USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=13 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 Set 1.1: A 244 TYR OH : rot 130:sc= 0.0524 USER MOD Set 1.2: A 251 LYS NZ :NH3+ -164:sc= 0.521 (180deg=0) USER MOD Set 2.1: A 240 MET CE :methyl -176:sc= 0 (180deg=0) USER MOD Set 2.2: A 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 LYS NZ :NH3+ -109:sc= -1.89! (180deg=-3.83!) USER MOD Single : A 193 THR OG1 : rot 45:sc= 0.571 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 180:sc= -0.62 USER MOD Single : A 226 CYS SG : rot 180:sc= -2.26! USER MOD Single : A 229 THR OG1 : rot 180:sc= -0.0223 USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 237 LYS NZ :NH3+ -150:sc= -0.0244 (180deg=-0.433) USER MOD Single : A 238 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 245 HIS :FLIP no HD1:sc= -16.6! C(o=-23!,f=-17!) USER MOD Single : A 246 ASN : amide:sc= -1.85! C(o=-1.8!,f=-6!) USER MOD Single : A 250 SER OG : rot 180:sc= 0 USER MOD Single : A 252 CYS SG : rot 180:sc= 0.133 USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 183 -0.757 8.405 -4.609 1.00 0.00 N ATOM 2 CA LYS A 183 -0.582 7.224 -5.505 1.00 0.00 C ATOM 3 C LYS A 183 -0.967 6.000 -4.695 1.00 0.00 C ATOM 4 O LYS A 183 -0.943 6.030 -3.481 1.00 0.00 O ATOM 5 CB LYS A 183 0.892 7.215 -5.898 1.00 0.00 C ATOM 6 CG LYS A 183 1.423 5.773 -6.094 1.00 0.00 C ATOM 7 CD LYS A 183 1.875 5.629 -7.531 1.00 0.00 C ATOM 8 CE LYS A 183 3.390 5.837 -7.620 1.00 0.00 C ATOM 9 NZ LYS A 183 3.766 5.356 -8.979 1.00 0.00 N ATOM 0 HA LYS A 183 -1.194 7.246 -6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 183 1.026 7.781 -6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 183 1.477 7.717 -5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 183 2.251 5.577 -5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.643 5.046 -5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 183 1.611 4.641 -7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 183 1.361 6.357 -8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 183 3.653 6.886 -7.486 1.00 0.00 H new ATOM 0 HE3 LYS A 183 3.912 5.276 -6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 4.296 4.465 -8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 2.906 5.197 -9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 4.360 6.070 -9.448 1.00 0.00 H new ATOM 23 N ILE A 184 -1.314 4.922 -5.321 1.00 0.00 N ATOM 24 CA ILE A 184 -1.675 3.740 -4.521 1.00 0.00 C ATOM 25 C ILE A 184 -0.863 2.527 -4.974 1.00 0.00 C ATOM 26 O ILE A 184 -0.195 2.558 -5.989 1.00 0.00 O ATOM 27 CB ILE A 184 -3.169 3.515 -4.752 1.00 0.00 C ATOM 28 CG1 ILE A 184 -3.400 3.090 -6.205 1.00 0.00 C ATOM 29 CG2 ILE A 184 -3.937 4.808 -4.470 1.00 0.00 C ATOM 30 CD1 ILE A 184 -3.260 1.571 -6.320 1.00 0.00 C ATOM 0 H ILE A 184 -1.362 4.810 -6.334 1.00 0.00 H new ATOM 0 HA ILE A 184 -1.460 3.887 -3.463 1.00 0.00 H new ATOM 0 HB ILE A 184 -3.524 2.733 -4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.392 3.400 -6.533 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -2.680 3.583 -6.858 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -5.001 4.643 -4.636 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -3.774 5.110 -3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -3.584 5.594 -5.137 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -3.424 1.268 -7.354 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -2.259 1.273 -6.009 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -3.997 1.088 -5.679 1.00 0.00 H new ATOM 42 N PHE A 185 -0.912 1.458 -4.230 1.00 0.00 N ATOM 43 CA PHE A 185 -0.142 0.245 -4.621 1.00 0.00 C ATOM 44 C PHE A 185 -1.049 -0.987 -4.580 1.00 0.00 C ATOM 45 O PHE A 185 -1.782 -1.200 -3.641 1.00 0.00 O ATOM 46 CB PHE A 185 1.018 0.172 -3.610 1.00 0.00 C ATOM 47 CG PHE A 185 1.179 -1.216 -3.021 1.00 0.00 C ATOM 48 CD1 PHE A 185 1.257 -2.337 -3.856 1.00 0.00 C ATOM 49 CD2 PHE A 185 1.260 -1.373 -1.633 1.00 0.00 C ATOM 50 CE1 PHE A 185 1.414 -3.613 -3.303 1.00 0.00 C ATOM 51 CE2 PHE A 185 1.415 -2.648 -1.080 1.00 0.00 C ATOM 52 CZ PHE A 185 1.492 -3.768 -1.914 1.00 0.00 C ATOM 0 H PHE A 185 -1.452 1.372 -3.369 1.00 0.00 H new ATOM 0 HA PHE A 185 0.242 0.286 -5.640 1.00 0.00 H new ATOM 0 HB2 PHE A 185 1.945 0.466 -4.102 1.00 0.00 H new ATOM 0 HB3 PHE A 185 0.843 0.888 -2.807 1.00 0.00 H new ATOM 0 HD1 PHE A 185 1.196 -2.217 -4.928 1.00 0.00 H new ATOM 0 HD2 PHE A 185 1.203 -0.509 -0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 185 1.475 -4.477 -3.947 1.00 0.00 H new ATOM 0 HE2 PHE A 185 1.475 -2.768 -0.008 1.00 0.00 H new ATOM 0 HZ PHE A 185 1.612 -4.752 -1.486 1.00 0.00 H new ATOM 62 N VAL A 186 -1.003 -1.795 -5.603 1.00 0.00 N ATOM 63 CA VAL A 186 -1.865 -3.009 -5.626 1.00 0.00 C ATOM 64 C VAL A 186 -1.018 -4.270 -5.452 1.00 0.00 C ATOM 65 O VAL A 186 -0.081 -4.505 -6.189 1.00 0.00 O ATOM 66 CB VAL A 186 -2.518 -3.010 -7.006 1.00 0.00 C ATOM 67 CG1 VAL A 186 -3.531 -4.159 -7.091 1.00 0.00 C ATOM 68 CG2 VAL A 186 -3.236 -1.676 -7.238 1.00 0.00 C ATOM 0 H VAL A 186 -0.408 -1.667 -6.421 1.00 0.00 H new ATOM 0 HA VAL A 186 -2.599 -2.998 -4.820 1.00 0.00 H new ATOM 0 HB VAL A 186 -1.751 -3.144 -7.769 1.00 0.00 H new ATOM 0 HG11 VAL A 186 -3.998 -4.160 -8.076 1.00 0.00 H new ATOM 0 HG12 VAL A 186 -3.019 -5.108 -6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 186 -4.297 -4.026 -6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 186 -3.701 -1.680 -8.224 1.00 0.00 H new ATOM 0 HG22 VAL A 186 -4.003 -1.538 -6.476 1.00 0.00 H new ATOM 0 HG23 VAL A 186 -2.516 -0.860 -7.180 1.00 0.00 H new ATOM 78 N GLY A 187 -1.347 -5.091 -4.493 1.00 0.00 N ATOM 79 CA GLY A 187 -0.564 -6.340 -4.293 1.00 0.00 C ATOM 80 C GLY A 187 -1.308 -7.496 -4.946 1.00 0.00 C ATOM 81 O GLY A 187 -1.460 -8.563 -4.385 1.00 0.00 O ATOM 0 H GLY A 187 -2.120 -4.951 -3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 187 0.430 -6.236 -4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 187 -0.426 -6.533 -3.229 1.00 0.00 H new ATOM 148 N THR A 193 -0.589 -6.274 -16.363 1.00 0.00 N ATOM 149 CA THR A 193 -0.945 -4.909 -15.868 1.00 0.00 C ATOM 150 C THR A 193 -1.998 -4.275 -16.789 1.00 0.00 C ATOM 151 O THR A 193 -1.665 -3.718 -17.816 1.00 0.00 O ATOM 152 CB THR A 193 0.373 -4.129 -15.918 1.00 0.00 C ATOM 153 OG1 THR A 193 0.958 -4.275 -17.205 1.00 0.00 O ATOM 154 CG2 THR A 193 1.329 -4.677 -14.856 1.00 0.00 C ATOM 0 HA THR A 193 -1.374 -4.918 -14.866 1.00 0.00 H new ATOM 0 HB THR A 193 0.181 -3.074 -15.723 1.00 0.00 H new ATOM 0 HG1 THR A 193 0.270 -4.155 -17.893 1.00 0.00 H new ATOM 0 HG21 THR A 193 2.267 -4.123 -14.890 1.00 0.00 H new ATOM 0 HG22 THR A 193 0.879 -4.567 -13.870 1.00 0.00 H new ATOM 0 HG23 THR A 193 1.523 -5.732 -15.051 1.00 0.00 H new ATOM 162 N PRO A 194 -3.247 -4.414 -16.403 1.00 0.00 N ATOM 163 CA PRO A 194 -4.376 -3.886 -17.213 1.00 0.00 C ATOM 164 C PRO A 194 -4.478 -2.356 -17.145 1.00 0.00 C ATOM 165 O PRO A 194 -5.543 -1.828 -16.944 1.00 0.00 O ATOM 166 CB PRO A 194 -5.593 -4.527 -16.530 1.00 0.00 C ATOM 167 CG PRO A 194 -5.100 -5.385 -15.350 1.00 0.00 C ATOM 168 CD PRO A 194 -3.607 -5.109 -15.144 1.00 0.00 C ATOM 0 HA PRO A 194 -4.274 -4.116 -18.274 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -6.278 -3.756 -16.177 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -6.145 -5.142 -17.241 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -5.659 -5.144 -14.446 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -5.266 -6.443 -15.554 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -3.424 -4.487 -14.268 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -3.037 -6.028 -15.008 1.00 0.00 H new ATOM 176 N GLU A 195 -3.390 -1.649 -17.305 1.00 0.00 N ATOM 177 CA GLU A 195 -3.436 -0.145 -17.238 1.00 0.00 C ATOM 178 C GLU A 195 -4.715 0.384 -17.841 1.00 0.00 C ATOM 179 O GLU A 195 -5.528 0.970 -17.172 1.00 0.00 O ATOM 180 CB GLU A 195 -2.311 0.418 -18.118 1.00 0.00 C ATOM 181 CG GLU A 195 -1.250 -0.640 -18.449 1.00 0.00 C ATOM 182 CD GLU A 195 -0.093 0.018 -19.202 1.00 0.00 C ATOM 183 OE1 GLU A 195 -0.108 1.231 -19.330 1.00 0.00 O ATOM 184 OE2 GLU A 195 0.789 -0.703 -19.640 1.00 0.00 O ATOM 0 H GLU A 195 -2.466 -2.043 -17.480 1.00 0.00 H new ATOM 0 HA GLU A 195 -3.350 0.145 -16.191 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -2.736 0.806 -19.044 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -1.838 1.257 -17.608 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -0.885 -1.104 -17.533 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -1.688 -1.433 -19.055 1.00 0.00 H new ATOM 191 N GLU A 196 -4.885 0.219 -19.115 1.00 0.00 N ATOM 192 CA GLU A 196 -6.097 0.765 -19.743 1.00 0.00 C ATOM 193 C GLU A 196 -7.308 0.373 -18.902 1.00 0.00 C ATOM 194 O GLU A 196 -8.193 1.167 -18.639 1.00 0.00 O ATOM 195 CB GLU A 196 -6.159 0.138 -21.136 1.00 0.00 C ATOM 196 CG GLU A 196 -7.333 0.733 -21.914 1.00 0.00 C ATOM 197 CD GLU A 196 -6.928 0.929 -23.375 1.00 0.00 C ATOM 198 OE1 GLU A 196 -6.793 -0.064 -24.071 1.00 0.00 O ATOM 199 OE2 GLU A 196 -6.758 2.069 -23.774 1.00 0.00 O ATOM 0 H GLU A 196 -4.241 -0.266 -19.740 1.00 0.00 H new ATOM 0 HA GLU A 196 -6.087 1.853 -19.813 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -5.226 0.320 -21.670 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -6.274 -0.943 -21.055 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -8.198 0.072 -21.851 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -7.628 1.687 -21.476 1.00 0.00 H new ATOM 206 N LYS A 197 -7.322 -0.844 -18.445 1.00 0.00 N ATOM 207 CA LYS A 197 -8.444 -1.299 -17.580 1.00 0.00 C ATOM 208 C LYS A 197 -8.247 -0.691 -16.193 1.00 0.00 C ATOM 209 O LYS A 197 -9.185 -0.443 -15.460 1.00 0.00 O ATOM 210 CB LYS A 197 -8.330 -2.824 -17.536 1.00 0.00 C ATOM 211 CG LYS A 197 -9.229 -3.427 -18.618 1.00 0.00 C ATOM 212 CD LYS A 197 -8.837 -4.886 -18.860 1.00 0.00 C ATOM 213 CE LYS A 197 -9.006 -5.218 -20.345 1.00 0.00 C ATOM 214 NZ LYS A 197 -9.135 -6.701 -20.396 1.00 0.00 N ATOM 0 H LYS A 197 -6.605 -1.545 -18.632 1.00 0.00 H new ATOM 0 HA LYS A 197 -9.426 -0.999 -17.945 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -7.295 -3.128 -17.695 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -8.624 -3.194 -16.554 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -10.273 -3.367 -18.312 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -9.135 -2.857 -19.542 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -7.804 -5.052 -18.554 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -9.459 -5.546 -18.255 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -9.888 -4.731 -20.761 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -8.149 -4.876 -20.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -9.254 -7.005 -21.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -8.278 -7.138 -20.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -9.963 -6.997 -19.840 1.00 0.00 H new ATOM 228 N ILE A 198 -7.018 -0.425 -15.852 1.00 0.00 N ATOM 229 CA ILE A 198 -6.707 0.195 -14.544 1.00 0.00 C ATOM 230 C ILE A 198 -7.319 1.595 -14.533 1.00 0.00 C ATOM 231 O ILE A 198 -8.092 1.946 -13.669 1.00 0.00 O ATOM 232 CB ILE A 198 -5.159 0.218 -14.484 1.00 0.00 C ATOM 233 CG1 ILE A 198 -4.707 -0.372 -13.153 1.00 0.00 C ATOM 234 CG2 ILE A 198 -4.614 1.651 -14.572 1.00 0.00 C ATOM 235 CD1 ILE A 198 -5.185 -1.822 -13.037 1.00 0.00 C ATOM 0 H ILE A 198 -6.205 -0.616 -16.438 1.00 0.00 H new ATOM 0 HA ILE A 198 -7.108 -0.334 -13.679 1.00 0.00 H new ATOM 0 HB ILE A 198 -4.781 -0.359 -15.328 1.00 0.00 H new ATOM 0 HG12 ILE A 198 -3.620 -0.331 -13.077 1.00 0.00 H new ATOM 0 HG13 ILE A 198 -5.107 0.219 -12.329 1.00 0.00 H new ATOM 0 HG21 ILE A 198 -3.525 1.630 -14.527 1.00 0.00 H new ATOM 0 HG22 ILE A 198 -4.929 2.103 -15.512 1.00 0.00 H new ATOM 0 HG23 ILE A 198 -5.000 2.239 -13.739 1.00 0.00 H new ATOM 0 HD11 ILE A 198 -4.859 -2.238 -12.084 1.00 0.00 H new ATOM 0 HD12 ILE A 198 -6.273 -1.852 -13.092 1.00 0.00 H new ATOM 0 HD13 ILE A 198 -4.764 -2.410 -13.852 1.00 0.00 H new ATOM 247 N ARG A 199 -6.997 2.380 -15.518 1.00 0.00 N ATOM 248 CA ARG A 199 -7.575 3.743 -15.606 1.00 0.00 C ATOM 249 C ARG A 199 -9.093 3.631 -15.504 1.00 0.00 C ATOM 250 O ARG A 199 -9.746 4.429 -14.865 1.00 0.00 O ATOM 251 CB ARG A 199 -7.157 4.257 -16.989 1.00 0.00 C ATOM 252 CG ARG A 199 -6.046 5.297 -16.830 1.00 0.00 C ATOM 253 CD ARG A 199 -5.176 5.314 -18.089 1.00 0.00 C ATOM 254 NE ARG A 199 -5.053 6.753 -18.449 1.00 0.00 N ATOM 255 CZ ARG A 199 -4.323 7.548 -17.715 1.00 0.00 C ATOM 256 NH1 ARG A 199 -3.030 7.596 -17.891 1.00 0.00 N ATOM 257 NH2 ARG A 199 -4.885 8.296 -16.806 1.00 0.00 N ATOM 0 H ARG A 199 -6.354 2.133 -16.270 1.00 0.00 H new ATOM 0 HA ARG A 199 -7.236 4.413 -14.816 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -6.810 3.429 -17.607 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -8.013 4.698 -17.499 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -6.478 6.283 -16.661 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -5.436 5.062 -15.957 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -4.199 4.869 -17.900 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -5.636 4.743 -18.895 1.00 0.00 H new ATOM 0 HE ARG A 199 -5.539 7.118 -19.269 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -2.590 7.012 -18.602 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -2.460 8.217 -17.317 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -5.895 8.260 -16.669 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -4.314 8.917 -16.232 1.00 0.00 H new ATOM 271 N GLU A 200 -9.656 2.627 -16.120 1.00 0.00 N ATOM 272 CA GLU A 200 -11.132 2.444 -16.048 1.00 0.00 C ATOM 273 C GLU A 200 -11.566 2.303 -14.609 1.00 0.00 C ATOM 274 O GLU A 200 -12.583 2.832 -14.211 1.00 0.00 O ATOM 275 CB GLU A 200 -11.429 1.170 -16.838 1.00 0.00 C ATOM 276 CG GLU A 200 -11.515 1.500 -18.328 1.00 0.00 C ATOM 277 CD GLU A 200 -12.808 2.269 -18.606 1.00 0.00 C ATOM 278 OE1 GLU A 200 -13.793 1.990 -17.944 1.00 0.00 O ATOM 279 OE2 GLU A 200 -12.789 3.126 -19.475 1.00 0.00 O ATOM 0 H GLU A 200 -9.157 1.927 -16.669 1.00 0.00 H new ATOM 0 HA GLU A 200 -11.672 3.297 -16.459 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -10.647 0.431 -16.663 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -12.366 0.729 -16.498 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -10.653 2.095 -18.630 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -11.491 0.583 -18.917 1.00 0.00 H new ATOM 286 N TYR A 201 -10.824 1.610 -13.813 1.00 0.00 N ATOM 287 CA TYR A 201 -11.259 1.491 -12.414 1.00 0.00 C ATOM 288 C TYR A 201 -10.641 2.608 -11.588 1.00 0.00 C ATOM 289 O TYR A 201 -11.309 3.539 -11.185 1.00 0.00 O ATOM 290 CB TYR A 201 -10.771 0.133 -11.926 1.00 0.00 C ATOM 291 CG TYR A 201 -11.737 -0.411 -10.904 1.00 0.00 C ATOM 292 CD1 TYR A 201 -13.113 -0.393 -11.161 1.00 0.00 C ATOM 293 CD2 TYR A 201 -11.257 -0.934 -9.700 1.00 0.00 C ATOM 294 CE1 TYR A 201 -14.008 -0.897 -10.212 1.00 0.00 C ATOM 295 CE2 TYR A 201 -12.152 -1.438 -8.752 1.00 0.00 C ATOM 296 CZ TYR A 201 -13.529 -1.420 -9.006 1.00 0.00 C ATOM 297 OH TYR A 201 -14.411 -1.916 -8.069 1.00 0.00 O ATOM 0 H TYR A 201 -9.958 1.132 -14.061 1.00 0.00 H new ATOM 0 HA TYR A 201 -12.342 1.571 -12.321 1.00 0.00 H new ATOM 0 HB2 TYR A 201 -10.686 -0.558 -12.765 1.00 0.00 H new ATOM 0 HB3 TYR A 201 -9.777 0.228 -11.488 1.00 0.00 H new ATOM 0 HD1 TYR A 201 -13.483 0.010 -12.092 1.00 0.00 H new ATOM 0 HD2 TYR A 201 -10.195 -0.949 -9.502 1.00 0.00 H new ATOM 0 HE1 TYR A 201 -15.070 -0.883 -10.410 1.00 0.00 H new ATOM 0 HE2 TYR A 201 -11.781 -1.842 -7.822 1.00 0.00 H new ATOM 0 HH TYR A 201 -13.913 -2.241 -7.290 1.00 0.00 H new ATOM 307 N PHE A 202 -9.364 2.531 -11.339 1.00 0.00 N ATOM 308 CA PHE A 202 -8.713 3.597 -10.548 1.00 0.00 C ATOM 309 C PHE A 202 -9.006 4.941 -11.205 1.00 0.00 C ATOM 310 O PHE A 202 -9.545 5.844 -10.590 1.00 0.00 O ATOM 311 CB PHE A 202 -7.209 3.285 -10.586 1.00 0.00 C ATOM 312 CG PHE A 202 -6.948 1.896 -10.059 1.00 0.00 C ATOM 313 CD1 PHE A 202 -6.800 1.674 -8.682 1.00 0.00 C ATOM 314 CD2 PHE A 202 -6.833 0.830 -10.955 1.00 0.00 C ATOM 315 CE1 PHE A 202 -6.541 0.380 -8.207 1.00 0.00 C ATOM 316 CE2 PHE A 202 -6.577 -0.461 -10.479 1.00 0.00 C ATOM 317 CZ PHE A 202 -6.431 -0.686 -9.107 1.00 0.00 C ATOM 0 H PHE A 202 -8.750 1.778 -11.650 1.00 0.00 H new ATOM 0 HA PHE A 202 -9.072 3.641 -9.520 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -6.839 3.369 -11.608 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -6.664 4.016 -9.989 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -6.885 2.498 -7.989 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -6.942 1.002 -12.016 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -6.427 0.206 -7.147 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -6.492 -1.285 -11.173 1.00 0.00 H new ATOM 0 HZ PHE A 202 -6.233 -1.683 -8.741 1.00 0.00 H new ATOM 327 N GLY A 203 -8.695 5.071 -12.465 1.00 0.00 N ATOM 328 CA GLY A 203 -9.005 6.341 -13.161 1.00 0.00 C ATOM 329 C GLY A 203 -10.496 6.600 -12.972 1.00 0.00 C ATOM 330 O GLY A 203 -10.966 7.719 -13.034 1.00 0.00 O ATOM 0 H GLY A 203 -8.243 4.356 -13.035 1.00 0.00 H new ATOM 0 HA2 GLY A 203 -8.416 7.160 -12.749 1.00 0.00 H new ATOM 0 HA3 GLY A 203 -8.757 6.271 -14.220 1.00 0.00 H new ATOM 334 N GLY A 204 -11.238 5.554 -12.713 1.00 0.00 N ATOM 335 CA GLY A 204 -12.696 5.703 -12.482 1.00 0.00 C ATOM 336 C GLY A 204 -12.901 6.480 -11.185 1.00 0.00 C ATOM 337 O GLY A 204 -13.674 7.414 -11.128 1.00 0.00 O ATOM 0 H GLY A 204 -10.888 4.598 -12.652 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -13.160 6.229 -13.316 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -13.172 4.724 -12.417 1.00 0.00 H new ATOM 341 N PHE A 205 -12.195 6.120 -10.142 1.00 0.00 N ATOM 342 CA PHE A 205 -12.349 6.875 -8.866 1.00 0.00 C ATOM 343 C PHE A 205 -12.128 8.356 -9.152 1.00 0.00 C ATOM 344 O PHE A 205 -12.781 9.224 -8.607 1.00 0.00 O ATOM 345 CB PHE A 205 -11.249 6.346 -7.951 1.00 0.00 C ATOM 346 CG PHE A 205 -11.624 4.975 -7.455 1.00 0.00 C ATOM 347 CD1 PHE A 205 -11.339 3.848 -8.230 1.00 0.00 C ATOM 348 CD2 PHE A 205 -12.249 4.833 -6.213 1.00 0.00 C ATOM 349 CE1 PHE A 205 -11.682 2.573 -7.762 1.00 0.00 C ATOM 350 CE2 PHE A 205 -12.591 3.563 -5.743 1.00 0.00 C ATOM 351 CZ PHE A 205 -12.308 2.430 -6.517 1.00 0.00 C ATOM 0 H PHE A 205 -11.529 5.348 -10.120 1.00 0.00 H new ATOM 0 HA PHE A 205 -13.334 6.755 -8.415 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -10.303 6.303 -8.490 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -11.106 7.022 -7.108 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.855 3.960 -9.189 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -12.468 5.706 -5.616 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -11.464 1.701 -8.361 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -13.074 3.454 -4.783 1.00 0.00 H new ATOM 0 HZ PHE A 205 -12.572 1.448 -6.154 1.00 0.00 H new ATOM 361 N GLY A 206 -11.201 8.631 -10.021 1.00 0.00 N ATOM 362 CA GLY A 206 -10.890 10.035 -10.395 1.00 0.00 C ATOM 363 C GLY A 206 -9.816 9.995 -11.475 1.00 0.00 C ATOM 364 O GLY A 206 -8.951 9.143 -11.452 1.00 0.00 O ATOM 0 H GLY A 206 -10.635 7.929 -10.497 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -11.783 10.541 -10.761 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -10.540 10.594 -9.527 1.00 0.00 H new ATOM 368 N GLU A 207 -9.865 10.883 -12.430 1.00 0.00 N ATOM 369 CA GLU A 207 -8.834 10.851 -13.504 1.00 0.00 C ATOM 370 C GLU A 207 -7.461 10.577 -12.901 1.00 0.00 C ATOM 371 O GLU A 207 -7.134 11.044 -11.827 1.00 0.00 O ATOM 372 CB GLU A 207 -8.863 12.228 -14.155 1.00 0.00 C ATOM 373 CG GLU A 207 -8.944 13.307 -13.075 1.00 0.00 C ATOM 374 CD GLU A 207 -10.295 14.019 -13.165 1.00 0.00 C ATOM 375 OE1 GLU A 207 -11.260 13.372 -13.537 1.00 0.00 O ATOM 376 OE2 GLU A 207 -10.342 15.200 -12.861 1.00 0.00 O ATOM 0 H GLU A 207 -10.565 11.620 -12.513 1.00 0.00 H new ATOM 0 HA GLU A 207 -9.034 10.064 -14.231 1.00 0.00 H new ATOM 0 HB2 GLU A 207 -7.969 12.373 -14.761 1.00 0.00 H new ATOM 0 HB3 GLU A 207 -9.719 12.306 -14.825 1.00 0.00 H new ATOM 0 HG2 GLU A 207 -8.822 12.859 -12.089 1.00 0.00 H new ATOM 0 HG3 GLU A 207 -8.134 14.025 -13.202 1.00 0.00 H new ATOM 383 N VAL A 208 -6.665 9.806 -13.575 1.00 0.00 N ATOM 384 CA VAL A 208 -5.322 9.474 -13.048 1.00 0.00 C ATOM 385 C VAL A 208 -4.254 10.302 -13.749 1.00 0.00 C ATOM 386 O VAL A 208 -4.405 10.702 -14.887 1.00 0.00 O ATOM 387 CB VAL A 208 -5.141 7.996 -13.397 1.00 0.00 C ATOM 388 CG1 VAL A 208 -3.655 7.624 -13.335 1.00 0.00 C ATOM 389 CG2 VAL A 208 -5.930 7.141 -12.406 1.00 0.00 C ATOM 0 H VAL A 208 -6.890 9.388 -14.478 1.00 0.00 H new ATOM 0 HA VAL A 208 -5.233 9.677 -11.981 1.00 0.00 H new ATOM 0 HB VAL A 208 -5.509 7.815 -14.407 1.00 0.00 H new ATOM 0 HG11 VAL A 208 -3.533 6.570 -13.585 1.00 0.00 H new ATOM 0 HG12 VAL A 208 -3.098 8.232 -14.047 1.00 0.00 H new ATOM 0 HG13 VAL A 208 -3.276 7.805 -12.329 1.00 0.00 H new ATOM 0 HG21 VAL A 208 -5.803 6.087 -12.653 1.00 0.00 H new ATOM 0 HG22 VAL A 208 -5.564 7.324 -11.396 1.00 0.00 H new ATOM 0 HG23 VAL A 208 -6.987 7.401 -12.462 1.00 0.00 H new ATOM 399 N GLU A 209 -3.150 10.512 -13.099 1.00 0.00 N ATOM 400 CA GLU A 209 -2.050 11.254 -13.751 1.00 0.00 C ATOM 401 C GLU A 209 -1.225 10.217 -14.497 1.00 0.00 C ATOM 402 O GLU A 209 -1.108 10.246 -15.706 1.00 0.00 O ATOM 403 CB GLU A 209 -1.247 11.888 -12.615 1.00 0.00 C ATOM 404 CG GLU A 209 -0.262 12.905 -13.192 1.00 0.00 C ATOM 405 CD GLU A 209 -0.405 14.233 -12.449 1.00 0.00 C ATOM 406 OE1 GLU A 209 -1.528 14.608 -12.156 1.00 0.00 O ATOM 407 OE2 GLU A 209 0.611 14.854 -12.184 1.00 0.00 O ATOM 0 H GLU A 209 -2.964 10.201 -12.145 1.00 0.00 H new ATOM 0 HA GLU A 209 -2.375 12.027 -14.448 1.00 0.00 H new ATOM 0 HB2 GLU A 209 -1.919 12.377 -11.909 1.00 0.00 H new ATOM 0 HB3 GLU A 209 -0.709 11.118 -12.062 1.00 0.00 H new ATOM 0 HG2 GLU A 209 0.758 12.532 -13.099 1.00 0.00 H new ATOM 0 HG3 GLU A 209 -0.453 13.049 -14.255 1.00 0.00 H new ATOM 414 N SER A 210 -0.706 9.260 -13.781 1.00 0.00 N ATOM 415 CA SER A 210 0.049 8.173 -14.434 1.00 0.00 C ATOM 416 C SER A 210 -0.050 6.946 -13.547 1.00 0.00 C ATOM 417 O SER A 210 -0.503 7.029 -12.427 1.00 0.00 O ATOM 418 CB SER A 210 1.490 8.670 -14.543 1.00 0.00 C ATOM 419 OG SER A 210 1.495 10.091 -14.577 1.00 0.00 O ATOM 0 H SER A 210 -0.777 9.190 -12.766 1.00 0.00 H new ATOM 0 HA SER A 210 -0.330 7.911 -15.422 1.00 0.00 H new ATOM 0 HB2 SER A 210 2.075 8.313 -13.696 1.00 0.00 H new ATOM 0 HB3 SER A 210 1.957 8.271 -15.444 1.00 0.00 H new ATOM 0 HG SER A 210 2.418 10.413 -14.645 1.00 0.00 H new ATOM 425 N ILE A 211 0.368 5.812 -14.007 1.00 0.00 N ATOM 426 CA ILE A 211 0.286 4.623 -13.129 1.00 0.00 C ATOM 427 C ILE A 211 1.677 4.063 -12.892 1.00 0.00 C ATOM 428 O ILE A 211 2.674 4.659 -13.247 1.00 0.00 O ATOM 429 CB ILE A 211 -0.569 3.601 -13.859 1.00 0.00 C ATOM 430 CG1 ILE A 211 0.011 3.342 -15.250 1.00 0.00 C ATOM 431 CG2 ILE A 211 -1.997 4.126 -13.986 1.00 0.00 C ATOM 432 CD1 ILE A 211 -0.390 1.941 -15.715 1.00 0.00 C ATOM 0 H ILE A 211 0.757 5.655 -14.937 1.00 0.00 H new ATOM 0 HA ILE A 211 -0.146 4.875 -12.160 1.00 0.00 H new ATOM 0 HB ILE A 211 -0.576 2.668 -13.295 1.00 0.00 H new ATOM 0 HG12 ILE A 211 -0.355 4.089 -15.954 1.00 0.00 H new ATOM 0 HG13 ILE A 211 1.097 3.432 -15.226 1.00 0.00 H new ATOM 0 HG21 ILE A 211 -2.609 3.392 -14.510 1.00 0.00 H new ATOM 0 HG22 ILE A 211 -2.410 4.301 -12.993 1.00 0.00 H new ATOM 0 HG23 ILE A 211 -1.992 5.061 -14.546 1.00 0.00 H new ATOM 0 HD11 ILE A 211 0.023 1.755 -16.707 1.00 0.00 H new ATOM 0 HD12 ILE A 211 -0.002 1.201 -15.016 1.00 0.00 H new ATOM 0 HD13 ILE A 211 -1.477 1.868 -15.755 1.00 0.00 H new ATOM 444 N GLU A 212 1.748 2.919 -12.297 1.00 0.00 N ATOM 445 CA GLU A 212 3.067 2.299 -12.032 1.00 0.00 C ATOM 446 C GLU A 212 2.912 0.784 -12.031 1.00 0.00 C ATOM 447 O GLU A 212 2.109 0.239 -11.312 1.00 0.00 O ATOM 448 CB GLU A 212 3.465 2.812 -10.652 1.00 0.00 C ATOM 449 CG GLU A 212 4.644 1.992 -10.125 1.00 0.00 C ATOM 450 CD GLU A 212 5.746 1.947 -11.184 1.00 0.00 C ATOM 451 OE1 GLU A 212 6.510 2.896 -11.257 1.00 0.00 O ATOM 452 OE2 GLU A 212 5.809 0.964 -11.904 1.00 0.00 O ATOM 0 H GLU A 212 0.944 2.379 -11.978 1.00 0.00 H new ATOM 0 HA GLU A 212 3.820 2.546 -12.780 1.00 0.00 H new ATOM 0 HB2 GLU A 212 3.737 3.866 -10.708 1.00 0.00 H new ATOM 0 HB3 GLU A 212 2.621 2.737 -9.967 1.00 0.00 H new ATOM 0 HG2 GLU A 212 5.026 2.434 -9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 212 4.318 0.981 -9.881 1.00 0.00 H new ATOM 459 N LEU A 213 3.649 0.090 -12.835 1.00 0.00 N ATOM 460 CA LEU A 213 3.486 -1.384 -12.850 1.00 0.00 C ATOM 461 C LEU A 213 4.596 -2.054 -12.069 1.00 0.00 C ATOM 462 O LEU A 213 5.500 -1.398 -11.591 1.00 0.00 O ATOM 463 CB LEU A 213 3.523 -1.771 -14.318 1.00 0.00 C ATOM 464 CG LEU A 213 2.238 -1.288 -15.009 1.00 0.00 C ATOM 465 CD1 LEU A 213 1.032 -1.488 -14.079 1.00 0.00 C ATOM 466 CD2 LEU A 213 2.376 0.198 -15.343 1.00 0.00 C ATOM 0 H LEU A 213 4.348 0.468 -13.475 1.00 0.00 H new ATOM 0 HA LEU A 213 2.556 -1.702 -12.378 1.00 0.00 H new ATOM 0 HB2 LEU A 213 4.395 -1.329 -14.799 1.00 0.00 H new ATOM 0 HB3 LEU A 213 3.617 -2.852 -14.418 1.00 0.00 H new ATOM 0 HG LEU A 213 2.084 -1.863 -15.922 1.00 0.00 H new ATOM 0 HD11 LEU A 213 0.127 -1.143 -14.578 1.00 0.00 H new ATOM 0 HD12 LEU A 213 0.931 -2.546 -13.836 1.00 0.00 H new ATOM 0 HD13 LEU A 213 1.181 -0.918 -13.162 1.00 0.00 H new ATOM 0 HD21 LEU A 213 1.467 0.547 -15.834 1.00 0.00 H new ATOM 0 HD22 LEU A 213 2.533 0.764 -14.425 1.00 0.00 H new ATOM 0 HD23 LEU A 213 3.227 0.344 -16.009 1.00 0.00 H new ATOM 478 N PRO A 214 4.481 -3.346 -11.920 1.00 0.00 N ATOM 479 CA PRO A 214 5.475 -4.077 -11.142 1.00 0.00 C ATOM 480 C PRO A 214 6.824 -4.107 -11.870 1.00 0.00 C ATOM 481 O PRO A 214 7.103 -5.003 -12.642 1.00 0.00 O ATOM 482 CB PRO A 214 4.856 -5.474 -11.022 1.00 0.00 C ATOM 483 CG PRO A 214 3.499 -5.465 -11.749 1.00 0.00 C ATOM 484 CD PRO A 214 3.374 -4.138 -12.504 1.00 0.00 C ATOM 0 HA PRO A 214 5.689 -3.629 -10.172 1.00 0.00 H new ATOM 0 HB2 PRO A 214 5.517 -6.221 -11.461 1.00 0.00 H new ATOM 0 HB3 PRO A 214 4.724 -5.742 -9.974 1.00 0.00 H new ATOM 0 HG2 PRO A 214 3.432 -6.305 -12.441 1.00 0.00 H new ATOM 0 HG3 PRO A 214 2.683 -5.575 -11.034 1.00 0.00 H new ATOM 0 HD2 PRO A 214 3.489 -4.268 -13.580 1.00 0.00 H new ATOM 0 HD3 PRO A 214 2.405 -3.666 -12.342 1.00 0.00 H new ATOM 662 N PHE A 225 4.529 -6.067 -6.990 1.00 0.00 N ATOM 663 CA PHE A 225 3.196 -5.393 -6.997 1.00 0.00 C ATOM 664 C PHE A 225 3.110 -4.359 -8.123 1.00 0.00 C ATOM 665 O PHE A 225 4.057 -4.122 -8.843 1.00 0.00 O ATOM 666 CB PHE A 225 3.069 -4.717 -5.627 1.00 0.00 C ATOM 667 CG PHE A 225 4.405 -4.160 -5.176 1.00 0.00 C ATOM 668 CD1 PHE A 225 5.234 -3.482 -6.079 1.00 0.00 C ATOM 669 CD2 PHE A 225 4.809 -4.322 -3.844 1.00 0.00 C ATOM 670 CE1 PHE A 225 6.463 -2.968 -5.651 1.00 0.00 C ATOM 671 CE2 PHE A 225 6.039 -3.807 -3.418 1.00 0.00 C ATOM 672 CZ PHE A 225 6.866 -3.129 -4.320 1.00 0.00 C ATOM 0 HA PHE A 225 2.389 -6.105 -7.171 1.00 0.00 H new ATOM 0 HB2 PHE A 225 2.334 -3.914 -5.679 1.00 0.00 H new ATOM 0 HB3 PHE A 225 2.704 -5.436 -4.894 1.00 0.00 H new ATOM 0 HD1 PHE A 225 4.924 -3.356 -7.106 1.00 0.00 H new ATOM 0 HD2 PHE A 225 4.171 -4.844 -3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 225 7.102 -2.446 -6.348 1.00 0.00 H new ATOM 0 HE2 PHE A 225 6.350 -3.933 -2.391 1.00 0.00 H new ATOM 0 HZ PHE A 225 7.814 -2.730 -3.990 1.00 0.00 H new ATOM 682 N CYS A 226 1.975 -3.740 -8.265 1.00 0.00 N ATOM 683 CA CYS A 226 1.790 -2.707 -9.331 1.00 0.00 C ATOM 684 C CYS A 226 1.204 -1.432 -8.693 1.00 0.00 C ATOM 685 O CYS A 226 0.103 -1.449 -8.181 1.00 0.00 O ATOM 686 CB CYS A 226 0.769 -3.303 -10.317 1.00 0.00 C ATOM 687 SG CYS A 226 -0.439 -4.352 -9.464 1.00 0.00 S ATOM 0 H CYS A 226 1.154 -3.904 -7.683 1.00 0.00 H new ATOM 0 HA CYS A 226 2.727 -2.452 -9.826 1.00 0.00 H new ATOM 0 HB2 CYS A 226 0.251 -2.498 -10.838 1.00 0.00 H new ATOM 0 HB3 CYS A 226 1.291 -3.888 -11.074 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.283 -4.833 -10.328 1.00 0.00 H new ATOM 693 N PHE A 227 1.909 -0.329 -8.712 1.00 0.00 N ATOM 694 CA PHE A 227 1.337 0.914 -8.094 1.00 0.00 C ATOM 695 C PHE A 227 0.615 1.749 -9.149 1.00 0.00 C ATOM 696 O PHE A 227 0.409 1.332 -10.268 1.00 0.00 O ATOM 697 CB PHE A 227 2.511 1.741 -7.538 1.00 0.00 C ATOM 698 CG PHE A 227 3.090 1.135 -6.278 1.00 0.00 C ATOM 699 CD1 PHE A 227 3.317 -0.245 -6.178 1.00 0.00 C ATOM 700 CD2 PHE A 227 3.420 1.977 -5.206 1.00 0.00 C ATOM 701 CE1 PHE A 227 3.871 -0.779 -5.005 1.00 0.00 C ATOM 702 CE2 PHE A 227 3.977 1.443 -4.038 1.00 0.00 C ATOM 703 CZ PHE A 227 4.203 0.065 -3.937 1.00 0.00 C ATOM 0 H PHE A 227 2.839 -0.231 -9.120 1.00 0.00 H new ATOM 0 HA PHE A 227 0.629 0.644 -7.311 1.00 0.00 H new ATOM 0 HB2 PHE A 227 3.291 1.816 -8.295 1.00 0.00 H new ATOM 0 HB3 PHE A 227 2.172 2.756 -7.329 1.00 0.00 H new ATOM 0 HD1 PHE A 227 3.066 -0.896 -7.003 1.00 0.00 H new ATOM 0 HD2 PHE A 227 3.244 3.040 -5.282 1.00 0.00 H new ATOM 0 HE1 PHE A 227 4.042 -1.842 -4.925 1.00 0.00 H new ATOM 0 HE2 PHE A 227 4.232 2.094 -3.215 1.00 0.00 H new ATOM 0 HZ PHE A 227 4.633 -0.347 -3.036 1.00 0.00 H new ATOM 713 N ILE A 228 0.252 2.939 -8.783 1.00 0.00 N ATOM 714 CA ILE A 228 -0.437 3.862 -9.723 1.00 0.00 C ATOM 715 C ILE A 228 -0.415 5.262 -9.094 1.00 0.00 C ATOM 716 O ILE A 228 -0.692 5.408 -7.920 1.00 0.00 O ATOM 717 CB ILE A 228 -1.876 3.337 -9.825 1.00 0.00 C ATOM 718 CG1 ILE A 228 -1.920 2.177 -10.835 1.00 0.00 C ATOM 719 CG2 ILE A 228 -2.805 4.475 -10.273 1.00 0.00 C ATOM 720 CD1 ILE A 228 -3.287 2.108 -11.525 1.00 0.00 C ATOM 0 H ILE A 228 0.406 3.322 -7.850 1.00 0.00 H new ATOM 0 HA ILE A 228 0.027 3.913 -10.708 1.00 0.00 H new ATOM 0 HB ILE A 228 -2.211 2.974 -8.853 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -1.137 2.309 -11.582 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -1.718 1.236 -10.324 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.827 4.103 -10.346 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -2.765 5.285 -9.545 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.484 4.845 -11.246 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -3.295 1.281 -12.235 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -4.065 1.952 -10.777 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -3.475 3.042 -12.055 1.00 0.00 H new ATOM 732 N THR A 229 -0.093 6.295 -9.827 1.00 0.00 N ATOM 733 CA THR A 229 -0.077 7.637 -9.186 1.00 0.00 C ATOM 734 C THR A 229 -1.220 8.470 -9.724 1.00 0.00 C ATOM 735 O THR A 229 -1.537 8.441 -10.896 1.00 0.00 O ATOM 736 CB THR A 229 1.274 8.260 -9.546 1.00 0.00 C ATOM 737 OG1 THR A 229 1.517 9.380 -8.702 1.00 0.00 O ATOM 738 CG2 THR A 229 1.261 8.717 -11.003 1.00 0.00 C ATOM 0 H THR A 229 0.153 6.269 -10.816 1.00 0.00 H new ATOM 0 HA THR A 229 -0.200 7.579 -8.105 1.00 0.00 H new ATOM 0 HB THR A 229 2.061 7.518 -9.408 1.00 0.00 H new ATOM 0 HG1 THR A 229 2.382 9.779 -8.930 1.00 0.00 H new ATOM 0 HG21 THR A 229 2.225 9.160 -11.254 1.00 0.00 H new ATOM 0 HG22 THR A 229 1.075 7.861 -11.651 1.00 0.00 H new ATOM 0 HG23 THR A 229 0.474 9.457 -11.145 1.00 0.00 H new ATOM 746 N PHE A 230 -1.844 9.204 -8.874 1.00 0.00 N ATOM 747 CA PHE A 230 -2.990 10.044 -9.345 1.00 0.00 C ATOM 748 C PHE A 230 -2.568 11.501 -9.520 1.00 0.00 C ATOM 749 O PHE A 230 -1.400 11.831 -9.525 1.00 0.00 O ATOM 750 CB PHE A 230 -4.061 9.943 -8.261 1.00 0.00 C ATOM 751 CG PHE A 230 -4.728 8.591 -8.330 1.00 0.00 C ATOM 752 CD1 PHE A 230 -4.185 7.505 -7.632 1.00 0.00 C ATOM 753 CD2 PHE A 230 -5.888 8.422 -9.095 1.00 0.00 C ATOM 754 CE1 PHE A 230 -4.804 6.252 -7.697 1.00 0.00 C ATOM 755 CE2 PHE A 230 -6.507 7.168 -9.161 1.00 0.00 C ATOM 756 CZ PHE A 230 -5.964 6.083 -8.461 1.00 0.00 C ATOM 0 H PHE A 230 -1.626 9.271 -7.880 1.00 0.00 H new ATOM 0 HA PHE A 230 -3.352 9.696 -10.312 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -3.612 10.088 -7.278 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -4.802 10.732 -8.393 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -3.289 7.635 -7.044 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -6.306 9.259 -9.634 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -4.386 5.415 -7.157 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -7.402 7.037 -9.751 1.00 0.00 H new ATOM 0 HZ PHE A 230 -6.441 5.115 -8.511 1.00 0.00 H new ATOM 766 N LYS A 231 -3.524 12.372 -9.643 1.00 0.00 N ATOM 767 CA LYS A 231 -3.215 13.816 -9.792 1.00 0.00 C ATOM 768 C LYS A 231 -3.210 14.458 -8.406 1.00 0.00 C ATOM 769 O LYS A 231 -2.191 14.900 -7.911 1.00 0.00 O ATOM 770 CB LYS A 231 -4.365 14.356 -10.637 1.00 0.00 C ATOM 771 CG LYS A 231 -4.466 15.874 -10.463 1.00 0.00 C ATOM 772 CD LYS A 231 -5.242 16.474 -11.636 1.00 0.00 C ATOM 773 CE LYS A 231 -5.854 17.811 -11.210 1.00 0.00 C ATOM 774 NZ LYS A 231 -5.893 18.632 -12.454 1.00 0.00 N ATOM 0 H LYS A 231 -4.518 12.142 -9.647 1.00 0.00 H new ATOM 0 HA LYS A 231 -2.247 14.017 -10.251 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -4.204 14.111 -11.687 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -5.301 13.883 -10.339 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -4.967 16.110 -9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.469 16.311 -10.412 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -4.579 16.620 -12.488 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -6.026 15.788 -11.956 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -6.853 17.674 -10.796 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -5.253 18.292 -10.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -6.301 19.565 -12.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -4.927 18.752 -12.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -6.478 18.153 -13.168 1.00 0.00 H new ATOM 788 N GLU A 232 -4.347 14.484 -7.766 1.00 0.00 N ATOM 789 CA GLU A 232 -4.428 15.065 -6.398 1.00 0.00 C ATOM 790 C GLU A 232 -4.454 13.924 -5.377 1.00 0.00 C ATOM 791 O GLU A 232 -4.645 12.782 -5.728 1.00 0.00 O ATOM 792 CB GLU A 232 -5.742 15.846 -6.371 1.00 0.00 C ATOM 793 CG GLU A 232 -5.462 17.310 -6.027 1.00 0.00 C ATOM 794 CD GLU A 232 -6.601 17.859 -5.165 1.00 0.00 C ATOM 795 OE1 GLU A 232 -7.733 17.813 -5.616 1.00 0.00 O ATOM 796 OE2 GLU A 232 -6.321 18.315 -4.069 1.00 0.00 O ATOM 0 H GLU A 232 -5.228 14.125 -8.135 1.00 0.00 H new ATOM 0 HA GLU A 232 -3.582 15.708 -6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 232 -6.237 15.778 -7.340 1.00 0.00 H new ATOM 0 HB3 GLU A 232 -6.419 15.412 -5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 232 -4.515 17.395 -5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 232 -5.367 17.897 -6.940 1.00 0.00 H new ATOM 803 N GLU A 233 -4.258 14.220 -4.127 1.00 0.00 N ATOM 804 CA GLU A 233 -4.266 13.140 -3.092 1.00 0.00 C ATOM 805 C GLU A 233 -5.683 12.545 -2.935 1.00 0.00 C ATOM 806 O GLU A 233 -5.862 11.455 -2.420 1.00 0.00 O ATOM 807 CB GLU A 233 -3.851 13.855 -1.805 1.00 0.00 C ATOM 808 CG GLU A 233 -4.707 15.110 -1.618 1.00 0.00 C ATOM 809 CD GLU A 233 -5.260 15.146 -0.192 1.00 0.00 C ATOM 810 OE1 GLU A 233 -4.885 14.290 0.591 1.00 0.00 O ATOM 811 OE2 GLU A 233 -6.051 16.031 0.093 1.00 0.00 O ATOM 0 H GLU A 233 -4.092 15.161 -3.771 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.606 12.312 -3.351 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -3.973 13.189 -0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -2.796 14.125 -1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -4.110 16.002 -1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -5.526 15.114 -2.337 1.00 0.00 H new ATOM 818 N GLU A 234 -6.685 13.271 -3.356 1.00 0.00 N ATOM 819 CA GLU A 234 -8.102 12.793 -3.220 1.00 0.00 C ATOM 820 C GLU A 234 -8.345 11.403 -3.853 1.00 0.00 C ATOM 821 O GLU A 234 -8.861 10.521 -3.188 1.00 0.00 O ATOM 822 CB GLU A 234 -8.942 13.863 -3.921 1.00 0.00 C ATOM 823 CG GLU A 234 -10.414 13.449 -3.904 1.00 0.00 C ATOM 824 CD GLU A 234 -11.168 14.204 -5.001 1.00 0.00 C ATOM 825 OE1 GLU A 234 -10.512 14.765 -5.864 1.00 0.00 O ATOM 826 OE2 GLU A 234 -12.387 14.209 -4.960 1.00 0.00 O ATOM 0 H GLU A 234 -6.585 14.187 -3.794 1.00 0.00 H new ATOM 0 HA GLU A 234 -8.363 12.663 -2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -8.818 14.823 -3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -8.602 13.992 -4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -10.502 12.374 -4.061 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -10.853 13.666 -2.930 1.00 0.00 H new ATOM 833 N PRO A 235 -7.995 11.229 -5.110 1.00 0.00 N ATOM 834 CA PRO A 235 -8.218 9.925 -5.779 1.00 0.00 C ATOM 835 C PRO A 235 -7.803 8.758 -4.880 1.00 0.00 C ATOM 836 O PRO A 235 -8.469 7.743 -4.833 1.00 0.00 O ATOM 837 CB PRO A 235 -7.343 10.043 -7.032 1.00 0.00 C ATOM 838 CG PRO A 235 -6.686 11.437 -7.029 1.00 0.00 C ATOM 839 CD PRO A 235 -7.355 12.278 -5.931 1.00 0.00 C ATOM 0 HA PRO A 235 -9.263 9.721 -6.012 1.00 0.00 H new ATOM 0 HB2 PRO A 235 -6.581 9.263 -7.039 1.00 0.00 H new ATOM 0 HB3 PRO A 235 -7.945 9.908 -7.931 1.00 0.00 H new ATOM 0 HG2 PRO A 235 -5.615 11.353 -6.844 1.00 0.00 H new ATOM 0 HG3 PRO A 235 -6.805 11.916 -8.001 1.00 0.00 H new ATOM 0 HD2 PRO A 235 -6.631 12.861 -5.361 1.00 0.00 H new ATOM 0 HD3 PRO A 235 -8.081 12.982 -6.338 1.00 0.00 H new ATOM 847 N VAL A 236 -6.732 8.887 -4.147 1.00 0.00 N ATOM 848 CA VAL A 236 -6.337 7.765 -3.248 1.00 0.00 C ATOM 849 C VAL A 236 -7.261 7.738 -2.047 1.00 0.00 C ATOM 850 O VAL A 236 -7.589 6.696 -1.531 1.00 0.00 O ATOM 851 CB VAL A 236 -4.919 8.058 -2.794 1.00 0.00 C ATOM 852 CG1 VAL A 236 -4.545 7.088 -1.673 1.00 0.00 C ATOM 853 CG2 VAL A 236 -3.980 7.861 -3.968 1.00 0.00 C ATOM 0 H VAL A 236 -6.122 9.705 -4.130 1.00 0.00 H new ATOM 0 HA VAL A 236 -6.399 6.802 -3.755 1.00 0.00 H new ATOM 0 HB VAL A 236 -4.844 9.083 -2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -3.527 7.291 -1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -5.232 7.216 -0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -4.609 6.064 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -2.957 8.069 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -4.050 6.832 -4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -4.258 8.540 -4.774 1.00 0.00 H new ATOM 863 N LYS A 237 -7.697 8.878 -1.601 1.00 0.00 N ATOM 864 CA LYS A 237 -8.620 8.893 -0.437 1.00 0.00 C ATOM 865 C LYS A 237 -9.691 7.846 -0.668 1.00 0.00 C ATOM 866 O LYS A 237 -10.024 7.053 0.195 1.00 0.00 O ATOM 867 CB LYS A 237 -9.272 10.268 -0.445 1.00 0.00 C ATOM 868 CG LYS A 237 -9.231 10.869 0.961 1.00 0.00 C ATOM 869 CD LYS A 237 -10.592 11.487 1.288 1.00 0.00 C ATOM 870 CE LYS A 237 -10.415 12.971 1.621 1.00 0.00 C ATOM 871 NZ LYS A 237 -9.643 12.989 2.896 1.00 0.00 N ATOM 0 H LYS A 237 -7.458 9.792 -1.986 1.00 0.00 H new ATOM 0 HA LYS A 237 -8.107 8.691 0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 237 -8.753 10.922 -1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 237 -10.304 10.189 -0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 237 -8.984 10.098 1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 237 -8.451 11.627 1.022 1.00 0.00 H new ATOM 0 HD2 LYS A 237 -11.268 11.372 0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 237 -11.046 10.966 2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 237 -9.880 13.493 0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 237 -11.378 13.468 1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 -9.898 13.835 3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 -9.867 12.137 3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 -8.625 13.007 2.685 1.00 0.00 H new ATOM 885 N LYS A 238 -10.228 7.844 -1.850 1.00 0.00 N ATOM 886 CA LYS A 238 -11.286 6.860 -2.165 1.00 0.00 C ATOM 887 C LYS A 238 -10.687 5.472 -2.268 1.00 0.00 C ATOM 888 O LYS A 238 -11.017 4.575 -1.517 1.00 0.00 O ATOM 889 CB LYS A 238 -11.845 7.264 -3.525 1.00 0.00 C ATOM 890 CG LYS A 238 -13.372 7.332 -3.451 1.00 0.00 C ATOM 891 CD LYS A 238 -13.812 8.781 -3.233 1.00 0.00 C ATOM 892 CE LYS A 238 -15.282 8.808 -2.808 1.00 0.00 C ATOM 893 NZ LYS A 238 -15.248 8.789 -1.319 1.00 0.00 N ATOM 0 H LYS A 238 -9.980 8.480 -2.608 1.00 0.00 H new ATOM 0 HA LYS A 238 -12.055 6.845 -1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -11.442 8.232 -3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -11.539 6.544 -4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -13.808 6.944 -4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -13.735 6.705 -2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -13.192 9.250 -2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -13.676 9.356 -4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -15.785 9.700 -3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -15.824 7.948 -3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -16.220 8.806 -0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -14.769 7.925 -0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -14.732 9.623 -0.973 1.00 0.00 H new ATOM 907 N ILE A 239 -9.812 5.290 -3.209 1.00 0.00 N ATOM 908 CA ILE A 239 -9.191 3.956 -3.384 1.00 0.00 C ATOM 909 C ILE A 239 -8.742 3.420 -2.024 1.00 0.00 C ATOM 910 O ILE A 239 -9.259 2.443 -1.520 1.00 0.00 O ATOM 911 CB ILE A 239 -7.989 4.181 -4.300 1.00 0.00 C ATOM 912 CG1 ILE A 239 -8.478 4.525 -5.709 1.00 0.00 C ATOM 913 CG2 ILE A 239 -7.144 2.906 -4.353 1.00 0.00 C ATOM 914 CD1 ILE A 239 -9.196 3.316 -6.312 1.00 0.00 C ATOM 0 H ILE A 239 -9.500 6.007 -3.864 1.00 0.00 H new ATOM 0 HA ILE A 239 -9.882 3.228 -3.810 1.00 0.00 H new ATOM 0 HB ILE A 239 -7.386 5.003 -3.913 1.00 0.00 H new ATOM 0 HG12 ILE A 239 -9.153 5.380 -5.672 1.00 0.00 H new ATOM 0 HG13 ILE A 239 -7.635 4.811 -6.338 1.00 0.00 H new ATOM 0 HG21 ILE A 239 -6.286 3.065 -5.006 1.00 0.00 H new ATOM 0 HG22 ILE A 239 -6.796 2.658 -3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 239 -7.748 2.085 -4.740 1.00 0.00 H new ATOM 0 HD11 ILE A 239 -9.544 3.562 -7.315 1.00 0.00 H new ATOM 0 HD12 ILE A 239 -8.508 2.472 -6.363 1.00 0.00 H new ATOM 0 HD13 ILE A 239 -10.049 3.051 -5.687 1.00 0.00 H new ATOM 926 N MET A 240 -7.789 4.067 -1.418 1.00 0.00 N ATOM 927 CA MET A 240 -7.313 3.610 -0.082 1.00 0.00 C ATOM 928 C MET A 240 -8.509 3.249 0.807 1.00 0.00 C ATOM 929 O MET A 240 -8.436 2.350 1.621 1.00 0.00 O ATOM 930 CB MET A 240 -6.552 4.803 0.496 1.00 0.00 C ATOM 931 CG MET A 240 -6.238 4.542 1.969 1.00 0.00 C ATOM 932 SD MET A 240 -5.136 3.112 2.106 1.00 0.00 S ATOM 933 CE MET A 240 -4.842 3.223 3.888 1.00 0.00 C ATOM 0 H MET A 240 -7.318 4.892 -1.788 1.00 0.00 H new ATOM 0 HA MET A 240 -6.685 2.721 -0.146 1.00 0.00 H new ATOM 0 HB2 MET A 240 -5.629 4.963 -0.061 1.00 0.00 H new ATOM 0 HB3 MET A 240 -7.147 5.711 0.395 1.00 0.00 H new ATOM 0 HG2 MET A 240 -5.769 5.420 2.413 1.00 0.00 H new ATOM 0 HG3 MET A 240 -7.160 4.359 2.522 1.00 0.00 H new ATOM 0 HE1 MET A 240 -4.118 2.464 4.185 1.00 0.00 H new ATOM 0 HE2 MET A 240 -4.452 4.211 4.132 1.00 0.00 H new ATOM 0 HE3 MET A 240 -5.778 3.061 4.422 1.00 0.00 H new ATOM 943 N GLU A 241 -9.611 3.941 0.660 1.00 0.00 N ATOM 944 CA GLU A 241 -10.807 3.627 1.501 1.00 0.00 C ATOM 945 C GLU A 241 -11.383 2.249 1.139 1.00 0.00 C ATOM 946 O GLU A 241 -12.323 1.782 1.752 1.00 0.00 O ATOM 947 CB GLU A 241 -11.817 4.730 1.180 1.00 0.00 C ATOM 948 CG GLU A 241 -12.224 5.439 2.472 1.00 0.00 C ATOM 949 CD GLU A 241 -11.652 6.859 2.478 1.00 0.00 C ATOM 950 OE1 GLU A 241 -10.444 6.989 2.596 1.00 0.00 O ATOM 951 OE2 GLU A 241 -12.432 7.790 2.364 1.00 0.00 O ATOM 0 H GLU A 241 -9.734 4.706 -0.003 1.00 0.00 H new ATOM 0 HA GLU A 241 -10.559 3.591 2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 241 -11.382 5.445 0.482 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -12.695 4.304 0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -13.310 5.473 2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 241 -11.856 4.884 3.335 1.00 0.00 H new ATOM 958 N LYS A 242 -10.822 1.594 0.159 1.00 0.00 N ATOM 959 CA LYS A 242 -11.328 0.246 -0.234 1.00 0.00 C ATOM 960 C LYS A 242 -10.140 -0.694 -0.439 1.00 0.00 C ATOM 961 O LYS A 242 -10.015 -1.342 -1.454 1.00 0.00 O ATOM 962 CB LYS A 242 -12.081 0.465 -1.547 1.00 0.00 C ATOM 963 CG LYS A 242 -13.540 0.044 -1.373 1.00 0.00 C ATOM 964 CD LYS A 242 -14.285 1.105 -0.558 1.00 0.00 C ATOM 965 CE LYS A 242 -15.237 0.421 0.426 1.00 0.00 C ATOM 966 NZ LYS A 242 -16.171 1.494 0.868 1.00 0.00 N ATOM 0 H LYS A 242 -10.032 1.935 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 242 -11.974 -0.201 0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -12.026 1.514 -1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -11.617 -0.114 -2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -14.013 -0.079 -2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -13.593 -0.921 -0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -13.573 1.729 -0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -14.844 1.763 -1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -15.775 -0.399 -0.050 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -14.694 -0.002 1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -16.855 1.101 1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -15.632 2.258 1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -16.679 1.873 0.044 1.00 0.00 H new ATOM 980 N LYS A 243 -9.266 -0.737 0.529 1.00 0.00 N ATOM 981 CA LYS A 243 -8.036 -1.593 0.455 1.00 0.00 C ATOM 982 C LYS A 243 -8.200 -2.803 -0.478 1.00 0.00 C ATOM 983 O LYS A 243 -7.283 -3.160 -1.190 1.00 0.00 O ATOM 984 CB LYS A 243 -7.810 -2.068 1.891 1.00 0.00 C ATOM 985 CG LYS A 243 -6.343 -1.866 2.273 1.00 0.00 C ATOM 986 CD LYS A 243 -6.095 -0.390 2.587 1.00 0.00 C ATOM 987 CE LYS A 243 -6.213 -0.161 4.095 1.00 0.00 C ATOM 988 NZ LYS A 243 -4.839 -0.385 4.625 1.00 0.00 N ATOM 0 H LYS A 243 -9.351 -0.202 1.393 1.00 0.00 H new ATOM 0 HA LYS A 243 -7.200 -1.026 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -8.454 -1.513 2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -8.079 -3.120 1.983 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -6.094 -2.480 3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -5.696 -2.189 1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -5.105 -0.095 2.240 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -6.816 0.232 2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -6.562 0.848 4.315 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -6.927 -0.851 4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -4.838 -0.246 5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -4.536 -1.356 4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -4.182 0.290 4.184 1.00 0.00 H new ATOM 1002 N TYR A 244 -9.332 -3.452 -0.482 1.00 0.00 N ATOM 1003 CA TYR A 244 -9.479 -4.639 -1.379 1.00 0.00 C ATOM 1004 C TYR A 244 -10.535 -4.342 -2.450 1.00 0.00 C ATOM 1005 O TYR A 244 -11.717 -4.519 -2.235 1.00 0.00 O ATOM 1006 CB TYR A 244 -9.939 -5.768 -0.455 1.00 0.00 C ATOM 1007 CG TYR A 244 -9.313 -7.075 -0.888 1.00 0.00 C ATOM 1008 CD1 TYR A 244 -7.922 -7.216 -0.827 1.00 0.00 C ATOM 1009 CD2 TYR A 244 -10.104 -8.154 -1.308 1.00 0.00 C ATOM 1010 CE1 TYR A 244 -7.319 -8.422 -1.193 1.00 0.00 C ATOM 1011 CE2 TYR A 244 -9.501 -9.364 -1.664 1.00 0.00 C ATOM 1012 CZ TYR A 244 -8.109 -9.498 -1.609 1.00 0.00 C ATOM 1013 OH TYR A 244 -7.518 -10.694 -1.961 1.00 0.00 O ATOM 0 H TYR A 244 -10.148 -3.220 0.084 1.00 0.00 H new ATOM 0 HA TYR A 244 -8.558 -4.897 -1.901 1.00 0.00 H new ATOM 0 HB2 TYR A 244 -9.659 -5.544 0.574 1.00 0.00 H new ATOM 0 HB3 TYR A 244 -11.026 -5.850 -0.479 1.00 0.00 H new ATOM 0 HD1 TYR A 244 -7.312 -6.389 -0.495 1.00 0.00 H new ATOM 0 HD2 TYR A 244 -11.178 -8.050 -1.356 1.00 0.00 H new ATOM 0 HE1 TYR A 244 -6.244 -8.523 -1.155 1.00 0.00 H new ATOM 0 HE2 TYR A 244 -10.111 -10.197 -1.982 1.00 0.00 H new ATOM 0 HH TYR A 244 -7.962 -11.430 -1.490 1.00 0.00 H new ATOM 1023 N HIS A 245 -10.119 -3.870 -3.597 1.00 0.00 N ATOM 1024 CA HIS A 245 -11.103 -3.540 -4.671 1.00 0.00 C ATOM 1025 C HIS A 245 -11.339 -4.737 -5.596 1.00 0.00 C ATOM 1026 O HIS A 245 -11.104 -5.873 -5.240 1.00 0.00 O ATOM 1027 CB HIS A 245 -10.466 -2.401 -5.468 1.00 0.00 C ATOM 1028 CG HIS A 245 -9.920 -1.357 -4.540 1.00 0.00 C ATOM 1029 ND1 HIS A 245 -8.827 -1.345 -3.712 1.00 0.00 N flip ATOM 1030 CD2 HIS A 245 -10.505 -0.111 -4.411 1.00 0.00 C flip ATOM 1031 CE1 HIS A 245 -8.730 -0.110 -3.081 1.00 0.00 C flip ATOM 1032 NE2 HIS A 245 -9.765 0.594 -3.538 1.00 0.00 N flip ATOM 0 H HIS A 245 -9.142 -3.699 -3.836 1.00 0.00 H new ATOM 0 HA HIS A 245 -12.069 -3.270 -4.245 1.00 0.00 H new ATOM 0 HB2 HIS A 245 -9.666 -2.792 -6.097 1.00 0.00 H new ATOM 0 HB3 HIS A 245 -11.206 -1.955 -6.133 1.00 0.00 H new ATOM 0 HD2 HIS A 245 -11.394 0.233 -4.919 1.00 0.00 H new ATOM 0 HE1 HIS A 245 -7.979 0.209 -2.374 1.00 0.00 H new ATOM 0 HE2 HIS A 245 -9.971 1.553 -3.259 1.00 0.00 H new ATOM 1040 N ASN A 246 -11.803 -4.471 -6.789 1.00 0.00 N ATOM 1041 CA ASN A 246 -12.064 -5.564 -7.769 1.00 0.00 C ATOM 1042 C ASN A 246 -11.653 -5.106 -9.172 1.00 0.00 C ATOM 1043 O ASN A 246 -11.877 -3.974 -9.553 1.00 0.00 O ATOM 1044 CB ASN A 246 -13.572 -5.804 -7.703 1.00 0.00 C ATOM 1045 CG ASN A 246 -13.982 -6.790 -8.799 1.00 0.00 C ATOM 1046 OD1 ASN A 246 -13.684 -6.585 -9.958 1.00 0.00 O ATOM 1047 ND2 ASN A 246 -14.658 -7.859 -8.479 1.00 0.00 N ATOM 0 H ASN A 246 -12.014 -3.533 -7.129 1.00 0.00 H new ATOM 0 HA ASN A 246 -11.501 -6.470 -7.546 1.00 0.00 H new ATOM 0 HB2 ASN A 246 -13.845 -6.198 -6.724 1.00 0.00 H new ATOM 0 HB3 ASN A 246 -14.106 -4.862 -7.828 1.00 0.00 H new ATOM 0 HD21 ASN A 246 -14.936 -8.522 -9.202 1.00 0.00 H new ATOM 0 HD22 ASN A 246 -14.909 -8.032 -7.505 1.00 0.00 H new ATOM 1054 N VAL A 247 -11.051 -5.969 -9.945 1.00 0.00 N ATOM 1055 CA VAL A 247 -10.630 -5.567 -11.319 1.00 0.00 C ATOM 1056 C VAL A 247 -11.017 -6.649 -12.329 1.00 0.00 C ATOM 1057 O VAL A 247 -10.495 -7.746 -12.309 1.00 0.00 O ATOM 1058 CB VAL A 247 -9.109 -5.424 -11.241 1.00 0.00 C ATOM 1059 CG1 VAL A 247 -8.531 -5.354 -12.656 1.00 0.00 C ATOM 1060 CG2 VAL A 247 -8.753 -4.143 -10.480 1.00 0.00 C ATOM 0 H VAL A 247 -10.833 -6.931 -9.687 1.00 0.00 H new ATOM 0 HA VAL A 247 -11.110 -4.644 -11.645 1.00 0.00 H new ATOM 0 HB VAL A 247 -8.690 -6.284 -10.719 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -7.447 -5.252 -12.602 1.00 0.00 H new ATOM 0 HG12 VAL A 247 -8.783 -6.266 -13.197 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -8.951 -4.494 -13.178 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -7.669 -4.042 -10.425 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -9.172 -3.282 -11.001 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -9.165 -4.192 -9.472 1.00 0.00 H new ATOM 1070 N GLY A 248 -11.928 -6.350 -13.214 1.00 0.00 N ATOM 1071 CA GLY A 248 -12.347 -7.362 -14.223 1.00 0.00 C ATOM 1072 C GLY A 248 -12.976 -8.562 -13.513 1.00 0.00 C ATOM 1073 O GLY A 248 -14.176 -8.629 -13.332 1.00 0.00 O ATOM 0 H GLY A 248 -12.400 -5.448 -13.282 1.00 0.00 H new ATOM 0 HA2 GLY A 248 -13.061 -6.923 -14.919 1.00 0.00 H new ATOM 0 HA3 GLY A 248 -11.487 -7.683 -14.810 1.00 0.00 H new ATOM 1077 N LEU A 249 -12.176 -9.509 -13.110 1.00 0.00 N ATOM 1078 CA LEU A 249 -12.730 -10.704 -12.410 1.00 0.00 C ATOM 1079 C LEU A 249 -11.844 -11.076 -11.218 1.00 0.00 C ATOM 1080 O LEU A 249 -11.788 -12.217 -10.804 1.00 0.00 O ATOM 1081 CB LEU A 249 -12.722 -11.816 -13.460 1.00 0.00 C ATOM 1082 CG LEU A 249 -14.131 -11.990 -14.031 1.00 0.00 C ATOM 1083 CD1 LEU A 249 -14.050 -12.676 -15.396 1.00 0.00 C ATOM 1084 CD2 LEU A 249 -14.964 -12.850 -13.078 1.00 0.00 C ATOM 0 H LEU A 249 -11.164 -9.509 -13.234 1.00 0.00 H new ATOM 0 HA LEU A 249 -13.730 -10.527 -12.015 1.00 0.00 H new ATOM 0 HB2 LEU A 249 -12.022 -11.571 -14.259 1.00 0.00 H new ATOM 0 HB3 LEU A 249 -12.381 -12.750 -13.013 1.00 0.00 H new ATOM 0 HG LEU A 249 -14.599 -11.012 -14.144 1.00 0.00 H new ATOM 0 HD11 LEU A 249 -15.054 -12.799 -15.801 1.00 0.00 H new ATOM 0 HD12 LEU A 249 -13.457 -12.065 -16.076 1.00 0.00 H new ATOM 0 HD13 LEU A 249 -13.581 -13.654 -15.285 1.00 0.00 H new ATOM 0 HD21 LEU A 249 -15.968 -12.975 -13.484 1.00 0.00 H new ATOM 0 HD22 LEU A 249 -14.494 -13.827 -12.965 1.00 0.00 H new ATOM 0 HD23 LEU A 249 -15.024 -12.362 -12.105 1.00 0.00 H new ATOM 1096 N SER A 250 -11.157 -10.116 -10.662 1.00 0.00 N ATOM 1097 CA SER A 250 -10.276 -10.401 -9.492 1.00 0.00 C ATOM 1098 C SER A 250 -10.245 -9.183 -8.571 1.00 0.00 C ATOM 1099 O SER A 250 -10.727 -8.126 -8.920 1.00 0.00 O ATOM 1100 CB SER A 250 -8.894 -10.657 -10.088 1.00 0.00 C ATOM 1101 OG SER A 250 -8.305 -11.779 -9.445 1.00 0.00 O ATOM 0 H SER A 250 -11.167 -9.143 -10.968 1.00 0.00 H new ATOM 0 HA SER A 250 -10.622 -11.249 -8.901 1.00 0.00 H new ATOM 0 HB2 SER A 250 -8.976 -10.839 -11.160 1.00 0.00 H new ATOM 0 HB3 SER A 250 -8.262 -9.778 -9.961 1.00 0.00 H new ATOM 0 HG SER A 250 -7.418 -11.947 -9.827 1.00 0.00 H new ATOM 1107 N LYS A 251 -9.685 -9.307 -7.400 1.00 0.00 N ATOM 1108 CA LYS A 251 -9.646 -8.126 -6.492 1.00 0.00 C ATOM 1109 C LYS A 251 -8.251 -7.932 -5.892 1.00 0.00 C ATOM 1110 O LYS A 251 -8.068 -8.008 -4.695 1.00 0.00 O ATOM 1111 CB LYS A 251 -10.680 -8.399 -5.392 1.00 0.00 C ATOM 1112 CG LYS A 251 -10.674 -9.879 -5.004 1.00 0.00 C ATOM 1113 CD LYS A 251 -9.272 -10.287 -4.560 1.00 0.00 C ATOM 1114 CE LYS A 251 -9.301 -11.720 -4.022 1.00 0.00 C ATOM 1115 NZ LYS A 251 -7.930 -12.251 -4.261 1.00 0.00 N ATOM 0 H LYS A 251 -9.259 -10.160 -7.036 1.00 0.00 H new ATOM 0 HA LYS A 251 -9.875 -7.209 -7.035 1.00 0.00 H new ATOM 0 HB2 LYS A 251 -10.459 -7.787 -4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 251 -11.673 -8.112 -5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 251 -11.387 -10.057 -4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 251 -10.990 -10.488 -5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 251 -8.579 -10.216 -5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 251 -8.911 -9.606 -3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 251 -9.552 -11.738 -2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 251 -10.052 -12.320 -4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 -7.939 -13.287 -4.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 -7.616 -11.985 -5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 -7.276 -11.852 -3.558 1.00 0.00 H new ATOM 1129 N CYS A 252 -7.274 -7.647 -6.718 1.00 0.00 N ATOM 1130 CA CYS A 252 -5.892 -7.401 -6.198 1.00 0.00 C ATOM 1131 C CYS A 252 -5.985 -6.602 -4.896 1.00 0.00 C ATOM 1132 O CYS A 252 -6.984 -5.963 -4.633 1.00 0.00 O ATOM 1133 CB CYS A 252 -5.225 -6.559 -7.285 1.00 0.00 C ATOM 1134 SG CYS A 252 -5.259 -7.457 -8.857 1.00 0.00 S ATOM 0 H CYS A 252 -7.374 -7.574 -7.730 1.00 0.00 H new ATOM 0 HA CYS A 252 -5.340 -8.317 -5.988 1.00 0.00 H new ATOM 0 HB2 CYS A 252 -5.742 -5.605 -7.389 1.00 0.00 H new ATOM 0 HB3 CYS A 252 -4.196 -6.335 -7.005 1.00 0.00 H new ATOM 0 HG CYS A 252 -4.693 -6.738 -9.780 1.00 0.00 H new ATOM 1140 N GLU A 253 -4.963 -6.593 -4.088 1.00 0.00 N ATOM 1141 CA GLU A 253 -5.062 -5.781 -2.839 1.00 0.00 C ATOM 1142 C GLU A 253 -4.635 -4.368 -3.164 1.00 0.00 C ATOM 1143 O GLU A 253 -4.186 -4.091 -4.255 1.00 0.00 O ATOM 1144 CB GLU A 253 -4.142 -6.392 -1.775 1.00 0.00 C ATOM 1145 CG GLU A 253 -2.962 -7.118 -2.418 1.00 0.00 C ATOM 1146 CD GLU A 253 -1.816 -7.226 -1.410 1.00 0.00 C ATOM 1147 OE1 GLU A 253 -1.871 -6.535 -0.405 1.00 0.00 O ATOM 1148 OE2 GLU A 253 -0.905 -7.998 -1.659 1.00 0.00 O ATOM 0 H GLU A 253 -4.087 -7.096 -4.229 1.00 0.00 H new ATOM 0 HA GLU A 253 -6.082 -5.773 -2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -3.774 -5.607 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -4.708 -7.089 -1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -3.268 -8.112 -2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -2.630 -6.579 -3.305 1.00 0.00 H new ATOM 1155 N ILE A 254 -4.808 -3.458 -2.262 1.00 0.00 N ATOM 1156 CA ILE A 254 -4.441 -2.057 -2.601 1.00 0.00 C ATOM 1157 C ILE A 254 -3.999 -1.244 -1.381 1.00 0.00 C ATOM 1158 O ILE A 254 -4.804 -0.675 -0.669 1.00 0.00 O ATOM 1159 CB ILE A 254 -5.722 -1.477 -3.217 1.00 0.00 C ATOM 1160 CG1 ILE A 254 -5.807 -1.890 -4.692 1.00 0.00 C ATOM 1161 CG2 ILE A 254 -5.715 0.052 -3.125 1.00 0.00 C ATOM 1162 CD1 ILE A 254 -6.549 -3.224 -4.820 1.00 0.00 C ATOM 0 H ILE A 254 -5.178 -3.611 -1.324 1.00 0.00 H new ATOM 0 HA ILE A 254 -3.585 -2.021 -3.275 1.00 0.00 H new ATOM 0 HB ILE A 254 -6.581 -1.862 -2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 254 -6.324 -1.120 -5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 254 -4.805 -1.980 -5.111 1.00 0.00 H new ATOM 0 HG21 ILE A 254 -6.630 0.447 -3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 254 -5.657 0.353 -2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 254 -4.853 0.445 -3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 254 -6.605 -3.510 -5.870 1.00 0.00 H new ATOM 0 HD12 ILE A 254 -6.014 -3.993 -4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 254 -7.557 -3.120 -4.418 1.00 0.00 H new ATOM 1174 N LYS A 255 -2.715 -1.131 -1.182 1.00 0.00 N ATOM 1175 CA LYS A 255 -2.194 -0.295 -0.069 1.00 0.00 C ATOM 1176 C LYS A 255 -1.678 0.995 -0.705 1.00 0.00 C ATOM 1177 O LYS A 255 -0.787 0.963 -1.524 1.00 0.00 O ATOM 1178 CB LYS A 255 -1.057 -1.105 0.560 1.00 0.00 C ATOM 1179 CG LYS A 255 -0.083 -0.165 1.277 1.00 0.00 C ATOM 1180 CD LYS A 255 0.803 -0.975 2.226 1.00 0.00 C ATOM 1181 CE LYS A 255 1.457 -0.040 3.245 1.00 0.00 C ATOM 1182 NZ LYS A 255 1.773 -0.907 4.413 1.00 0.00 N ATOM 0 H LYS A 255 -2.000 -1.587 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 255 -2.932 -0.045 0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -1.462 -1.830 1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -0.531 -1.669 -0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 255 0.533 0.362 0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -0.635 0.592 1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 255 0.207 -1.729 2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 255 1.569 -1.505 1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 255 2.358 0.419 2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 255 0.785 0.771 3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 2.225 -0.337 5.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 0.895 -1.325 4.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 2.420 -1.666 4.117 1.00 0.00 H new ATOM 1196 N VAL A 256 -2.267 2.113 -0.389 1.00 0.00 N ATOM 1197 CA VAL A 256 -1.842 3.392 -1.036 1.00 0.00 C ATOM 1198 C VAL A 256 -0.324 3.473 -1.239 1.00 0.00 C ATOM 1199 O VAL A 256 0.442 2.693 -0.709 1.00 0.00 O ATOM 1200 CB VAL A 256 -2.312 4.501 -0.109 1.00 0.00 C ATOM 1201 CG1 VAL A 256 -1.933 4.169 1.334 1.00 0.00 C ATOM 1202 CG2 VAL A 256 -1.649 5.812 -0.531 1.00 0.00 C ATOM 0 H VAL A 256 -3.024 2.200 0.289 1.00 0.00 H new ATOM 0 HA VAL A 256 -2.276 3.472 -2.033 1.00 0.00 H new ATOM 0 HB VAL A 256 -3.396 4.599 -0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 256 -2.273 4.968 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 256 -2.405 3.231 1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 256 -0.850 4.070 1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 256 -1.979 6.615 0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 256 -0.566 5.710 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 256 -1.928 6.047 -1.558 1.00 0.00 H new ATOM 1212 N ALA A 257 0.104 4.432 -2.019 1.00 0.00 N ATOM 1213 CA ALA A 257 1.552 4.600 -2.295 1.00 0.00 C ATOM 1214 C ALA A 257 1.904 6.089 -2.388 1.00 0.00 C ATOM 1215 O ALA A 257 1.057 6.924 -2.649 1.00 0.00 O ATOM 1216 CB ALA A 257 1.760 3.926 -3.650 1.00 0.00 C ATOM 0 H ALA A 257 -0.501 5.112 -2.480 1.00 0.00 H new ATOM 0 HA ALA A 257 2.179 4.172 -1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 257 2.809 4.002 -3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 257 1.477 2.876 -3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 257 1.142 4.419 -4.400 1.00 0.00 H new