 HA PRO A 194 -4.581 -4.412 -17.934 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -6.885 -4.055 -16.187 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -6.610 -5.403 -17.273 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -6.514 -5.441 -14.396 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -6.191 -6.777 -15.483 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -4.260 -5.281 -13.888 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -3.949 -6.667 -14.915 1.00 0.00 H new ATOM 176 N GLU A 195 -3.799 -1.999 -16.940 1.00 0.00 N ATOM 177 CA GLU A 195 -3.800 -0.499 -16.865 1.00 0.00 C ATOM 178 C GLU A 195 -5.042 0.056 -17.518 1.00 0.00 C ATOM 179 O GLU A 195 -5.815 0.747 -16.914 1.00 0.00 O ATOM 180 CB GLU A 195 -2.637 0.037 -17.707 1.00 0.00 C ATOM 181 CG GLU A 195 -1.523 -1.001 -17.891 1.00 0.00 C ATOM 182 CD GLU A 195 -1.876 -1.935 -19.049 1.00 0.00 C ATOM 183 OE1 GLU A 195 -3.056 -2.131 -19.290 1.00 0.00 O ATOM 184 OE2 GLU A 195 -0.960 -2.440 -19.677 1.00 0.00 O ATOM 0 H GLU A 195 -2.884 -2.420 -17.102 1.00 0.00 H new ATOM 0 HA GLU A 195 -3.735 -0.213 -15.815 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -3.010 0.343 -18.684 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -2.226 0.927 -17.230 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -0.576 -0.500 -18.091 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -1.393 -1.576 -16.974 1.00 0.00 H new ATOM 191 N GLU A 196 -5.224 -0.211 -18.771 1.00 0.00 N ATOM 192 CA GLU A 196 -6.401 0.357 -19.445 1.00 0.00 C ATOM 193 C GLU A 196 -7.636 0.086 -18.592 1.00 0.00 C ATOM 194 O GLU A 196 -8.444 0.958 -18.341 1.00 0.00 O ATOM 195 CB GLU A 196 -6.486 -0.348 -20.799 1.00 0.00 C ATOM 196 CG GLU A 196 -7.140 0.582 -21.823 1.00 0.00 C ATOM 197 CD GLU A 196 -7.294 -0.153 -23.156 1.00 0.00 C ATOM 198 OE1 GLU A 196 -7.799 -1.263 -23.144 1.00 0.00 O ATOM 199 OE2 GLU A 196 -6.903 0.407 -24.168 1.00 0.00 O ATOM 0 H GLU A 196 -4.616 -0.791 -19.349 1.00 0.00 H new ATOM 0 HA GLU A 196 -6.333 1.436 -19.584 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -5.489 -0.632 -21.136 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -7.065 -1.267 -20.706 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -8.115 0.910 -21.462 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -6.532 1.477 -21.957 1.00 0.00 H new ATOM 206 N LYS A 197 -7.758 -1.116 -18.109 1.00 0.00 N ATOM 207 CA LYS A 197 -8.914 -1.448 -17.228 1.00 0.00 C ATOM 208 C LYS A 197 -8.666 -0.812 -15.860 1.00 0.00 C ATOM 209 O LYS A 197 -9.577 -0.525 -15.108 1.00 0.00 O ATOM 210 CB LYS A 197 -8.932 -2.975 -17.127 1.00 0.00 C ATOM 211 CG LYS A 197 -10.220 -3.510 -17.755 1.00 0.00 C ATOM 212 CD LYS A 197 -11.168 -3.986 -16.652 1.00 0.00 C ATOM 213 CE LYS A 197 -12.595 -3.539 -16.977 1.00 0.00 C ATOM 214 NZ LYS A 197 -12.901 -4.155 -18.298 1.00 0.00 N ATOM 0 H LYS A 197 -7.110 -1.884 -18.284 1.00 0.00 H new ATOM 0 HA LYS A 197 -9.866 -1.079 -17.608 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -8.064 -3.394 -17.636 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -8.868 -3.282 -16.083 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -10.698 -2.731 -18.349 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -9.992 -4.333 -18.433 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -11.126 -5.072 -16.566 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -10.858 -3.578 -15.690 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -13.297 -3.874 -16.213 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -12.668 -2.452 -17.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -13.927 -4.298 -18.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -12.574 -3.526 -19.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -12.416 -5.072 -18.374 1.00 0.00 H new ATOM 228 N ILE A 198 -7.421 -0.571 -15.554 1.00 0.00 N ATOM 229 CA ILE A 198 -7.067 0.070 -14.264 1.00 0.00 C ATOM 230 C ILE A 198 -7.572 1.512 -14.295 1.00 0.00 C ATOM 231 O ILE A 198 -8.288 1.957 -13.423 1.00 0.00 O ATOM 232 CB ILE A 198 -5.528 -0.023 -14.201 1.00 0.00 C ATOM 233 CG1 ILE A 198 -5.136 -0.614 -12.857 1.00 0.00 C ATOM 234 CG2 ILE A 198 -4.867 1.360 -14.328 1.00 0.00 C ATOM 235 CD1 ILE A 198 -3.767 -1.283 -12.969 1.00 0.00 C ATOM 0 H ILE A 198 -6.627 -0.795 -16.153 1.00 0.00 H new ATOM 0 HA ILE A 198 -7.510 -0.397 -13.385 1.00 0.00 H new ATOM 0 HB ILE A 198 -5.191 -0.645 -15.030 1.00 0.00 H new ATOM 0 HG12 ILE A 198 -5.108 0.169 -12.099 1.00 0.00 H new ATOM 0 HG13 ILE A 198 -5.882 -1.341 -12.537 1.00 0.00 H new ATOM 0 HG21 ILE A 198 -3.784 1.251 -14.279 1.00 0.00 H new ATOM 0 HG22 ILE A 198 -5.144 1.809 -15.282 1.00 0.00 H new ATOM 0 HG23 ILE A 198 -5.205 2.001 -13.513 1.00 0.00 H new ATOM 0 HD11 ILE A 198 -3.489 -1.706 -12.004 1.00 0.00 H new ATOM 0 HD12 ILE A 198 -3.810 -2.077 -13.714 1.00 0.00 H new ATOM 0 HD13 ILE A 198 -3.024 -0.544 -13.269 1.00 0.00 H new ATOM 247 N ARG A 199 -7.227 2.223 -15.326 1.00 0.00 N ATOM 248 CA ARG A 199 -7.701 3.618 -15.472 1.00 0.00 C ATOM 249 C ARG A 199 -9.228 3.607 -15.405 1.00 0.00 C ATOM 250 O ARG A 199 -9.847 4.492 -14.851 1.00 0.00 O ATOM 251 CB ARG A 199 -7.199 4.048 -16.860 1.00 0.00 C ATOM 252 CG ARG A 199 -8.100 5.151 -17.423 1.00 0.00 C ATOM 253 CD ARG A 199 -7.474 5.723 -18.698 1.00 0.00 C ATOM 254 NE ARG A 199 -6.277 6.477 -18.237 1.00 0.00 N ATOM 255 CZ ARG A 199 -5.374 6.861 -19.100 1.00 0.00 C ATOM 256 NH1 ARG A 199 -5.607 6.754 -20.380 1.00 0.00 N ATOM 257 NH2 ARG A 199 -4.239 7.350 -18.680 1.00 0.00 N ATOM 0 H ARG A 199 -6.629 1.891 -16.083 1.00 0.00 H new ATOM 0 HA ARG A 199 -7.343 4.298 -14.699 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -6.172 4.406 -16.790 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -7.193 3.192 -17.535 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -9.090 4.751 -17.640 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -8.231 5.941 -16.684 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -7.197 4.929 -19.392 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -8.173 6.375 -19.222 1.00 0.00 H new ATOM 0 HE ARG A 199 -6.161 6.694 -17.247 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -6.494 6.371 -20.707 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -4.902 7.054 -21.054 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -4.058 7.432 -17.680 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -3.533 7.650 -19.352 1.00 0.00 H new ATOM 271 N GLU A 200 -9.833 2.585 -15.949 1.00 0.00 N ATOM 272 CA GLU A 200 -11.318 2.481 -15.901 1.00 0.00 C ATOM 273 C GLU A 200 -11.779 2.510 -14.467 1.00 0.00 C ATOM 274 O GLU A 200 -12.742 3.171 -14.132 1.00 0.00 O ATOM 275 CB GLU A 200 -11.651 1.138 -16.556 1.00 0.00 C ATOM 276 CG GLU A 200 -11.958 1.339 -18.041 1.00 0.00 C ATOM 277 CD GLU A 200 -10.890 2.230 -18.679 1.00 0.00 C ATOM 278 OE1 GLU A 200 -10.745 3.360 -18.240 1.00 0.00 O ATOM 279 OE2 GLU A 200 -10.237 1.769 -19.601 1.00 0.00 O ATOM 0 H GLU A 200 -9.361 1.817 -16.425 1.00 0.00 H new ATOM 0 HA GLU A 200 -11.813 3.305 -16.415 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -10.813 0.450 -16.440 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -12.508 0.684 -16.058 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -11.990 0.375 -18.548 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -12.941 1.794 -18.159 1.00 0.00 H new ATOM 286 N TYR A 201 -11.117 1.817 -13.604 1.00 0.00 N ATOM 287 CA TYR A 201 -11.570 1.858 -12.207 1.00 0.00 C ATOM 288 C TYR A 201 -10.853 2.974 -11.458 1.00 0.00 C ATOM 289 O TYR A 201 -11.424 4.004 -11.161 1.00 0.00 O ATOM 290 CB TYR A 201 -11.221 0.501 -11.603 1.00 0.00 C ATOM 291 CG TYR A 201 -12.229 0.143 -10.541 1.00 0.00 C ATOM 292 CD1 TYR A 201 -13.595 0.339 -10.775 1.00 0.00 C ATOM 293 CD2 TYR A 201 -11.796 -0.385 -9.320 1.00 0.00 C ATOM 294 CE1 TYR A 201 -14.528 0.007 -9.787 1.00 0.00 C ATOM 295 CE2 TYR A 201 -12.728 -0.718 -8.333 1.00 0.00 C ATOM 296 CZ TYR A 201 -14.095 -0.523 -8.565 1.00 0.00 C ATOM 297 OH TYR A 201 -15.015 -0.850 -7.590 1.00 0.00 O ATOM 0 H TYR A 201 -10.301 1.237 -13.799 1.00 0.00 H new ATOM 0 HA TYR A 201 -12.640 2.054 -12.140 1.00 0.00 H new ATOM 0 HB2 TYR A 201 -11.211 -0.262 -12.381 1.00 0.00 H new ATOM 0 HB3 TYR A 201 -10.220 0.530 -11.173 1.00 0.00 H new ATOM 0 HD1 TYR A 201 -13.929 0.746 -11.718 1.00 0.00 H new ATOM 0 HD2 TYR A 201 -10.742 -0.535 -9.140 1.00 0.00 H new ATOM 0 HE1 TYR A 201 -15.582 0.159 -9.966 1.00 0.00 H new ATOM 0 HE2 TYR A 201 -12.393 -1.126 -7.391 1.00 0.00 H new ATOM 0 HH TYR A 201 -14.548 -1.206 -6.805 1.00 0.00 H new ATOM 307 N PHE A 202 -9.599 2.777 -11.153 1.00 0.00 N ATOM 308 CA PHE A 202 -8.846 3.823 -10.426 1.00 0.00 C ATOM 309 C PHE A 202 -9.019 5.157 -11.144 1.00 0.00 C ATOM 310 O PHE A 202 -9.379 6.157 -10.550 1.00 0.00 O ATOM 311 CB PHE A 202 -7.384 3.364 -10.460 1.00 0.00 C ATOM 312 CG PHE A 202 -7.226 2.117 -9.625 1.00 0.00 C ATOM 313 CD1 PHE A 202 -7.521 2.143 -8.257 1.00 0.00 C ATOM 314 CD2 PHE A 202 -6.781 0.933 -10.224 1.00 0.00 C ATOM 315 CE1 PHE A 202 -7.369 0.982 -7.487 1.00 0.00 C ATOM 316 CE2 PHE A 202 -6.630 -0.228 -9.455 1.00 0.00 C ATOM 317 CZ PHE A 202 -6.925 -0.202 -8.086 1.00 0.00 C ATOM 0 H PHE A 202 -9.069 1.935 -11.378 1.00 0.00 H new ATOM 0 HA PHE A 202 -9.191 3.960 -9.401 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -7.078 3.167 -11.487 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -6.735 4.153 -10.080 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -7.865 3.057 -7.795 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -6.554 0.914 -11.280 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -7.595 1.001 -6.431 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -6.287 -1.142 -9.917 1.00 0.00 H new ATOM 0 HZ PHE A 202 -6.810 -1.097 -7.492 1.00 0.00 H new ATOM 327 N GLY A 203 -8.795 5.176 -12.427 1.00 0.00 N ATOM 328 CA GLY A 203 -8.979 6.436 -13.186 1.00 0.00 C ATOM 329 C GLY A 203 -10.398 6.934 -12.925 1.00 0.00 C ATOM 330 O GLY A 203 -10.703 8.101 -13.075 1.00 0.00 O ATOM 0 H GLY A 203 -8.493 4.374 -12.980 1.00 0.00 H new ATOM 0 HA2 GLY A 203 -8.249 7.182 -12.872 1.00 0.00 H new ATOM 0 HA3 GLY A 203 -8.823 6.267 -14.251 1.00 0.00 H new ATOM 334 N GLY A 204 -11.265 6.046 -12.512 1.00 0.00 N ATOM 335 CA GLY A 204 -12.667 6.442 -12.214 1.00 0.00 C ATOM 336 C GLY A 204 -12.703 7.187 -10.879 1.00 0.00 C ATOM 337 O GLY A 204 -13.345 8.211 -10.749 1.00 0.00 O ATOM 0 H GLY A 204 -11.057 5.058 -12.369 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -13.056 7.077 -13.010 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -13.306 5.560 -12.170 1.00 0.00 H new ATOM 341 N PHE A 205 -12.008 6.694 -9.887 1.00 0.00 N ATOM 342 CA PHE A 205 -12.006 7.401 -8.573 1.00 0.00 C ATOM 343 C PHE A 205 -11.500 8.826 -8.778 1.00 0.00 C ATOM 344 O PHE A 205 -11.847 9.741 -8.059 1.00 0.00 O ATOM 345 CB PHE A 205 -11.038 6.617 -7.688 1.00 0.00 C ATOM 346 CG PHE A 205 -11.633 5.272 -7.354 1.00 0.00 C ATOM 347 CD1 PHE A 205 -11.487 4.202 -8.243 1.00 0.00 C ATOM 348 CD2 PHE A 205 -12.327 5.096 -6.152 1.00 0.00 C ATOM 349 CE1 PHE A 205 -12.036 2.954 -7.930 1.00 0.00 C ATOM 350 CE2 PHE A 205 -12.875 3.849 -5.837 1.00 0.00 C ATOM 351 CZ PHE A 205 -12.731 2.776 -6.726 1.00 0.00 C ATOM 0 H PHE A 205 -11.448 5.842 -9.929 1.00 0.00 H new ATOM 0 HA PHE A 205 -12.998 7.456 -8.124 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -10.085 6.487 -8.201 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.834 7.173 -6.773 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.951 4.339 -9.170 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -12.439 5.924 -5.467 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -11.924 2.128 -8.616 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -13.409 3.713 -4.908 1.00 0.00 H new ATOM 0 HZ PHE A 205 -13.155 1.813 -6.484 1.00 0.00 H new ATOM 361 N GLY A 206 -10.676 9.006 -9.769 1.00 0.00 N ATOM 362 CA GLY A 206 -10.120 10.352 -10.067 1.00 0.00 C ATOM 363 C GLY A 206 -9.194 10.218 -11.271 1.00 0.00 C ATOM 364 O GLY A 206 -8.379 9.319 -11.328 1.00 0.00 O ATOM 0 H GLY A 206 -10.359 8.265 -10.395 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -10.923 11.058 -10.279 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -9.574 10.739 -9.206 1.00 0.00 H new ATOM 368 N GLU A 207 -9.317 11.083 -12.240 1.00 0.00 N ATOM 369 CA GLU A 207 -8.441 10.968 -13.441 1.00 0.00 C ATOM 370 C GLU A 207 -7.016 10.613 -13.024 1.00 0.00 C ATOM 371 O GLU A 207 -6.520 11.060 -12.009 1.00 0.00 O ATOM 372 CB GLU A 207 -8.476 12.337 -14.115 1.00 0.00 C ATOM 373 CG GLU A 207 -8.134 13.424 -13.093 1.00 0.00 C ATOM 374 CD GLU A 207 -8.778 14.744 -13.516 1.00 0.00 C ATOM 375 OE1 GLU A 207 -9.047 14.899 -14.696 1.00 0.00 O ATOM 376 OE2 GLU A 207 -8.992 15.580 -12.652 1.00 0.00 O ATOM 0 H GLU A 207 -9.980 11.858 -12.253 1.00 0.00 H new ATOM 0 HA GLU A 207 -8.783 10.183 -14.115 1.00 0.00 H new ATOM 0 HB2 GLU A 207 -7.766 12.365 -14.941 1.00 0.00 H new ATOM 0 HB3 GLU A 207 -9.464 12.520 -14.538 1.00 0.00 H new ATOM 0 HG2 GLU A 207 -8.491 13.134 -12.105 1.00 0.00 H new ATOM 0 HG3 GLU A 207 -7.053 13.542 -13.020 1.00 0.00 H new ATOM 383 N VAL A 208 -6.363 9.792 -13.793 1.00 0.00 N ATOM 384 CA VAL A 208 -4.984 9.379 -13.445 1.00 0.00 C ATOM 385 C VAL A 208 -3.959 10.123 -14.291 1.00 0.00 C ATOM 386 O VAL A 208 -4.178 10.404 -15.454 1.00 0.00 O ATOM 387 CB VAL A 208 -4.946 7.887 -13.781 1.00 0.00 C ATOM 388 CG1 VAL A 208 -3.494 7.420 -13.941 1.00 0.00 C ATOM 389 CG2 VAL A 208 -5.617 7.105 -12.658 1.00 0.00 C ATOM 0 H VAL A 208 -6.731 9.387 -14.654 1.00 0.00 H new ATOM 0 HA VAL A 208 -4.743 9.593 -12.404 1.00 0.00 H new ATOM 0 HB VAL A 208 -5.476 7.714 -14.718 1.00 0.00 H new ATOM 0 HG11 VAL A 208 -3.478 6.357 -14.180 1.00 0.00 H new ATOM 0 HG12 VAL A 208 -3.018 7.980 -14.746 1.00 0.00 H new ATOM 0 HG13 VAL A 208 -2.952 7.591 -13.011 1.00 0.00 H new ATOM 0 HG21 VAL A 208 -5.593 6.041 -12.891 1.00 0.00 H new ATOM 0 HG22 VAL A 208 -5.086 7.283 -11.723 1.00 0.00 H new ATOM 0 HG23 VAL A 208 -6.652 7.431 -12.556 1.00 0.00 H new ATOM 399 N GLU A 209 -2.817 10.384 -13.733 1.00 0.00 N ATOM 400 CA GLU A 209 -1.748 11.038 -14.517 1.00 0.00 C ATOM 401 C GLU A 209 -0.975 9.911 -15.183 1.00 0.00 C ATOM 402 O GLU A 209 -0.853 9.846 -16.390 1.00 0.00 O ATOM 403 CB GLU A 209 -0.885 11.785 -13.497 1.00 0.00 C ATOM 404 CG GLU A 209 0.143 12.652 -14.230 1.00 0.00 C ATOM 405 CD GLU A 209 1.551 12.279 -13.764 1.00 0.00 C ATOM 406 OE1 GLU A 209 2.010 11.210 -14.130 1.00 0.00 O ATOM 407 OE2 GLU A 209 2.144 13.068 -13.047 1.00 0.00 O ATOM 0 H GLU A 209 -2.579 10.171 -12.764 1.00 0.00 H new ATOM 0 HA GLU A 209 -2.098 11.736 -15.278 1.00 0.00 H new ATOM 0 HB2 GLU A 209 -1.514 12.408 -12.861 1.00 0.00 H new ATOM 0 HB3 GLU A 209 -0.377 11.074 -12.845 1.00 0.00 H new ATOM 0 HG2 GLU A 209 0.055 12.507 -15.307 1.00 0.00 H new ATOM 0 HG3 GLU A 209 -0.049 13.707 -14.033 1.00 0.00 H new ATOM 414 N SER A 210 -0.505 8.981 -14.396 1.00 0.00 N ATOM 415 CA SER A 210 0.194 7.810 -14.961 1.00 0.00 C ATOM 416 C SER A 210 0.048 6.659 -13.980 1.00 0.00 C ATOM 417 O SER A 210 -0.183 6.872 -12.810 1.00 0.00 O ATOM 418 CB SER A 210 1.657 8.218 -15.111 1.00 0.00 C ATOM 419 OG SER A 210 1.774 9.179 -16.151 1.00 0.00 O ATOM 0 H SER A 210 -0.580 8.990 -13.379 1.00 0.00 H new ATOM 0 HA SER A 210 -0.209 7.496 -15.924 1.00 0.00 H new ATOM 0 HB2 SER A 210 2.028 8.633 -14.174 1.00 0.00 H new ATOM 0 HB3 SER A 210 2.268 7.344 -15.337 1.00 0.00 H new ATOM 0 HG SER A 210 1.877 10.072 -15.761 1.00 0.00 H new ATOM 425 N ILE A 211 0.191 5.450 -14.417 1.00 0.00 N ATOM 426 CA ILE A 211 0.071 4.334 -13.449 1.00 0.00 C ATOM 427 C ILE A 211 1.451 3.778 -13.146 1.00 0.00 C ATOM 428 O ILE A 211 2.460 4.358 -13.495 1.00 0.00 O ATOM 429 CB ILE A 211 -0.786 3.267 -14.111 1.00 0.00 C ATOM 430 CG1 ILE A 211 -0.149 2.837 -15.435 1.00 0.00 C ATOM 431 CG2 ILE A 211 -2.186 3.818 -14.366 1.00 0.00 C ATOM 432 CD1 ILE A 211 0.228 1.357 -15.360 1.00 0.00 C ATOM 0 H ILE A 211 0.382 5.185 -15.383 1.00 0.00 H new ATOM 0 HA ILE A 211 -0.378 4.666 -12.513 1.00 0.00 H new ATOM 0 HB ILE A 211 -0.855 2.402 -13.451 1.00 0.00 H new ATOM 0 HG12 ILE A 211 -0.844 3.005 -16.257 1.00 0.00 H new ATOM 0 HG13 ILE A 211 0.736 3.439 -15.638 1.00 0.00 H new ATOM 0 HG21 ILE A 211 -2.798 3.051 -14.841 1.00 0.00 H new ATOM 0 HG22 ILE A 211 -2.640 4.110 -13.419 1.00 0.00 H new ATOM 0 HG23 ILE A 211 -2.121 4.687 -15.021 1.00 0.00 H new ATOM 0 HD11 ILE A 211 0.682 1.049 -16.302 1.00 0.00 H new ATOM 0 HD12 ILE A 211 0.938 1.203 -14.548 1.00 0.00 H new ATOM 0 HD13 ILE A 211 -0.667 0.762 -15.177 1.00 0.00 H new ATOM 444 N GLU A 212 1.503 2.659 -12.502 1.00 0.00 N ATOM 445 CA GLU A 212 2.820 2.060 -12.176 1.00 0.00 C ATOM 446 C GLU A 212 2.690 0.540 -12.096 1.00 0.00 C ATOM 447 O GLU A 212 1.776 0.017 -11.502 1.00 0.00 O ATOM 448 CB GLU A 212 3.189 2.657 -10.820 1.00 0.00 C ATOM 449 CG GLU A 212 4.367 1.881 -10.225 1.00 0.00 C ATOM 450 CD GLU A 212 5.510 1.830 -11.239 1.00 0.00 C ATOM 451 OE1 GLU A 212 6.178 2.839 -11.401 1.00 0.00 O ATOM 452 OE2 GLU A 212 5.700 0.783 -11.835 1.00 0.00 O ATOM 0 H GLU A 212 0.691 2.129 -12.185 1.00 0.00 H new ATOM 0 HA GLU A 212 3.582 2.269 -12.927 1.00 0.00 H new ATOM 0 HB2 GLU A 212 3.452 3.709 -10.933 1.00 0.00 H new ATOM 0 HB3 GLU A 212 2.333 2.613 -10.146 1.00 0.00 H new ATOM 0 HG2 GLU A 212 4.704 2.360 -9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 212 4.055 0.870 -9.962 1.00 0.00 H new ATOM 459 N LEU A 213 3.591 -0.177 -12.692 1.00 0.00 N ATOM 460 CA LEU A 213 3.496 -1.660 -12.639 1.00 0.00 C ATOM 461 C LEU A 213 4.596 -2.210 -11.760 1.00 0.00 C ATOM 462 O LEU A 213 5.386 -1.457 -11.226 1.00 0.00 O ATOM 463 CB LEU A 213 3.650 -2.110 -14.078 1.00 0.00 C ATOM 464 CG LEU A 213 2.589 -1.404 -14.920 1.00 0.00 C ATOM 465 CD1 LEU A 213 2.505 -2.060 -16.299 1.00 0.00 C ATOM 466 CD2 LEU A 213 1.237 -1.528 -14.208 1.00 0.00 C ATOM 0 H LEU A 213 4.386 0.194 -13.212 1.00 0.00 H new ATOM 0 HA LEU A 213 2.557 -2.014 -12.214 1.00 0.00 H new ATOM 0 HB2 LEU A 213 4.648 -1.870 -14.446 1.00 0.00 H new ATOM 0 HB3 LEU A 213 3.535 -3.191 -14.152 1.00 0.00 H new ATOM 0 HG LEU A 213 2.851 -0.353 -15.043 1.00 0.00 H new ATOM 0 HD11 LEU A 213 1.747 -1.554 -16.897 1.00 0.00 H new ATOM 0 HD12 LEU A 213 3.471 -1.984 -16.798 1.00 0.00 H new ATOM 0 HD13 LEU A 213 2.237 -3.110 -16.186 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.468 -1.028 -14.797 1.00 0.00 H new ATOM 0 HD22 LEU A 213 0.980 -2.581 -14.095 1.00 0.00 H new ATOM 0 HD23 LEU A 213 1.300 -1.063 -13.224 1.00 0.00 H new ATOM 478 N PRO A 214 4.611 -3.501 -11.592 1.00 0.00 N ATOM 479 CA PRO A 214 5.616 -4.093 -10.726 1.00 0.00 C ATOM 480 C PRO A 214 7.007 -3.993 -11.361 1.00 0.00 C ATOM 481 O PRO A 214 7.191 -3.356 -12.378 1.00 0.00 O ATOM 482 CB PRO A 214 5.147 -5.547 -10.597 1.00 0.00 C ATOM 483 CG PRO A 214 3.857 -5.708 -11.424 1.00 0.00 C ATOM 484 CD PRO A 214 3.647 -4.423 -12.232 1.00 0.00 C ATOM 0 HA PRO A 214 5.710 -3.597 -9.760 1.00 0.00 H new ATOM 0 HB2 PRO A 214 5.917 -6.229 -10.957 1.00 0.00 H new ATOM 0 HB3 PRO A 214 4.963 -5.796 -9.552 1.00 0.00 H new ATOM 0 HG2 PRO A 214 3.936 -6.568 -12.090 1.00 0.00 H new ATOM 0 HG3 PRO A 214 3.005 -5.889 -10.769 1.00 0.00 H new ATOM 0 HD2 PRO A 214 3.860 -4.567 -13.291 1.00 0.00 H new ATOM 0 HD3 PRO A 214 2.623 -4.058 -12.160 1.00 0.00 H new ATOM 662 N PHE A 225 4.425 -5.979 -6.963 1.00 0.00 N ATOM 663 CA PHE A 225 3.046 -5.409 -7.014 1.00 0.00 C ATOM 664 C PHE A 225 2.939 -4.382 -8.141 1.00 0.00 C ATOM 665 O PHE A 225 3.875 -4.138 -8.859 1.00 0.00 O ATOM 666 CB PHE A 225 2.821 -4.743 -5.653 1.00 0.00 C ATOM 667 CG PHE A 225 4.114 -4.153 -5.131 1.00 0.00 C ATOM 668 CD1 PHE A 225 4.987 -3.490 -6.004 1.00 0.00 C ATOM 669 CD2 PHE A 225 4.440 -4.279 -3.777 1.00 0.00 C ATOM 670 CE1 PHE A 225 6.184 -2.951 -5.519 1.00 0.00 C ATOM 671 CE2 PHE A 225 5.639 -3.740 -3.292 1.00 0.00 C ATOM 672 CZ PHE A 225 6.511 -3.077 -4.164 1.00 0.00 C ATOM 0 HA PHE A 225 2.298 -6.177 -7.210 1.00 0.00 H new ATOM 0 HB2 PHE A 225 2.068 -3.960 -5.745 1.00 0.00 H new ATOM 0 HB3 PHE A 225 2.435 -5.475 -4.943 1.00 0.00 H new ATOM 0 HD1 PHE A 225 4.736 -3.395 -7.050 1.00 0.00 H new ATOM 0 HD2 PHE A 225 3.768 -4.792 -3.105 1.00 0.00 H new ATOM 0 HE1 PHE A 225 6.856 -2.437 -6.191 1.00 0.00 H new ATOM 0 HE2 PHE A 225 5.890 -3.836 -2.246 1.00 0.00 H new ATOM 0 HZ PHE A 225 7.436 -2.663 -3.791 1.00 0.00 H new ATOM 682 N CYS A 226 1.803 -3.773 -8.290 1.00 0.00 N ATOM 683 CA CYS A 226 1.630 -2.750 -9.369 1.00 0.00 C ATOM 684 C CYS A 226 1.006 -1.480 -8.761 1.00 0.00 C ATOM 685 O CYS A 226 -0.078 -1.531 -8.213 1.00 0.00 O ATOM 686 CB CYS A 226 0.652 -3.373 -10.387 1.00 0.00 C ATOM 687 SG CYS A 226 -0.492 -4.532 -9.584 1.00 0.00 S ATOM 0 H CYS A 226 0.978 -3.935 -7.712 1.00 0.00 H new ATOM 0 HA CYS A 226 2.577 -2.481 -9.837 1.00 0.00 H new ATOM 0 HB2 CYS A 226 0.085 -2.583 -10.880 1.00 0.00 H new ATOM 0 HB3 CYS A 226 1.214 -3.893 -11.163 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.298 -5.032 -10.473 1.00 0.00 H new ATOM 693 N PHE A 227 1.654 -0.344 -8.845 1.00 0.00 N ATOM 694 CA PHE A 227 1.041 0.892 -8.257 1.00 0.00 C ATOM 695 C PHE A 227 0.349 1.714 -9.345 1.00 0.00 C ATOM 696 O PHE A 227 0.174 1.280 -10.464 1.00 0.00 O ATOM 697 CB PHE A 227 2.186 1.733 -7.662 1.00 0.00 C ATOM 698 CG PHE A 227 2.727 1.130 -6.381 1.00 0.00 C ATOM 699 CD1 PHE A 227 2.965 -0.248 -6.273 1.00 0.00 C ATOM 700 CD2 PHE A 227 3.017 1.975 -5.300 1.00 0.00 C ATOM 701 CE1 PHE A 227 3.491 -0.776 -5.086 1.00 0.00 C ATOM 702 CE2 PHE A 227 3.540 1.445 -4.113 1.00 0.00 C ATOM 703 CZ PHE A 227 3.778 0.070 -4.007 1.00 0.00 C ATOM 0 H PHE A 227 2.565 -0.217 -9.287 1.00 0.00 H new ATOM 0 HA PHE A 227 0.304 0.619 -7.502 1.00 0.00 H new ATOM 0 HB2 PHE A 227 2.991 1.817 -8.392 1.00 0.00 H new ATOM 0 HB3 PHE A 227 1.829 2.744 -7.464 1.00 0.00 H new ATOM 0 HD1 PHE A 227 2.743 -0.902 -7.104 1.00 0.00 H new ATOM 0 HD2 PHE A 227 2.837 3.037 -5.383 1.00 0.00 H new ATOM 0 HE1 PHE A 227 3.675 -1.837 -5.003 1.00 0.00 H new ATOM 0 HE2 PHE A 227 3.759 2.097 -3.281 1.00 0.00 H new ATOM 0 HZ PHE A 227 4.183 -0.339 -3.093 1.00 0.00 H new ATOM 713 N ILE A 228 -0.022 2.912 -9.010 1.00 0.00 N ATOM 714 CA ILE A 228 -0.682 3.824 -9.983 1.00 0.00 C ATOM 715 C ILE A 228 -0.630 5.237 -9.391 1.00 0.00 C ATOM 716 O ILE A 228 -0.909 5.416 -8.221 1.00 0.00 O ATOM 717 CB ILE A 228 -2.130 3.343 -10.076 1.00 0.00 C ATOM 718 CG1 ILE A 228 -2.190 2.095 -10.969 1.00 0.00 C ATOM 719 CG2 ILE A 228 -2.999 4.465 -10.660 1.00 0.00 C ATOM 720 CD1 ILE A 228 -3.550 1.998 -11.666 1.00 0.00 C ATOM 0 H ILE A 228 0.107 3.309 -8.079 1.00 0.00 H new ATOM 0 HA ILE A 228 -0.211 3.830 -10.966 1.00 0.00 H new ATOM 0 HB ILE A 228 -2.506 3.087 -9.085 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -1.395 2.135 -11.714 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -2.019 1.202 -10.368 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -4.033 4.126 -10.728 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -2.946 5.341 -10.013 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.636 4.726 -11.654 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -3.574 1.108 -12.294 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -4.339 1.935 -10.917 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -3.706 2.882 -12.284 1.00 0.00 H new ATOM 732 N THR A 229 -0.274 6.246 -10.141 1.00 0.00 N ATOM 733 CA THR A 229 -0.222 7.600 -9.523 1.00 0.00 C ATOM 734 C THR A 229 -1.243 8.513 -10.174 1.00 0.00 C ATOM 735 O THR A 229 -1.523 8.421 -11.354 1.00 0.00 O ATOM 736 CB THR A 229 1.200 8.118 -9.764 1.00 0.00 C ATOM 737 OG1 THR A 229 1.422 9.272 -8.963 1.00 0.00 O ATOM 738 CG2 THR A 229 1.383 8.480 -11.237 1.00 0.00 C ATOM 0 H THR A 229 -0.023 6.195 -11.128 1.00 0.00 H new ATOM 0 HA THR A 229 -0.455 7.567 -8.459 1.00 0.00 H new ATOM 0 HB THR A 229 1.915 7.339 -9.497 1.00 0.00 H new ATOM 0 HG1 THR A 229 2.331 9.605 -9.114 1.00 0.00 H new ATOM 0 HG21 THR A 229 2.397 8.847 -11.398 1.00 0.00 H new ATOM 0 HG22 THR A 229 1.215 7.596 -11.852 1.00 0.00 H new ATOM 0 HG23 THR A 229 0.668 9.255 -11.513 1.00 0.00 H new ATOM 746 N PHE A 230 -1.792 9.400 -9.413 1.00 0.00 N ATOM 747 CA PHE A 230 -2.800 10.339 -9.993 1.00 0.00 C ATOM 748 C PHE A 230 -2.269 11.777 -9.963 1.00 0.00 C ATOM 749 O PHE A 230 -1.192 12.051 -10.455 1.00 0.00 O ATOM 750 CB PHE A 230 -4.050 10.208 -9.134 1.00 0.00 C ATOM 751 CG PHE A 230 -4.492 8.765 -9.061 1.00 0.00 C ATOM 752 CD1 PHE A 230 -3.938 7.911 -8.098 1.00 0.00 C ATOM 753 CD2 PHE A 230 -5.462 8.284 -9.948 1.00 0.00 C ATOM 754 CE1 PHE A 230 -4.353 6.576 -8.027 1.00 0.00 C ATOM 755 CE2 PHE A 230 -5.878 6.949 -9.873 1.00 0.00 C ATOM 756 CZ PHE A 230 -5.323 6.095 -8.913 1.00 0.00 C ATOM 0 H PHE A 230 -1.596 9.524 -8.420 1.00 0.00 H new ATOM 0 HA PHE A 230 -3.014 10.099 -11.035 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -3.850 10.585 -8.131 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -4.851 10.819 -9.551 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -3.192 8.282 -7.411 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -5.889 8.942 -10.690 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -3.924 5.916 -7.287 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -6.628 6.578 -10.556 1.00 0.00 H new ATOM 0 HZ PHE A 230 -5.643 5.065 -8.856 1.00 0.00 H new ATOM 766 N LYS A 231 -3.016 12.712 -9.423 1.00 0.00 N ATOM 767 CA LYS A 231 -2.521 14.120 -9.422 1.00 0.00 C ATOM 768 C LYS A 231 -2.926 14.911 -8.159 1.00 0.00 C ATOM 769 O LYS A 231 -2.129 15.646 -7.609 1.00 0.00 O ATOM 770 CB LYS A 231 -3.186 14.726 -10.653 1.00 0.00 C ATOM 771 CG LYS A 231 -2.114 15.148 -11.660 1.00 0.00 C ATOM 772 CD LYS A 231 -2.747 16.026 -12.742 1.00 0.00 C ATOM 773 CE LYS A 231 -3.476 17.199 -12.085 1.00 0.00 C ATOM 774 NZ LYS A 231 -3.359 18.316 -13.062 1.00 0.00 N ATOM 0 H LYS A 231 -3.928 12.563 -8.992 1.00 0.00 H new ATOM 0 HA LYS A 231 -1.432 14.156 -9.432 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -3.861 14.001 -11.108 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -3.789 15.587 -10.366 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -1.319 15.694 -11.153 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -1.658 14.267 -12.112 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -1.979 16.396 -13.421 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -3.445 15.439 -13.340 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -4.520 16.955 -11.887 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -3.023 17.461 -11.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -3.836 19.159 -12.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -2.355 18.530 -13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -3.805 18.040 -13.960 1.00 0.00 H new ATOM 788 N GLU A 232 -4.155 14.815 -7.722 1.00 0.00 N ATOM 789 CA GLU A 232 -4.587 15.624 -6.530 1.00 0.00 C ATOM 790 C GLU A 232 -4.209 14.965 -5.190 1.00 0.00 C ATOM 791 O GLU A 232 -3.216 15.308 -4.584 1.00 0.00 O ATOM 792 CB GLU A 232 -6.110 15.738 -6.664 1.00 0.00 C ATOM 793 CG GLU A 232 -6.470 16.066 -8.109 1.00 0.00 C ATOM 794 CD GLU A 232 -7.774 16.866 -8.144 1.00 0.00 C ATOM 795 OE1 GLU A 232 -8.192 17.326 -7.094 1.00 0.00 O ATOM 796 OE2 GLU A 232 -8.333 17.005 -9.219 1.00 0.00 O ATOM 0 H GLU A 232 -4.876 14.220 -8.130 1.00 0.00 H new ATOM 0 HA GLU A 232 -4.087 16.592 -6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 232 -6.583 14.803 -6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 232 -6.487 16.515 -5.999 1.00 0.00 H new ATOM 0 HG2 GLU A 232 -5.667 16.639 -8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 232 -6.580 15.147 -8.685 1.00 0.00 H new ATOM 803 N GLU A 233 -5.009 14.038 -4.722 1.00 0.00 N ATOM 804 CA GLU A 233 -4.747 13.349 -3.407 1.00 0.00 C ATOM 805 C GLU A 233 -6.059 12.691 -2.946 1.00 0.00 C ATOM 806 O GLU A 233 -6.076 11.694 -2.246 1.00 0.00 O ATOM 807 CB GLU A 233 -4.346 14.459 -2.427 1.00 0.00 C ATOM 808 CG GLU A 233 -5.264 15.671 -2.607 1.00 0.00 C ATOM 809 CD GLU A 233 -4.425 16.898 -2.967 1.00 0.00 C ATOM 810 OE1 GLU A 233 -3.614 17.298 -2.147 1.00 0.00 O ATOM 811 OE2 GLU A 233 -4.608 17.419 -4.054 1.00 0.00 O ATOM 0 H GLU A 233 -5.851 13.720 -5.202 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.972 12.586 -3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -4.410 14.092 -1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -3.309 14.749 -2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -5.994 15.474 -3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -5.823 15.856 -1.690 1.00 0.00 H new ATOM 818 N GLU A 234 -7.163 13.272 -3.349 1.00 0.00 N ATOM 819 CA GLU A 234 -8.506 12.741 -2.968 1.00 0.00 C ATOM 820 C GLU A 234 -8.752 11.327 -3.518 1.00 0.00 C ATOM 821 O GLU A 234 -9.103 10.441 -2.765 1.00 0.00 O ATOM 822 CB GLU A 234 -9.504 13.725 -3.579 1.00 0.00 C ATOM 823 CG GLU A 234 -10.472 14.211 -2.497 1.00 0.00 C ATOM 824 CD GLU A 234 -11.429 15.242 -3.094 1.00 0.00 C ATOM 825 OE1 GLU A 234 -11.150 15.717 -4.184 1.00 0.00 O ATOM 826 OE2 GLU A 234 -12.424 15.540 -2.455 1.00 0.00 O ATOM 0 H GLU A 234 -7.188 14.106 -3.936 1.00 0.00 H new ATOM 0 HA GLU A 234 -8.598 12.656 -1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -8.975 14.572 -4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -10.056 13.244 -4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -11.034 13.369 -2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -9.917 14.651 -1.669 1.00 0.00 H new ATOM 833 N PRO A 235 -8.582 11.144 -4.809 1.00 0.00 N ATOM 834 CA PRO A 235 -8.818 9.812 -5.407 1.00 0.00 C ATOM 835 C PRO A 235 -8.105 8.731 -4.594 1.00 0.00 C ATOM 836 O PRO A 235 -8.597 7.629 -4.452 1.00 0.00 O ATOM 837 CB PRO A 235 -8.263 9.976 -6.826 1.00 0.00 C ATOM 838 CG PRO A 235 -7.767 11.427 -6.990 1.00 0.00 C ATOM 839 CD PRO A 235 -8.137 12.217 -5.727 1.00 0.00 C ATOM 0 HA PRO A 235 -9.861 9.495 -5.418 1.00 0.00 H new ATOM 0 HB2 PRO A 235 -7.447 9.274 -6.997 1.00 0.00 H new ATOM 0 HB3 PRO A 235 -9.035 9.753 -7.563 1.00 0.00 H new ATOM 0 HG2 PRO A 235 -6.688 11.443 -7.143 1.00 0.00 H new ATOM 0 HG3 PRO A 235 -8.221 11.885 -7.869 1.00 0.00 H new ATOM 0 HD2 PRO A 235 -7.286 12.768 -5.327 1.00 0.00 H new ATOM 0 HD3 PRO A 235 -8.927 12.944 -5.918 1.00 0.00 H new ATOM 847 N VAL A 236 -6.979 9.041 -4.012 1.00 0.00 N ATOM 848 CA VAL A 236 -6.294 8.026 -3.165 1.00 0.00 C ATOM 849 C VAL A 236 -7.142 7.805 -1.922 1.00 0.00 C ATOM 850 O VAL A 236 -7.431 6.695 -1.541 1.00 0.00 O ATOM 851 CB VAL A 236 -4.939 8.639 -2.796 1.00 0.00 C ATOM 852 CG1 VAL A 236 -4.484 8.154 -1.414 1.00 0.00 C ATOM 853 CG2 VAL A 236 -3.908 8.201 -3.820 1.00 0.00 C ATOM 0 H VAL A 236 -6.508 9.943 -4.085 1.00 0.00 H new ATOM 0 HA VAL A 236 -6.158 7.068 -3.666 1.00 0.00 H new ATOM 0 HB VAL A 236 -5.038 9.724 -2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -3.520 8.601 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -5.219 8.448 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -4.389 7.068 -1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -2.939 8.631 -3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -3.833 7.114 -3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -4.210 8.543 -4.810 1.00 0.00 H new ATOM 863 N LYS A 237 -7.552 8.869 -1.301 1.00 0.00 N ATOM 864 CA LYS A 237 -8.403 8.733 -0.087 1.00 0.00 C ATOM 865 C LYS A 237 -9.463 7.683 -0.349 1.00 0.00 C ATOM 866 O LYS A 237 -9.755 6.836 0.475 1.00 0.00 O ATOM 867 CB LYS A 237 -9.088 10.081 0.086 1.00 0.00 C ATOM 868 CG LYS A 237 -8.859 10.596 1.509 1.00 0.00 C ATOM 869 CD LYS A 237 -7.817 11.716 1.486 1.00 0.00 C ATOM 870 CE LYS A 237 -6.630 11.324 2.369 1.00 0.00 C ATOM 871 NZ LYS A 237 -5.425 11.726 1.591 1.00 0.00 N ATOM 0 H LYS A 237 -7.337 9.827 -1.578 1.00 0.00 H new ATOM 0 HA LYS A 237 -7.823 8.448 0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 237 -8.695 10.795 -0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 237 -10.156 9.985 -0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 237 -9.795 10.965 1.929 1.00 0.00 H new ATOM 0 HG3 LYS A 237 -8.520 9.783 2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 237 -7.481 11.894 0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 237 -8.259 12.646 1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 237 -6.668 11.835 3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 237 -6.628 10.254 2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 -4.568 11.490 2.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 -5.413 11.219 0.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 -5.451 12.751 1.415 1.00 0.00 H new ATOM 885 N LYS A 238 -10.046 7.743 -1.509 1.00 0.00 N ATOM 886 CA LYS A 238 -11.101 6.765 -1.847 1.00 0.00 C ATOM 887 C LYS A 238 -10.484 5.390 -2.011 1.00 0.00 C ATOM 888 O LYS A 238 -10.818 4.451 -1.315 1.00 0.00 O ATOM 889 CB LYS A 238 -11.679 7.219 -3.184 1.00 0.00 C ATOM 890 CG LYS A 238 -13.164 7.550 -3.020 1.00 0.00 C ATOM 891 CD LYS A 238 -13.514 8.761 -3.886 1.00 0.00 C ATOM 892 CE LYS A 238 -14.257 8.296 -5.141 1.00 0.00 C ATOM 893 NZ LYS A 238 -15.408 9.232 -5.275 1.00 0.00 N ATOM 0 H LYS A 238 -9.835 8.428 -2.235 1.00 0.00 H new ATOM 0 HA LYS A 238 -11.864 6.711 -1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -11.139 8.094 -3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -11.552 6.435 -3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -13.773 6.694 -3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -13.388 7.760 -1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -14.133 9.458 -3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -12.606 9.296 -4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -13.612 8.335 -6.019 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -14.596 7.265 -5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -15.967 8.977 -6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -16.008 9.168 -4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -15.054 10.205 -5.376 1.00 0.00 H new ATOM 907 N ILE A 239 -9.586 5.268 -2.940 1.00 0.00 N ATOM 908 CA ILE A 239 -8.943 3.954 -3.169 1.00 0.00 C ATOM 909 C ILE A 239 -8.464 3.387 -1.832 1.00 0.00 C ATOM 910 O ILE A 239 -8.925 2.358 -1.378 1.00 0.00 O ATOM 911 CB ILE A 239 -7.762 4.231 -4.099 1.00 0.00 C ATOM 912 CG1 ILE A 239 -8.281 4.682 -5.470 1.00 0.00 C ATOM 913 CG2 ILE A 239 -6.935 2.955 -4.266 1.00 0.00 C ATOM 914 CD1 ILE A 239 -9.427 3.771 -5.912 1.00 0.00 C ATOM 0 H ILE A 239 -9.270 6.022 -3.550 1.00 0.00 H new ATOM 0 HA ILE A 239 -9.624 3.225 -3.608 1.00 0.00 H new ATOM 0 HB ILE A 239 -7.141 5.017 -3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 239 -8.624 5.715 -5.418 1.00 0.00 H new ATOM 0 HG13 ILE A 239 -7.475 4.651 -6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 239 -6.093 3.152 -4.929 1.00 0.00 H new ATOM 0 HG22 ILE A 239 -6.564 2.632 -3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 239 -7.559 2.171 -4.695 1.00 0.00 H new ATOM 0 HD11 ILE A 239 -9.794 4.094 -6.886 1.00 0.00 H new ATOM 0 HD12 ILE A 239 -9.069 2.744 -5.981 1.00 0.00 H new ATOM 0 HD13 ILE A 239 -10.236 3.825 -5.184 1.00 0.00 H new ATOM 926 N MET A 240 -7.548 4.063 -1.196 1.00 0.00 N ATOM 927 CA MET A 240 -7.039 3.584 0.120 1.00 0.00 C ATOM 928 C MET A 240 -8.205 3.210 1.048 1.00 0.00 C ATOM 929 O MET A 240 -8.071 2.370 1.915 1.00 0.00 O ATOM 930 CB MET A 240 -6.267 4.772 0.691 1.00 0.00 C ATOM 931 CG MET A 240 -5.370 4.297 1.833 1.00 0.00 C ATOM 932 SD MET A 240 -6.347 4.158 3.349 1.00 0.00 S ATOM 933 CE MET A 240 -5.779 2.509 3.830 1.00 0.00 C ATOM 0 H MET A 240 -7.128 4.930 -1.532 1.00 0.00 H new ATOM 0 HA MET A 240 -6.419 2.693 0.021 1.00 0.00 H new ATOM 0 HB2 MET A 240 -5.664 5.236 -0.090 1.00 0.00 H new ATOM 0 HB3 MET A 240 -6.961 5.531 1.052 1.00 0.00 H new ATOM 0 HG2 MET A 240 -4.926 3.333 1.584 1.00 0.00 H new ATOM 0 HG3 MET A 240 -4.548 4.998 1.980 1.00 0.00 H new ATOM 0 HE1 MET A 240 -6.400 2.133 4.643 1.00 0.00 H new ATOM 0 HE2 MET A 240 -5.852 1.835 2.976 1.00 0.00 H new ATOM 0 HE3 MET A 240 -4.742 2.564 4.161 1.00 0.00 H new ATOM 943 N GLU A 241 -9.344 3.832 0.881 1.00 0.00 N ATOM 944 CA GLU A 241 -10.508 3.514 1.765 1.00 0.00 C ATOM 945 C GLU A 241 -11.169 2.193 1.352 1.00 0.00 C ATOM 946 O GLU A 241 -12.201 1.818 1.873 1.00 0.00 O ATOM 947 CB GLU A 241 -11.478 4.680 1.576 1.00 0.00 C ATOM 948 CG GLU A 241 -12.628 4.553 2.577 1.00 0.00 C ATOM 949 CD GLU A 241 -12.585 5.731 3.551 1.00 0.00 C ATOM 950 OE1 GLU A 241 -11.546 5.937 4.155 1.00 0.00 O ATOM 951 OE2 GLU A 241 -13.592 6.410 3.674 1.00 0.00 O ATOM 0 H GLU A 241 -9.519 4.545 0.173 1.00 0.00 H new ATOM 0 HA GLU A 241 -10.204 3.393 2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 241 -10.958 5.627 1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -11.867 4.683 0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -13.583 4.536 2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 241 -12.548 3.613 3.122 1.00 0.00 H new ATOM 958 N LYS A 242 -10.581 1.480 0.432 1.00 0.00 N ATOM 959 CA LYS A 242 -11.169 0.179 -0.004 1.00 0.00 C ATOM 960 C LYS A 242 -10.043 -0.833 -0.210 1.00 0.00 C ATOM 961 O LYS A 242 -9.899 -1.414 -1.263 1.00 0.00 O ATOM 962 CB LYS A 242 -11.886 0.471 -1.324 1.00 0.00 C ATOM 963 CG LYS A 242 -13.399 0.378 -1.112 1.00 0.00 C ATOM 964 CD LYS A 242 -13.903 1.660 -0.448 1.00 0.00 C ATOM 965 CE LYS A 242 -14.931 1.311 0.632 1.00 0.00 C ATOM 966 NZ LYS A 242 -15.796 2.518 0.743 1.00 0.00 N ATOM 0 H LYS A 242 -9.715 1.742 -0.039 1.00 0.00 H new ATOM 0 HA LYS A 242 -11.859 -0.237 0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -11.618 1.464 -1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -11.570 -0.240 -2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -13.902 0.229 -2.068 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -13.637 -0.484 -0.489 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -13.068 2.205 -0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -14.353 2.315 -1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -15.513 0.432 0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -14.445 1.085 1.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -16.527 2.356 1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -15.216 3.337 1.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -16.250 2.705 -0.174 1.00 0.00 H new ATOM 980 N LYS A 243 -9.238 -1.012 0.802 1.00 0.00 N ATOM 981 CA LYS A 243 -8.071 -1.953 0.736 1.00 0.00 C ATOM 982 C LYS A 243 -8.261 -3.079 -0.293 1.00 0.00 C ATOM 983 O LYS A 243 -7.322 -3.478 -0.951 1.00 0.00 O ATOM 984 CB LYS A 243 -7.978 -2.547 2.141 1.00 0.00 C ATOM 985 CG LYS A 243 -7.123 -1.642 3.028 1.00 0.00 C ATOM 986 CD LYS A 243 -8.001 -1.028 4.120 1.00 0.00 C ATOM 987 CE LYS A 243 -8.482 -2.128 5.068 1.00 0.00 C ATOM 988 NZ LYS A 243 -7.441 -2.199 6.132 1.00 0.00 N ATOM 0 H LYS A 243 -9.340 -0.534 1.698 1.00 0.00 H new ATOM 0 HA LYS A 243 -7.171 -1.424 0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -8.975 -2.654 2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -7.542 -3.545 2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -6.312 -2.215 3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -6.664 -0.855 2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -7.438 -0.277 4.674 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -8.855 -0.520 3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -9.460 -1.889 5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -8.582 -3.081 4.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -7.700 -2.933 6.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -6.523 -2.434 5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -7.373 -1.279 6.613 1.00 0.00 H new ATOM 1002 N TYR A 244 -9.442 -3.616 -0.435 1.00 0.00 N ATOM 1003 CA TYR A 244 -9.619 -4.728 -1.419 1.00 0.00 C ATOM 1004 C TYR A 244 -10.656 -4.336 -2.482 1.00 0.00 C ATOM 1005 O TYR A 244 -11.846 -4.472 -2.278 1.00 0.00 O ATOM 1006 CB TYR A 244 -10.121 -5.903 -0.575 1.00 0.00 C ATOM 1007 CG TYR A 244 -9.573 -7.205 -1.117 1.00 0.00 C ATOM 1008 CD1 TYR A 244 -8.195 -7.341 -1.328 1.00 0.00 C ATOM 1009 CD2 TYR A 244 -10.427 -8.285 -1.375 1.00 0.00 C ATOM 1010 CE1 TYR A 244 -7.673 -8.549 -1.804 1.00 0.00 C ATOM 1011 CE2 TYR A 244 -9.905 -9.495 -1.843 1.00 0.00 C ATOM 1012 CZ TYR A 244 -8.528 -9.627 -2.060 1.00 0.00 C ATOM 1013 OH TYR A 244 -8.013 -10.821 -2.521 1.00 0.00 O ATOM 0 H TYR A 244 -10.280 -3.341 0.077 1.00 0.00 H new ATOM 0 HA TYR A 244 -8.701 -4.968 -1.956 1.00 0.00 H new ATOM 0 HB2 TYR A 244 -9.812 -5.774 0.462 1.00 0.00 H new ATOM 0 HB3 TYR A 244 -11.211 -5.927 -0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 244 -7.534 -6.512 -1.123 1.00 0.00 H new ATOM 0 HD2 TYR A 244 -11.490 -8.183 -1.212 1.00 0.00 H new ATOM 0 HE1 TYR A 244 -6.611 -8.649 -1.974 1.00 0.00 H new ATOM 0 HE2 TYR A 244 -10.564 -10.328 -2.037 1.00 0.00 H new ATOM 0 HH TYR A 244 -8.741 -11.465 -2.646 1.00 0.00 H new ATOM 1023 N HIS A 245 -10.215 -3.847 -3.616 1.00 0.00 N ATOM 1024 CA HIS A 245 -11.186 -3.448 -4.684 1.00 0.00 C ATOM 1025 C HIS A 245 -11.411 -4.599 -5.670 1.00 0.00 C ATOM 1026 O HIS A 245 -11.052 -5.732 -5.418 1.00 0.00 O ATOM 1027 CB HIS A 245 -10.538 -2.274 -5.425 1.00 0.00 C ATOM 1028 CG HIS A 245 -10.019 -1.254 -4.453 1.00 0.00 C ATOM 1029 ND1 HIS A 245 -8.932 -1.254 -3.621 1.00 0.00 N flip ATOM 1030 CD2 HIS A 245 -10.627 -0.020 -4.278 1.00 0.00 C flip ATOM 1031 CE1 HIS A 245 -8.858 -0.043 -2.941 1.00 0.00 C flip ATOM 1032 NE2 HIS A 245 -9.903 0.662 -3.373 1.00 0.00 N flip ATOM 0 H HIS A 245 -9.232 -3.707 -3.848 1.00 0.00 H new ATOM 0 HA HIS A 245 -12.152 -3.185 -4.252 1.00 0.00 H new ATOM 0 HB2 HIS A 245 -9.721 -2.638 -6.049 1.00 0.00 H new ATOM 0 HB3 HIS A 245 -11.266 -1.811 -6.091 1.00 0.00 H new ATOM 0 HD2 HIS A 245 -11.519 0.329 -4.777 1.00 0.00 H new ATOM 0 HE1 HIS A 245 -8.114 0.260 -2.219 1.00 0.00 H new ATOM 0 HE2 HIS A 245 -10.127 1.605 -3.056 1.00 0.00 H new ATOM 1040 N ASN A 246 -11.994 -4.300 -6.801 1.00 0.00 N ATOM 1041 CA ASN A 246 -12.240 -5.350 -7.830 1.00 0.00 C ATOM 1042 C ASN A 246 -11.864 -4.807 -9.213 1.00 0.00 C ATOM 1043 O ASN A 246 -12.217 -3.700 -9.567 1.00 0.00 O ATOM 1044 CB ASN A 246 -13.738 -5.643 -7.755 1.00 0.00 C ATOM 1045 CG ASN A 246 -14.053 -6.353 -6.437 1.00 0.00 C ATOM 1046 OD1 ASN A 246 -13.938 -7.559 -6.341 1.00 0.00 O ATOM 1047 ND2 ASN A 246 -14.447 -5.652 -5.409 1.00 0.00 N ATOM 0 H ASN A 246 -12.312 -3.365 -7.057 1.00 0.00 H new ATOM 0 HA ASN A 246 -11.649 -6.250 -7.661 1.00 0.00 H new ATOM 0 HB2 ASN A 246 -14.305 -4.715 -7.825 1.00 0.00 H new ATOM 0 HB3 ASN A 246 -14.040 -6.265 -8.597 1.00 0.00 H new ATOM 0 HD21 ASN A 246 -14.658 -6.116 -4.526 1.00 0.00 H new ATOM 0 HD22 ASN A 246 -14.544 -4.640 -5.489 1.00 0.00 H new ATOM 1054 N VAL A 247 -11.145 -5.567 -9.993 1.00 0.00 N ATOM 1055 CA VAL A 247 -10.749 -5.071 -11.343 1.00 0.00 C ATOM 1056 C VAL A 247 -10.618 -6.239 -12.326 1.00 0.00 C ATOM 1057 O VAL A 247 -9.989 -7.238 -12.038 1.00 0.00 O ATOM 1058 CB VAL A 247 -9.393 -4.394 -11.127 1.00 0.00 C ATOM 1059 CG1 VAL A 247 -8.760 -4.070 -12.481 1.00 0.00 C ATOM 1060 CG2 VAL A 247 -9.588 -3.096 -10.334 1.00 0.00 C ATOM 0 H VAL A 247 -10.816 -6.503 -9.757 1.00 0.00 H new ATOM 0 HA VAL A 247 -11.487 -4.389 -11.766 1.00 0.00 H new ATOM 0 HB VAL A 247 -8.739 -5.066 -10.571 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -7.795 -3.588 -12.325 1.00 0.00 H new ATOM 0 HG12 VAL A 247 -8.619 -4.991 -13.046 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -9.415 -3.399 -13.038 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -8.622 -2.615 -10.181 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -10.244 -2.425 -10.889 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -10.037 -3.324 -9.367 1.00 0.00 H new ATOM 1070 N GLY A 248 -11.208 -6.119 -13.487 1.00 0.00 N ATOM 1071 CA GLY A 248 -11.120 -7.221 -14.490 1.00 0.00 C ATOM 1072 C GLY A 248 -11.312 -8.568 -13.792 1.00 0.00 C ATOM 1073 O GLY A 248 -10.427 -9.400 -13.771 1.00 0.00 O ATOM 0 H GLY A 248 -11.747 -5.305 -13.784 1.00 0.00 H new ATOM 0 HA2 GLY A 248 -11.880 -7.087 -15.259 1.00 0.00 H new ATOM 0 HA3 GLY A 248 -10.152 -7.194 -14.990 1.00 0.00 H new ATOM 1077 N LEU A 249 -12.461 -8.789 -13.214 1.00 0.00 N ATOM 1078 CA LEU A 249 -12.706 -10.082 -12.514 1.00 0.00 C ATOM 1079 C LEU A 249 -11.533 -10.410 -11.586 1.00 0.00 C ATOM 1080 O LEU A 249 -11.314 -11.549 -11.222 1.00 0.00 O ATOM 1081 CB LEU A 249 -12.822 -11.126 -13.623 1.00 0.00 C ATOM 1082 CG LEU A 249 -13.874 -12.165 -13.232 1.00 0.00 C ATOM 1083 CD1 LEU A 249 -15.269 -11.638 -13.573 1.00 0.00 C ATOM 1084 CD2 LEU A 249 -13.616 -13.465 -13.997 1.00 0.00 C ATOM 0 H LEU A 249 -13.240 -8.131 -13.196 1.00 0.00 H new ATOM 0 HA LEU A 249 -13.603 -10.050 -11.895 1.00 0.00 H new ATOM 0 HB2 LEU A 249 -13.099 -10.647 -14.562 1.00 0.00 H new ATOM 0 HB3 LEU A 249 -11.859 -11.610 -13.785 1.00 0.00 H new ATOM 0 HG LEU A 249 -13.813 -12.356 -12.161 1.00 0.00 H new ATOM 0 HD11 LEU A 249 -16.017 -12.380 -13.293 1.00 0.00 H new ATOM 0 HD12 LEU A 249 -15.453 -10.714 -13.025 1.00 0.00 H new ATOM 0 HD13 LEU A 249 -15.333 -11.444 -14.644 1.00 0.00 H new ATOM 0 HD21 LEU A 249 -14.366 -14.206 -13.719 1.00 0.00 H new ATOM 0 HD22 LEU A 249 -13.675 -13.274 -15.069 1.00 0.00 H new ATOM 0 HD23 LEU A 249 -12.624 -13.842 -13.749 1.00 0.00 H new ATOM 1096 N SER A 250 -10.784 -9.418 -11.191 1.00 0.00 N ATOM 1097 CA SER A 250 -9.632 -9.666 -10.278 1.00 0.00 C ATOM 1098 C SER A 250 -9.667 -8.658 -9.131 1.00 0.00 C ATOM 1099 O SER A 250 -9.583 -7.464 -9.339 1.00 0.00 O ATOM 1100 CB SER A 250 -8.384 -9.463 -11.135 1.00 0.00 C ATOM 1101 OG SER A 250 -8.419 -10.360 -12.238 1.00 0.00 O ATOM 0 H SER A 250 -10.920 -8.444 -11.462 1.00 0.00 H new ATOM 0 HA SER A 250 -9.654 -10.663 -9.839 1.00 0.00 H new ATOM 0 HB2 SER A 250 -8.337 -8.434 -11.490 1.00 0.00 H new ATOM 0 HB3 SER A 250 -7.488 -9.636 -10.539 1.00 0.00 H new ATOM 0 HG SER A 250 -9.074 -10.045 -12.896 1.00 0.00 H new ATOM 1107 N LYS A 251 -9.803 -9.123 -7.921 1.00 0.00 N ATOM 1108 CA LYS A 251 -9.857 -8.178 -6.773 1.00 0.00 C ATOM 1109 C LYS A 251 -8.484 -8.063 -6.101 1.00 0.00 C ATOM 1110 O LYS A 251 -8.350 -8.225 -4.905 1.00 0.00 O ATOM 1111 CB LYS A 251 -10.902 -8.770 -5.820 1.00 0.00 C ATOM 1112 CG LYS A 251 -10.278 -9.891 -4.989 1.00 0.00 C ATOM 1113 CD LYS A 251 -11.359 -10.890 -4.577 1.00 0.00 C ATOM 1114 CE LYS A 251 -10.831 -12.316 -4.766 1.00 0.00 C ATOM 1115 NZ LYS A 251 -11.676 -13.163 -3.881 1.00 0.00 N ATOM 0 H LYS A 251 -9.879 -10.111 -7.679 1.00 0.00 H new ATOM 0 HA LYS A 251 -10.124 -7.167 -7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 251 -11.289 -7.991 -5.163 1.00 0.00 H new ATOM 0 HB3 LYS A 251 -11.748 -9.156 -6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 251 -9.503 -10.396 -5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 251 -9.797 -9.476 -4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 251 -11.641 -10.729 -3.536 1.00 0.00 H new ATOM 0 HD3 LYS A 251 -12.256 -10.740 -5.177 1.00 0.00 H new ATOM 0 HE2 LYS A 251 -10.911 -12.631 -5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 251 -9.779 -12.386 -4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 -11.373 -14.155 -3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 -11.575 -12.845 -2.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 -12.672 -13.082 -4.170 1.00 0.00 H new ATOM 1129 N CYS A 252 -7.469 -7.757 -6.866 1.00 0.00 N ATOM 1130 CA CYS A 252 -6.106 -7.597 -6.275 1.00 0.00 C ATOM 1131 C CYS A 252 -6.222 -6.834 -4.954 1.00 0.00 C ATOM 1132 O CYS A 252 -7.228 -6.208 -4.687 1.00 0.00 O ATOM 1133 CB CYS A 252 -5.327 -6.771 -7.300 1.00 0.00 C ATOM 1134 SG CYS A 252 -5.393 -7.581 -8.920 1.00 0.00 S ATOM 0 H CYS A 252 -7.524 -7.611 -7.874 1.00 0.00 H new ATOM 0 HA CYS A 252 -5.617 -8.549 -6.068 1.00 0.00 H new ATOM 0 HB2 CYS A 252 -5.748 -5.768 -7.368 1.00 0.00 H new ATOM 0 HB3 CYS A 252 -4.291 -6.661 -6.980 1.00 0.00 H new ATOM 0 HG CYS A 252 -4.731 -6.873 -9.786 1.00 0.00 H new ATOM 1140 N GLU A 253 -5.212 -6.848 -4.134 1.00 0.00 N ATOM 1141 CA GLU A 253 -5.323 -6.080 -2.858 1.00 0.00 C ATOM 1142 C GLU A 253 -4.886 -4.655 -3.119 1.00 0.00 C ATOM 1143 O GLU A 253 -4.454 -4.325 -4.203 1.00 0.00 O ATOM 1144 CB GLU A 253 -4.417 -6.736 -1.806 1.00 0.00 C ATOM 1145 CG GLU A 253 -3.217 -7.425 -2.458 1.00 0.00 C ATOM 1146 CD GLU A 253 -3.583 -8.868 -2.815 1.00 0.00 C ATOM 1147 OE1 GLU A 253 -4.745 -9.110 -3.099 1.00 0.00 O ATOM 1148 OE2 GLU A 253 -2.695 -9.704 -2.801 1.00 0.00 O ATOM 0 H GLU A 253 -4.333 -7.344 -4.282 1.00 0.00 H new ATOM 0 HA GLU A 253 -6.349 -6.080 -2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -4.067 -5.981 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -4.990 -7.465 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -2.917 -6.883 -3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -2.365 -7.413 -1.778 1.00 0.00 H new ATOM 1155 N ILE A 254 -5.023 -3.792 -2.164 1.00 0.00 N ATOM 1156 CA ILE A 254 -4.635 -2.384 -2.435 1.00 0.00 C ATOM 1157 C ILE A 254 -4.150 -1.649 -1.183 1.00 0.00 C ATOM 1158 O ILE A 254 -4.812 -1.593 -0.167 1.00 0.00 O ATOM 1159 CB ILE A 254 -5.910 -1.739 -2.992 1.00 0.00 C ATOM 1160 CG1 ILE A 254 -6.010 -2.031 -4.494 1.00 0.00 C ATOM 1161 CG2 ILE A 254 -5.875 -0.220 -2.782 1.00 0.00 C ATOM 1162 CD1 ILE A 254 -6.770 -3.341 -4.724 1.00 0.00 C ATOM 0 H ILE A 254 -5.377 -3.988 -1.228 1.00 0.00 H new ATOM 0 HA ILE A 254 -3.794 -2.333 -3.126 1.00 0.00 H new ATOM 0 HB ILE A 254 -6.772 -2.153 -2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 254 -6.521 -1.211 -4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 254 -5.012 -2.099 -4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 254 -6.787 0.224 -3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 254 -5.803 -0.002 -1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 254 -5.011 0.199 -3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 254 -6.836 -3.540 -5.794 1.00 0.00 H new ATOM 0 HD12 ILE A 254 -6.242 -4.159 -4.234 1.00 0.00 H new ATOM 0 HD13 ILE A 254 -7.774 -3.257 -4.308 1.00 0.00 H new ATOM 1174 N LYS A 255 -3.011 -1.035 -1.303 1.00 0.00 N ATOM 1175 CA LYS A 255 -2.440 -0.224 -0.198 1.00 0.00 C ATOM 1176 C LYS A 255 -1.959 1.076 -0.836 1.00 0.00 C ATOM 1177 O LYS A 255 -1.010 1.083 -1.591 1.00 0.00 O ATOM 1178 CB LYS A 255 -1.267 -1.029 0.370 1.00 0.00 C ATOM 1179 CG LYS A 255 -1.590 -2.526 0.338 1.00 0.00 C ATOM 1180 CD LYS A 255 -0.690 -3.260 1.332 1.00 0.00 C ATOM 1181 CE LYS A 255 -0.864 -4.771 1.159 1.00 0.00 C ATOM 1182 NZ LYS A 255 -1.759 -5.183 2.277 1.00 0.00 N ATOM 0 H LYS A 255 -2.436 -1.063 -2.145 1.00 0.00 H new ATOM 0 HA LYS A 255 -3.145 -0.002 0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -0.366 -0.831 -0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -1.063 -0.715 1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -2.638 -2.689 0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -1.439 -2.921 -0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 255 0.351 -2.982 1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -0.943 -2.968 2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -1.305 -5.010 0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 255 0.094 -5.288 1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -1.927 -6.208 2.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -1.310 -4.949 3.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -2.666 -4.680 2.199 1.00 0.00 H new ATOM 1196 N VAL A 256 -2.648 2.156 -0.599 1.00 0.00 N ATOM 1197 CA VAL A 256 -2.272 3.442 -1.253 1.00 0.00 C ATOM 1198 C VAL A 256 -0.757 3.616 -1.379 1.00 0.00 C ATOM 1199 O VAL A 256 0.025 2.941 -0.738 1.00 0.00 O ATOM 1200 CB VAL A 256 -2.863 4.536 -0.385 1.00 0.00 C ATOM 1201 CG1 VAL A 256 -2.483 4.300 1.078 1.00 0.00 C ATOM 1202 CG2 VAL A 256 -2.318 5.882 -0.856 1.00 0.00 C ATOM 0 H VAL A 256 -3.457 2.205 0.020 1.00 0.00 H new ATOM 0 HA VAL A 256 -2.654 3.472 -2.273 1.00 0.00 H new ATOM 0 HB VAL A 256 -3.950 4.529 -0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 256 -2.910 5.089 1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 256 -2.870 3.334 1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 256 -1.398 4.308 1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 256 -2.735 6.679 -0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 256 -1.232 5.886 -0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 256 -2.598 6.044 -1.897 1.00 0.00 H new ATOM 1212 N ALA A 257 -0.348 4.530 -2.216 1.00 0.00 N ATOM 1213 CA ALA A 257 1.100 4.778 -2.426 1.00 0.00 C ATOM 1214 C ALA A 257 1.359 6.281 -2.564 1.00 0.00 C ATOM 1215 O ALA A 257 0.478 7.043 -2.924 1.00 0.00 O ATOM 1216 CB ALA A 257 1.418 4.055 -3.736 1.00 0.00 C ATOM 0 H ALA A 257 -0.968 5.122 -2.769 1.00 0.00 H new ATOM 0 HA ALA A 257 1.716 4.427 -1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 257 2.474 4.183 -3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 257 1.196 2.993 -3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 257 0.811 4.473 -4.539 1.00 0.00 H new