USER MOD reduce.3.24.130724 H: found=0, std=0, add=354, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 353 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 159 HIS : no HD1:sc= -2.37 X(o=-2.8,f=-2.5) USER MOD Set 1.2: A 164 ASN : amide:sc= -0.436 K(o=-2.8,f=-3.7) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.34) USER MOD Single : A 160 LYS NZ :NH3+ -173:sc= -0.189 (180deg=-0.275) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 THR OG1 : rot 180:sc=0.000549 USER MOD Single : A 179 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 182 LYS NZ :NH3+ 159:sc= 1.27 (180deg=1.19) USER MOD Single : A 183 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 184 HIS : no HD1:sc= -0.484 X(o=-0.48,f=-0.23) USER MOD Single : A 186 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 187 SER OG : rot -27:sc= 0.151 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl -165:sc= -0.0283 (180deg=-0.248) USER MOD ----------------------------------------------------------------- ATOM 120 N TRP A 147 13.032 -9.187 -12.609 1.00 0.00 N ATOM 121 CA TRP A 147 14.244 -9.124 -13.409 1.00 0.00 C ATOM 122 C TRP A 147 13.885 -9.288 -14.883 1.00 0.00 C ATOM 123 O TRP A 147 13.254 -10.273 -15.262 1.00 0.00 O ATOM 124 CB TRP A 147 15.208 -10.221 -12.955 1.00 0.00 C ATOM 125 CG TRP A 147 15.899 -9.933 -11.658 1.00 0.00 C ATOM 126 CD1 TRP A 147 15.385 -10.136 -10.433 1.00 0.00 C ATOM 127 CD2 TRP A 147 17.231 -9.382 -11.432 1.00 0.00 C ATOM 128 NE1 TRP A 147 16.274 -9.756 -9.457 1.00 0.00 N ATOM 129 CE2 TRP A 147 17.443 -9.276 -10.020 1.00 0.00 C ATOM 130 CE3 TRP A 147 18.286 -8.957 -12.270 1.00 0.00 C ATOM 131 CZ2 TRP A 147 18.629 -8.777 -9.477 1.00 0.00 C ATOM 132 CZ3 TRP A 147 19.486 -8.451 -11.723 1.00 0.00 C ATOM 133 CH2 TRP A 147 19.654 -8.362 -10.332 1.00 0.00 C ATOM 0 HA TRP A 147 14.732 -8.158 -13.277 1.00 0.00 H new ATOM 0 HB2 TRP A 147 14.657 -11.157 -12.860 1.00 0.00 H new ATOM 0 HB3 TRP A 147 15.960 -10.371 -13.729 1.00 0.00 H new ATOM 0 HD1 TRP A 147 14.403 -10.544 -10.241 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.096 -9.819 -8.455 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.174 -9.020 -13.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.753 -8.712 -8.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.281 -8.130 -12.380 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.575 -7.973 -9.923 1.00 0.00 H new ATOM 144 N THR A 148 14.286 -8.317 -15.711 1.00 0.00 N ATOM 145 CA THR A 148 14.009 -8.351 -17.136 1.00 0.00 C ATOM 146 C THR A 148 15.048 -9.217 -17.844 1.00 0.00 C ATOM 147 O THR A 148 16.120 -9.473 -17.299 1.00 0.00 O ATOM 148 CB THR A 148 14.036 -6.922 -17.692 1.00 0.00 C ATOM 149 OG1 THR A 148 15.288 -6.330 -17.416 1.00 0.00 O ATOM 150 CG2 THR A 148 12.925 -6.091 -17.047 1.00 0.00 C ATOM 0 H THR A 148 14.807 -7.495 -15.407 1.00 0.00 H new ATOM 0 HA THR A 148 13.023 -8.782 -17.308 1.00 0.00 H new ATOM 0 HB THR A 148 13.879 -6.956 -18.770 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.304 -5.418 -17.773 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.950 -5.077 -17.447 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.958 -6.544 -17.266 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.074 -6.059 -15.968 1.00 0.00 H new ATOM 158 N GLU A 149 14.727 -9.658 -19.067 1.00 0.00 N ATOM 159 CA GLU A 149 15.641 -10.462 -19.866 1.00 0.00 C ATOM 160 C GLU A 149 16.947 -9.696 -20.078 1.00 0.00 C ATOM 161 O GLU A 149 18.028 -10.282 -20.050 1.00 0.00 O ATOM 162 CB GLU A 149 14.985 -10.775 -21.214 1.00 0.00 C ATOM 163 CG GLU A 149 13.980 -11.922 -21.059 1.00 0.00 C ATOM 164 CD GLU A 149 14.685 -13.272 -21.089 1.00 0.00 C ATOM 165 OE1 GLU A 149 15.035 -13.705 -22.212 1.00 0.00 O ATOM 166 OE2 GLU A 149 14.867 -13.844 -19.997 1.00 0.00 O ATOM 0 H GLU A 149 13.834 -9.466 -19.521 1.00 0.00 H new ATOM 0 HA GLU A 149 15.863 -11.396 -19.349 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.480 -9.888 -21.596 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.748 -11.046 -21.944 1.00 0.00 H new ATOM 0 HG2 GLU A 149 13.438 -11.811 -20.120 1.00 0.00 H new ATOM 0 HG3 GLU A 149 13.242 -11.875 -21.860 1.00 0.00 H new ATOM 173 N GLU A 150 16.835 -8.381 -20.292 1.00 0.00 N ATOM 174 CA GLU A 150 17.990 -7.529 -20.498 1.00 0.00 C ATOM 175 C GLU A 150 18.871 -7.554 -19.254 1.00 0.00 C ATOM 176 O GLU A 150 20.043 -7.907 -19.333 1.00 0.00 O ATOM 177 CB GLU A 150 17.522 -6.102 -20.798 1.00 0.00 C ATOM 178 CG GLU A 150 16.736 -6.074 -22.114 1.00 0.00 C ATOM 179 CD GLU A 150 16.149 -4.690 -22.360 1.00 0.00 C ATOM 180 OE1 GLU A 150 15.209 -4.334 -21.618 1.00 0.00 O ATOM 181 OE2 GLU A 150 16.652 -4.016 -23.284 1.00 0.00 O ATOM 0 H GLU A 150 15.943 -7.888 -20.326 1.00 0.00 H new ATOM 0 HA GLU A 150 18.572 -7.893 -21.344 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.897 -5.737 -19.983 1.00 0.00 H new ATOM 0 HB3 GLU A 150 18.381 -5.435 -20.864 1.00 0.00 H new ATOM 0 HG2 GLU A 150 17.391 -6.349 -22.941 1.00 0.00 H new ATOM 0 HG3 GLU A 150 15.936 -6.814 -22.082 1.00 0.00 H new ATOM 188 N GLU A 151 18.296 -7.178 -18.102 1.00 0.00 N ATOM 189 CA GLU A 151 19.023 -7.140 -16.841 1.00 0.00 C ATOM 190 C GLU A 151 19.666 -8.505 -16.561 1.00 0.00 C ATOM 191 O GLU A 151 20.823 -8.572 -16.153 1.00 0.00 O ATOM 192 CB GLU A 151 18.049 -6.752 -15.718 1.00 0.00 C ATOM 193 CG GLU A 151 18.821 -6.360 -14.452 1.00 0.00 C ATOM 194 CD GLU A 151 19.153 -4.871 -14.444 1.00 0.00 C ATOM 195 OE1 GLU A 151 20.118 -4.499 -15.143 1.00 0.00 O ATOM 196 OE2 GLU A 151 18.431 -4.135 -13.735 1.00 0.00 O ATOM 0 H GLU A 151 17.319 -6.895 -18.026 1.00 0.00 H new ATOM 0 HA GLU A 151 19.821 -6.399 -16.894 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.423 -5.920 -16.042 1.00 0.00 H new ATOM 0 HB3 GLU A 151 17.383 -7.587 -15.501 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.229 -6.607 -13.571 1.00 0.00 H new ATOM 0 HG3 GLU A 151 19.742 -6.940 -14.390 1.00 0.00 H new ATOM 203 N ASP A 152 18.908 -9.586 -16.783 1.00 0.00 N ATOM 204 CA ASP A 152 19.388 -10.941 -16.549 1.00 0.00 C ATOM 205 C ASP A 152 20.676 -11.200 -17.335 1.00 0.00 C ATOM 206 O ASP A 152 21.714 -11.487 -16.744 1.00 0.00 O ATOM 207 CB ASP A 152 18.296 -11.938 -16.954 1.00 0.00 C ATOM 208 CG ASP A 152 18.806 -13.373 -16.880 1.00 0.00 C ATOM 209 OD1 ASP A 152 19.392 -13.823 -17.892 1.00 0.00 O ATOM 210 OD2 ASP A 152 18.602 -13.995 -15.817 1.00 0.00 O ATOM 0 H ASP A 152 17.949 -9.540 -17.128 1.00 0.00 H new ATOM 0 HA ASP A 152 19.614 -11.066 -15.490 1.00 0.00 H new ATOM 0 HB2 ASP A 152 17.432 -11.822 -16.299 1.00 0.00 H new ATOM 0 HB3 ASP A 152 17.959 -11.721 -17.968 1.00 0.00 H new ATOM 215 N ARG A 153 20.611 -11.106 -18.667 1.00 0.00 N ATOM 216 CA ARG A 153 21.769 -11.372 -19.510 1.00 0.00 C ATOM 217 C ARG A 153 22.907 -10.400 -19.186 1.00 0.00 C ATOM 218 O ARG A 153 24.071 -10.800 -19.164 1.00 0.00 O ATOM 219 CB ARG A 153 21.367 -11.291 -20.983 1.00 0.00 C ATOM 220 CG ARG A 153 20.427 -12.460 -21.307 1.00 0.00 C ATOM 221 CD ARG A 153 20.323 -12.660 -22.827 1.00 0.00 C ATOM 222 NE ARG A 153 19.046 -12.160 -23.355 1.00 0.00 N ATOM 223 CZ ARG A 153 17.863 -12.757 -23.116 1.00 0.00 C ATOM 224 NH1 ARG A 153 17.765 -13.733 -22.205 1.00 0.00 N ATOM 225 NH2 ARG A 153 16.776 -12.376 -23.791 1.00 0.00 N ATOM 0 H ARG A 153 19.768 -10.848 -19.179 1.00 0.00 H new ATOM 0 HA ARG A 153 22.133 -12.380 -19.310 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.872 -10.342 -21.187 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.252 -11.332 -21.618 1.00 0.00 H new ATOM 0 HG2 ARG A 153 20.796 -13.372 -20.838 1.00 0.00 H new ATOM 0 HG3 ARG A 153 19.438 -12.266 -20.891 1.00 0.00 H new ATOM 0 HD2 ARG A 153 21.147 -12.144 -23.319 1.00 0.00 H new ATOM 0 HD3 ARG A 153 20.424 -13.719 -23.062 1.00 0.00 H new ATOM 0 HE ARG A 153 19.056 -11.319 -23.931 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.591 -14.030 -21.685 1.00 0.00 H new ATOM 0 HH12 ARG A 153 16.865 -14.179 -22.031 1.00 0.00 H new ATOM 0 HH21 ARG A 153 16.842 -11.633 -24.487 1.00 0.00 H new ATOM 0 HH22 ARG A 153 15.879 -12.828 -23.611 1.00 0.00 H new ATOM 239 N ILE A 154 22.576 -9.129 -18.926 1.00 0.00 N ATOM 240 CA ILE A 154 23.580 -8.133 -18.576 1.00 0.00 C ATOM 241 C ILE A 154 24.303 -8.566 -17.298 1.00 0.00 C ATOM 242 O ILE A 154 25.498 -8.321 -17.155 1.00 0.00 O ATOM 243 CB ILE A 154 22.909 -6.756 -18.405 1.00 0.00 C ATOM 244 CG1 ILE A 154 22.563 -6.189 -19.792 1.00 0.00 C ATOM 245 CG2 ILE A 154 23.861 -5.793 -17.680 1.00 0.00 C ATOM 246 CD1 ILE A 154 21.579 -5.022 -19.658 1.00 0.00 C ATOM 0 H ILE A 154 21.621 -8.773 -18.953 1.00 0.00 H new ATOM 0 HA ILE A 154 24.318 -8.050 -19.374 1.00 0.00 H new ATOM 0 HB ILE A 154 22.001 -6.868 -17.813 1.00 0.00 H new ATOM 0 HG12 ILE A 154 23.471 -5.852 -20.292 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.128 -6.971 -20.414 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.378 -4.823 -17.564 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.107 -6.196 -16.698 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.774 -5.676 -18.263 1.00 0.00 H new ATOM 0 HD11 ILE A 154 21.343 -4.630 -20.647 1.00 0.00 H new ATOM 0 HD12 ILE A 154 20.665 -5.370 -19.178 1.00 0.00 H new ATOM 0 HD13 ILE A 154 22.029 -4.234 -19.054 1.00 0.00 H new ATOM 258 N LEU A 155 23.580 -9.214 -16.375 1.00 0.00 N ATOM 259 CA LEU A 155 24.160 -9.684 -15.124 1.00 0.00 C ATOM 260 C LEU A 155 25.316 -10.640 -15.417 1.00 0.00 C ATOM 261 O LEU A 155 26.382 -10.516 -14.825 1.00 0.00 O ATOM 262 CB LEU A 155 23.068 -10.379 -14.289 1.00 0.00 C ATOM 263 CG LEU A 155 23.445 -10.425 -12.797 1.00 0.00 C ATOM 264 CD1 LEU A 155 23.713 -9.006 -12.280 1.00 0.00 C ATOM 265 CD2 LEU A 155 22.280 -11.031 -12.013 1.00 0.00 C ATOM 0 H LEU A 155 22.587 -9.422 -16.479 1.00 0.00 H new ATOM 0 HA LEU A 155 24.552 -8.841 -14.556 1.00 0.00 H new ATOM 0 HB2 LEU A 155 22.123 -9.850 -14.411 1.00 0.00 H new ATOM 0 HB3 LEU A 155 22.915 -11.393 -14.659 1.00 0.00 H new ATOM 0 HG LEU A 155 24.343 -11.029 -12.668 1.00 0.00 H new ATOM 0 HD11 LEU A 155 23.979 -9.048 -11.224 1.00 0.00 H new ATOM 0 HD12 LEU A 155 24.534 -8.562 -12.844 1.00 0.00 H new ATOM 0 HD13 LEU A 155 22.817 -8.398 -12.405 1.00 0.00 H new ATOM 0 HD21 LEU A 155 22.535 -11.069 -10.954 1.00 0.00 H new ATOM 0 HD22 LEU A 155 21.390 -10.416 -12.150 1.00 0.00 H new ATOM 0 HD23 LEU A 155 22.083 -12.040 -12.375 1.00 0.00 H new ATOM 277 N TYR A 156 25.099 -11.589 -16.337 1.00 0.00 N ATOM 278 CA TYR A 156 26.119 -12.565 -16.697 1.00 0.00 C ATOM 279 C TYR A 156 27.268 -11.884 -17.436 1.00 0.00 C ATOM 280 O TYR A 156 28.433 -12.134 -17.128 1.00 0.00 O ATOM 281 CB TYR A 156 25.481 -13.665 -17.557 1.00 0.00 C ATOM 282 CG TYR A 156 26.447 -14.750 -17.994 1.00 0.00 C ATOM 283 CD1 TYR A 156 27.314 -14.531 -19.081 1.00 0.00 C ATOM 284 CD2 TYR A 156 26.469 -15.988 -17.322 1.00 0.00 C ATOM 285 CE1 TYR A 156 28.202 -15.540 -19.491 1.00 0.00 C ATOM 286 CE2 TYR A 156 27.357 -16.996 -17.732 1.00 0.00 C ATOM 287 CZ TYR A 156 28.224 -16.774 -18.815 1.00 0.00 C ATOM 288 OH TYR A 156 29.083 -17.755 -19.212 1.00 0.00 O ATOM 0 H TYR A 156 24.220 -11.696 -16.844 1.00 0.00 H new ATOM 0 HA TYR A 156 26.530 -13.017 -15.794 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.667 -14.123 -16.996 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.040 -13.208 -18.443 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.297 -13.585 -19.601 1.00 0.00 H new ATOM 0 HD2 TYR A 156 25.802 -16.162 -16.490 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.867 -15.369 -20.324 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.373 -17.943 -17.214 1.00 0.00 H new ATOM 0 HH TYR A 156 28.970 -18.541 -18.638 1.00 0.00 H new ATOM 298 N GLN A 157 26.945 -11.025 -18.410 1.00 0.00 N ATOM 299 CA GLN A 157 27.963 -10.322 -19.179 1.00 0.00 C ATOM 300 C GLN A 157 28.857 -9.513 -18.242 1.00 0.00 C ATOM 301 O GLN A 157 30.073 -9.497 -18.406 1.00 0.00 O ATOM 302 CB GLN A 157 27.289 -9.411 -20.212 1.00 0.00 C ATOM 303 CG GLN A 157 26.633 -10.257 -21.311 1.00 0.00 C ATOM 304 CD GLN A 157 27.684 -10.964 -22.164 1.00 0.00 C ATOM 305 OE1 GLN A 157 27.954 -12.147 -21.971 1.00 0.00 O ATOM 306 NE2 GLN A 157 28.280 -10.235 -23.107 1.00 0.00 N ATOM 0 H GLN A 157 25.986 -10.804 -18.680 1.00 0.00 H new ATOM 0 HA GLN A 157 28.586 -11.045 -19.706 1.00 0.00 H new ATOM 0 HB2 GLN A 157 26.539 -8.788 -19.725 1.00 0.00 H new ATOM 0 HB3 GLN A 157 28.026 -8.738 -20.651 1.00 0.00 H new ATOM 0 HG2 GLN A 157 25.971 -10.995 -20.859 1.00 0.00 H new ATOM 0 HG3 GLN A 157 26.015 -9.620 -21.944 1.00 0.00 H new ATOM 0 HE21 GLN A 157 28.024 -9.256 -23.232 1.00 0.00 H new ATOM 0 HE22 GLN A 157 28.992 -10.657 -23.704 1.00 0.00 H new ATOM 315 N ALA A 158 28.255 -8.849 -17.254 1.00 0.00 N ATOM 316 CA ALA A 158 29.001 -8.062 -16.288 1.00 0.00 C ATOM 317 C ALA A 158 29.830 -8.982 -15.399 1.00 0.00 C ATOM 318 O ALA A 158 31.010 -8.728 -15.168 1.00 0.00 O ATOM 319 CB ALA A 158 28.025 -7.252 -15.438 1.00 0.00 C ATOM 0 H ALA A 158 27.246 -8.845 -17.107 1.00 0.00 H new ATOM 0 HA ALA A 158 29.674 -7.383 -16.812 1.00 0.00 H new ATOM 0 HB1 ALA A 158 28.581 -6.659 -14.711 1.00 0.00 H new ATOM 0 HB2 ALA A 158 27.447 -6.589 -16.081 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.350 -7.929 -14.914 1.00 0.00 H new ATOM 325 N HIS A 159 29.196 -10.046 -14.897 1.00 0.00 N ATOM 326 CA HIS A 159 29.836 -10.983 -13.992 1.00 0.00 C ATOM 327 C HIS A 159 31.108 -11.570 -14.599 1.00 0.00 C ATOM 328 O HIS A 159 32.121 -11.664 -13.922 1.00 0.00 O ATOM 329 CB HIS A 159 28.854 -12.099 -13.641 1.00 0.00 C ATOM 330 CG HIS A 159 29.374 -12.973 -12.537 1.00 0.00 C ATOM 331 ND1 HIS A 159 29.709 -14.309 -12.721 1.00 0.00 N ATOM 332 CD2 HIS A 159 29.632 -12.720 -11.221 1.00 0.00 C ATOM 333 CE1 HIS A 159 30.136 -14.767 -11.526 1.00 0.00 C ATOM 334 NE2 HIS A 159 30.115 -13.842 -10.566 1.00 0.00 N ATOM 0 H HIS A 159 28.225 -10.275 -15.111 1.00 0.00 H new ATOM 0 HA HIS A 159 30.123 -10.446 -13.088 1.00 0.00 H new ATOM 0 HB2 HIS A 159 27.901 -11.663 -13.341 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.663 -12.706 -14.526 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.478 -11.762 -10.747 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.463 -15.783 -11.363 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.388 -13.937 -9.588 1.00 0.00 H new ATOM 342 N LYS A 160 31.063 -11.980 -15.868 1.00 0.00 N ATOM 343 CA LYS A 160 32.223 -12.592 -16.502 1.00 0.00 C ATOM 344 C LYS A 160 33.208 -11.529 -17.009 1.00 0.00 C ATOM 345 O LYS A 160 34.405 -11.794 -17.081 1.00 0.00 O ATOM 346 CB LYS A 160 31.767 -13.529 -17.637 1.00 0.00 C ATOM 347 CG LYS A 160 31.121 -12.733 -18.784 1.00 0.00 C ATOM 348 CD LYS A 160 32.157 -12.416 -19.875 1.00 0.00 C ATOM 349 CE LYS A 160 32.089 -13.463 -20.993 1.00 0.00 C ATOM 350 NZ LYS A 160 32.436 -14.806 -20.494 1.00 0.00 N ATOM 0 H LYS A 160 30.243 -11.899 -16.469 1.00 0.00 H new ATOM 0 HA LYS A 160 32.754 -13.186 -15.758 1.00 0.00 H new ATOM 0 HB2 LYS A 160 32.621 -14.090 -18.015 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.055 -14.257 -17.248 1.00 0.00 H new ATOM 0 HG2 LYS A 160 30.298 -13.305 -19.212 1.00 0.00 H new ATOM 0 HG3 LYS A 160 30.698 -11.806 -18.397 1.00 0.00 H new ATOM 0 HD2 LYS A 160 31.971 -11.423 -20.285 1.00 0.00 H new ATOM 0 HD3 LYS A 160 33.157 -12.400 -19.443 1.00 0.00 H new ATOM 0 HE2 LYS A 160 31.085 -13.479 -21.418 1.00 0.00 H new ATOM 0 HE3 LYS A 160 32.771 -13.184 -21.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 32.497 -15.468 -21.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 33.353 -14.768 -20.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 31.703 -15.130 -19.831 1.00 0.00 H new ATOM 364 N ARG A 161 32.716 -10.330 -17.369 1.00 0.00 N ATOM 365 CA ARG A 161 33.581 -9.271 -17.881 1.00 0.00 C ATOM 366 C ARG A 161 34.349 -8.616 -16.731 1.00 0.00 C ATOM 367 O ARG A 161 35.572 -8.714 -16.669 1.00 0.00 O ATOM 368 CB ARG A 161 32.743 -8.237 -18.644 1.00 0.00 C ATOM 369 CG ARG A 161 33.658 -7.140 -19.202 1.00 0.00 C ATOM 370 CD ARG A 161 32.819 -6.071 -19.903 1.00 0.00 C ATOM 371 NE ARG A 161 33.662 -4.940 -20.317 1.00 0.00 N ATOM 372 CZ ARG A 161 33.166 -3.811 -20.851 1.00 0.00 C ATOM 373 NH1 ARG A 161 31.848 -3.682 -21.055 1.00 0.00 N ATOM 374 NH2 ARG A 161 33.994 -2.811 -21.182 1.00 0.00 N ATOM 0 H ARG A 161 31.729 -10.078 -17.313 1.00 0.00 H new ATOM 0 HA ARG A 161 34.307 -9.701 -18.571 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.202 -8.721 -19.457 1.00 0.00 H new ATOM 0 HB3 ARG A 161 31.997 -7.799 -17.981 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.236 -6.690 -18.394 1.00 0.00 H new ATOM 0 HG3 ARG A 161 34.373 -7.572 -19.903 1.00 0.00 H new ATOM 0 HD2 ARG A 161 32.326 -6.502 -20.774 1.00 0.00 H new ATOM 0 HD3 ARG A 161 32.034 -5.720 -19.233 1.00 0.00 H new ATOM 0 HE ARG A 161 34.672 -5.016 -20.193 1.00 0.00 H new ATOM 0 HH11 ARG A 161 31.216 -4.443 -20.805 1.00 0.00 H new ATOM 0 HH12 ARG A 161 31.476 -2.823 -21.461 1.00 0.00 H new ATOM 0 HH21 ARG A 161 34.998 -2.908 -21.028 1.00 0.00 H new ATOM 0 HH22 ARG A 161 33.621 -1.953 -21.588 1.00 0.00 H new ATOM 388 N LEU A 162 33.632 -7.939 -15.825 1.00 0.00 N ATOM 389 CA LEU A 162 34.261 -7.259 -14.700 1.00 0.00 C ATOM 390 C LEU A 162 34.775 -8.294 -13.705 1.00 0.00 C ATOM 391 O LEU A 162 35.835 -8.108 -13.110 1.00 0.00 O ATOM 392 CB LEU A 162 33.252 -6.324 -14.005 1.00 0.00 C ATOM 393 CG LEU A 162 32.966 -5.046 -14.833 1.00 0.00 C ATOM 394 CD1 LEU A 162 34.268 -4.410 -15.335 1.00 0.00 C ATOM 395 CD2 LEU A 162 32.059 -5.366 -16.025 1.00 0.00 C ATOM 0 H LEU A 162 32.616 -7.851 -15.854 1.00 0.00 H new ATOM 0 HA LEU A 162 35.094 -6.660 -15.068 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.319 -6.861 -13.837 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.638 -6.041 -13.026 1.00 0.00 H new ATOM 0 HG LEU A 162 32.460 -4.336 -14.178 1.00 0.00 H new ATOM 0 HD11 LEU A 162 34.037 -3.515 -15.913 1.00 0.00 H new ATOM 0 HD12 LEU A 162 34.893 -4.141 -14.484 1.00 0.00 H new ATOM 0 HD13 LEU A 162 34.801 -5.121 -15.966 1.00 0.00 H new ATOM 0 HD21 LEU A 162 31.870 -4.455 -16.593 1.00 0.00 H new ATOM 0 HD22 LEU A 162 32.547 -6.100 -16.667 1.00 0.00 H new ATOM 0 HD23 LEU A 162 31.113 -5.771 -15.664 1.00 0.00 H new ATOM 407 N GLY A 163 34.018 -9.384 -13.526 1.00 0.00 N ATOM 408 CA GLY A 163 34.377 -10.444 -12.600 1.00 0.00 C ATOM 409 C GLY A 163 33.314 -10.550 -11.513 1.00 0.00 C ATOM 410 O GLY A 163 32.217 -10.020 -11.658 1.00 0.00 O ATOM 0 H GLY A 163 33.142 -9.548 -14.023 1.00 0.00 H new ATOM 0 HA2 GLY A 163 34.465 -11.392 -13.131 1.00 0.00 H new ATOM 0 HA3 GLY A 163 35.350 -10.238 -12.154 1.00 0.00 H new ATOM 414 N ASN A 164 33.645 -11.231 -10.416 1.00 0.00 N ATOM 415 CA ASN A 164 32.721 -11.396 -9.301 1.00 0.00 C ATOM 416 C ASN A 164 32.703 -10.124 -8.432 1.00 0.00 C ATOM 417 O ASN A 164 32.196 -10.140 -7.311 1.00 0.00 O ATOM 418 CB ASN A 164 33.146 -12.632 -8.505 1.00 0.00 C ATOM 419 CG ASN A 164 32.157 -12.953 -7.385 1.00 0.00 C ATOM 420 OD1 ASN A 164 30.955 -13.035 -7.617 1.00 0.00 O ATOM 421 ND2 ASN A 164 32.669 -13.137 -6.167 1.00 0.00 N ATOM 0 H ASN A 164 34.551 -11.678 -10.278 1.00 0.00 H new ATOM 0 HA ASN A 164 31.703 -11.544 -9.662 1.00 0.00 H new ATOM 0 HB2 ASN A 164 33.225 -13.487 -9.176 1.00 0.00 H new ATOM 0 HB3 ASN A 164 34.136 -12.468 -8.080 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.054 -13.356 -5.383 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.675 -13.059 -6.020 1.00 0.00 H new ATOM 428 N ARG A 165 33.253 -9.018 -8.960 1.00 0.00 N ATOM 429 CA ARG A 165 33.273 -7.746 -8.260 1.00 0.00 C ATOM 430 C ARG A 165 31.918 -7.062 -8.441 1.00 0.00 C ATOM 431 O ARG A 165 31.776 -6.153 -9.252 1.00 0.00 O ATOM 432 CB ARG A 165 34.401 -6.873 -8.821 1.00 0.00 C ATOM 433 CG ARG A 165 35.764 -7.542 -8.593 1.00 0.00 C ATOM 434 CD ARG A 165 36.480 -7.721 -9.936 1.00 0.00 C ATOM 435 NE ARG A 165 37.855 -8.194 -9.736 1.00 0.00 N ATOM 436 CZ ARG A 165 38.726 -8.368 -10.745 1.00 0.00 C ATOM 437 NH1 ARG A 165 38.334 -8.192 -12.014 1.00 0.00 N ATOM 438 NH2 ARG A 165 39.991 -8.719 -10.481 1.00 0.00 N ATOM 0 H ARG A 165 33.692 -8.992 -9.881 1.00 0.00 H new ATOM 0 HA ARG A 165 33.454 -7.901 -7.196 1.00 0.00 H new ATOM 0 HB2 ARG A 165 34.245 -6.707 -9.887 1.00 0.00 H new ATOM 0 HB3 ARG A 165 34.385 -5.895 -8.341 1.00 0.00 H new ATOM 0 HG2 ARG A 165 36.372 -6.933 -7.924 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.629 -8.510 -8.110 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.932 -8.433 -10.553 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.491 -6.774 -10.476 1.00 0.00 H new ATOM 0 HE ARG A 165 38.164 -8.400 -8.786 1.00 0.00 H new ATOM 0 HH11 ARG A 165 37.371 -7.925 -12.218 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.999 -8.325 -12.776 1.00 0.00 H new ATOM 0 HH21 ARG A 165 40.292 -8.854 -9.516 1.00 0.00 H new ATOM 0 HH22 ARG A 165 40.654 -8.852 -11.245 1.00 0.00 H new ATOM 452 N TRP A 166 30.920 -7.508 -7.681 1.00 0.00 N ATOM 453 CA TRP A 166 29.575 -6.959 -7.762 1.00 0.00 C ATOM 454 C TRP A 166 29.570 -5.463 -7.423 1.00 0.00 C ATOM 455 O TRP A 166 28.710 -4.725 -7.901 1.00 0.00 O ATOM 456 CB TRP A 166 28.674 -7.734 -6.808 1.00 0.00 C ATOM 457 CG TRP A 166 28.541 -9.191 -7.128 1.00 0.00 C ATOM 458 CD1 TRP A 166 28.994 -10.204 -6.373 1.00 0.00 C ATOM 459 CD2 TRP A 166 27.920 -9.824 -8.287 1.00 0.00 C ATOM 460 NE1 TRP A 166 28.691 -11.416 -6.940 1.00 0.00 N ATOM 461 CE2 TRP A 166 28.013 -11.243 -8.130 1.00 0.00 C ATOM 462 CE3 TRP A 166 27.278 -9.352 -9.456 1.00 0.00 C ATOM 463 CZ2 TRP A 166 27.488 -12.136 -9.067 1.00 0.00 C ATOM 464 CZ3 TRP A 166 26.753 -10.252 -10.408 1.00 0.00 C ATOM 465 CH2 TRP A 166 26.852 -11.639 -10.209 1.00 0.00 C ATOM 0 H TRP A 166 31.023 -8.257 -6.996 1.00 0.00 H new ATOM 0 HA TRP A 166 29.202 -7.060 -8.781 1.00 0.00 H new ATOM 0 HB2 TRP A 166 29.064 -7.631 -5.795 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.683 -7.281 -6.815 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.527 -10.081 -5.442 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.934 -12.321 -6.537 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.188 -8.289 -9.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.573 -13.201 -8.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.271 -9.871 -11.297 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.438 -12.321 -10.937 1.00 0.00 H new ATOM 476 N ALA A 167 30.527 -5.021 -6.597 1.00 0.00 N ATOM 477 CA ALA A 167 30.614 -3.628 -6.182 1.00 0.00 C ATOM 478 C ALA A 167 30.756 -2.703 -7.396 1.00 0.00 C ATOM 479 O ALA A 167 29.892 -1.860 -7.634 1.00 0.00 O ATOM 480 CB ALA A 167 31.803 -3.461 -5.233 1.00 0.00 C ATOM 0 H ALA A 167 31.254 -5.619 -6.204 1.00 0.00 H new ATOM 0 HA ALA A 167 29.696 -3.351 -5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.874 -2.420 -4.918 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.662 -4.096 -4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.721 -3.748 -5.746 1.00 0.00 H new ATOM 486 N GLU A 168 31.849 -2.854 -8.157 1.00 0.00 N ATOM 487 CA GLU A 168 32.105 -2.002 -9.313 1.00 0.00 C ATOM 488 C GLU A 168 31.036 -2.212 -10.393 1.00 0.00 C ATOM 489 O GLU A 168 30.738 -1.289 -11.145 1.00 0.00 O ATOM 490 CB GLU A 168 33.517 -2.265 -9.860 1.00 0.00 C ATOM 491 CG GLU A 168 33.643 -3.702 -10.369 1.00 0.00 C ATOM 492 CD GLU A 168 35.087 -4.019 -10.736 1.00 0.00 C ATOM 493 OE1 GLU A 168 35.891 -4.180 -9.793 1.00 0.00 O ATOM 494 OE2 GLU A 168 35.360 -4.098 -11.953 1.00 0.00 O ATOM 0 H GLU A 168 32.566 -3.559 -7.988 1.00 0.00 H new ATOM 0 HA GLU A 168 32.051 -0.959 -9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.734 -1.567 -10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 168 34.254 -2.086 -9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.297 -4.396 -9.603 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.002 -3.842 -11.240 1.00 0.00 H new ATOM 501 N ILE A 169 30.457 -3.418 -10.469 1.00 0.00 N ATOM 502 CA ILE A 169 29.422 -3.707 -11.454 1.00 0.00 C ATOM 503 C ILE A 169 28.189 -2.844 -11.180 1.00 0.00 C ATOM 504 O ILE A 169 27.693 -2.171 -12.080 1.00 0.00 O ATOM 505 CB ILE A 169 29.069 -5.205 -11.415 1.00 0.00 C ATOM 506 CG1 ILE A 169 30.181 -6.002 -12.115 1.00 0.00 C ATOM 507 CG2 ILE A 169 27.729 -5.446 -12.128 1.00 0.00 C ATOM 508 CD1 ILE A 169 29.958 -7.503 -11.924 1.00 0.00 C ATOM 0 H ILE A 169 30.691 -4.202 -9.860 1.00 0.00 H new ATOM 0 HA ILE A 169 29.791 -3.468 -12.452 1.00 0.00 H new ATOM 0 HB ILE A 169 28.980 -5.531 -10.379 1.00 0.00 H new ATOM 0 HG12 ILE A 169 30.196 -5.762 -13.178 1.00 0.00 H new ATOM 0 HG13 ILE A 169 31.152 -5.717 -11.710 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.486 -6.508 -12.096 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.944 -4.879 -11.628 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.806 -5.122 -13.166 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.753 -8.056 -12.425 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.966 -7.740 -10.860 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.995 -7.785 -12.351 1.00 0.00 H new ATOM 520 N ALA A 170 27.688 -2.871 -9.938 1.00 0.00 N ATOM 521 CA ALA A 170 26.492 -2.121 -9.578 1.00 0.00 C ATOM 522 C ALA A 170 26.753 -0.616 -9.572 1.00 0.00 C ATOM 523 O ALA A 170 25.806 0.168 -9.530 1.00 0.00 O ATOM 524 CB ALA A 170 25.985 -2.580 -8.218 1.00 0.00 C ATOM 0 H ALA A 170 28.096 -3.405 -9.171 1.00 0.00 H new ATOM 0 HA ALA A 170 25.729 -2.317 -10.331 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.091 -2.016 -7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.745 -3.642 -8.259 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.756 -2.411 -7.466 1.00 0.00 H new ATOM 530 N LYS A 171 28.025 -0.204 -9.618 1.00 0.00 N ATOM 531 CA LYS A 171 28.378 1.209 -9.621 1.00 0.00 C ATOM 532 C LYS A 171 27.690 1.931 -10.787 1.00 0.00 C ATOM 533 O LYS A 171 27.424 3.128 -10.691 1.00 0.00 O ATOM 534 CB LYS A 171 29.901 1.346 -9.721 1.00 0.00 C ATOM 535 CG LYS A 171 30.326 2.775 -9.372 1.00 0.00 C ATOM 536 CD LYS A 171 31.853 2.875 -9.401 1.00 0.00 C ATOM 537 CE LYS A 171 32.281 4.301 -9.054 1.00 0.00 C ATOM 538 NZ LYS A 171 33.750 4.434 -9.086 1.00 0.00 N ATOM 0 H LYS A 171 28.825 -0.836 -9.654 1.00 0.00 H new ATOM 0 HA LYS A 171 28.037 1.671 -8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 171 30.382 0.640 -9.044 1.00 0.00 H new ATOM 0 HB3 LYS A 171 30.231 1.097 -10.730 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.891 3.479 -10.082 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.952 3.046 -8.385 1.00 0.00 H new ATOM 0 HD2 LYS A 171 32.287 2.171 -8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 171 32.227 2.603 -10.388 1.00 0.00 H new ATOM 0 HE2 LYS A 171 31.833 5.001 -9.760 1.00 0.00 H new ATOM 0 HE3 LYS A 171 31.910 4.565 -8.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 34.015 5.411 -8.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 34.173 3.781 -8.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 34.099 4.204 -10.038 1.00 0.00 H new ATOM 552 N LEU A 172 27.408 1.203 -11.886 1.00 0.00 N ATOM 553 CA LEU A 172 26.770 1.790 -13.062 1.00 0.00 C ATOM 554 C LEU A 172 25.355 1.228 -13.276 1.00 0.00 C ATOM 555 O LEU A 172 24.758 1.466 -14.325 1.00 0.00 O ATOM 556 CB LEU A 172 27.649 1.543 -14.300 1.00 0.00 C ATOM 557 CG LEU A 172 27.852 0.036 -14.531 1.00 0.00 C ATOM 558 CD1 LEU A 172 27.678 -0.282 -16.017 1.00 0.00 C ATOM 559 CD2 LEU A 172 29.260 -0.370 -14.089 1.00 0.00 C ATOM 0 H LEU A 172 27.615 0.208 -11.975 1.00 0.00 H new ATOM 0 HA LEU A 172 26.668 2.863 -12.901 1.00 0.00 H new ATOM 0 HB2 LEU A 172 27.183 1.991 -15.178 1.00 0.00 H new ATOM 0 HB3 LEU A 172 28.616 2.029 -14.169 1.00 0.00 H new ATOM 0 HG LEU A 172 27.115 -0.518 -13.949 1.00 0.00 H new ATOM 0 HD11 LEU A 172 27.822 -1.350 -16.180 1.00 0.00 H new ATOM 0 HD12 LEU A 172 26.675 0.001 -16.335 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.413 0.276 -16.597 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.399 -1.438 -14.254 1.00 0.00 H new ATOM 0 HD22 LEU A 172 29.998 0.186 -14.668 1.00 0.00 H new ATOM 0 HD23 LEU A 172 29.387 -0.147 -13.030 1.00 0.00 H new ATOM 571 N LEU A 173 24.805 0.491 -12.293 1.00 0.00 N ATOM 572 CA LEU A 173 23.451 -0.051 -12.415 1.00 0.00 C ATOM 573 C LEU A 173 22.448 0.995 -11.910 1.00 0.00 C ATOM 574 O LEU A 173 22.773 1.774 -11.015 1.00 0.00 O ATOM 575 CB LEU A 173 23.321 -1.364 -11.632 1.00 0.00 C ATOM 576 CG LEU A 173 24.054 -2.511 -12.363 1.00 0.00 C ATOM 577 CD1 LEU A 173 23.836 -3.819 -11.597 1.00 0.00 C ATOM 578 CD2 LEU A 173 23.517 -2.682 -13.789 1.00 0.00 C ATOM 0 H LEU A 173 25.276 0.263 -11.418 1.00 0.00 H new ATOM 0 HA LEU A 173 23.239 -0.273 -13.461 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.736 -1.239 -10.632 1.00 0.00 H new ATOM 0 HB3 LEU A 173 22.268 -1.618 -11.510 1.00 0.00 H new ATOM 0 HG LEU A 173 25.115 -2.266 -12.411 1.00 0.00 H new ATOM 0 HD11 LEU A 173 24.352 -4.631 -12.110 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.231 -3.719 -10.586 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.770 -4.039 -11.549 1.00 0.00 H new ATOM 0 HD21 LEU A 173 24.049 -3.495 -14.283 1.00 0.00 H new ATOM 0 HD22 LEU A 173 22.453 -2.914 -13.752 1.00 0.00 H new ATOM 0 HD23 LEU A 173 23.667 -1.758 -14.348 1.00 0.00 H new ATOM 590 N PRO A 174 21.223 1.023 -12.486 1.00 0.00 N ATOM 591 CA PRO A 174 20.204 1.987 -12.113 1.00 0.00 C ATOM 592 C PRO A 174 19.817 1.839 -10.642 1.00 0.00 C ATOM 593 O PRO A 174 19.904 2.799 -9.879 1.00 0.00 O ATOM 594 CB PRO A 174 19.009 1.709 -13.034 1.00 0.00 C ATOM 595 CG PRO A 174 19.346 0.444 -13.832 1.00 0.00 C ATOM 596 CD PRO A 174 20.808 0.111 -13.534 1.00 0.00 C ATOM 0 HA PRO A 174 20.562 3.010 -12.227 1.00 0.00 H new ATOM 0 HB2 PRO A 174 18.098 1.567 -12.452 1.00 0.00 H new ATOM 0 HB3 PRO A 174 18.833 2.552 -13.703 1.00 0.00 H new ATOM 0 HG2 PRO A 174 18.695 -0.381 -13.543 1.00 0.00 H new ATOM 0 HG3 PRO A 174 19.197 0.609 -14.899 1.00 0.00 H new ATOM 0 HD2 PRO A 174 20.914 -0.925 -13.213 1.00 0.00 H new ATOM 0 HD3 PRO A 174 21.425 0.234 -14.424 1.00 0.00 H new ATOM 604 N GLY A 175 19.383 0.636 -10.248 1.00 0.00 N ATOM 605 CA GLY A 175 18.971 0.378 -8.877 1.00 0.00 C ATOM 606 C GLY A 175 19.010 -1.117 -8.593 1.00 0.00 C ATOM 607 O GLY A 175 17.980 -1.790 -8.658 1.00 0.00 O ATOM 0 H GLY A 175 19.311 -0.172 -10.867 1.00 0.00 H new ATOM 0 HA2 GLY A 175 19.629 0.905 -8.186 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.964 0.761 -8.713 1.00 0.00 H new ATOM 611 N ARG A 176 20.207 -1.630 -8.279 1.00 0.00 N ATOM 612 CA ARG A 176 20.405 -3.038 -7.975 1.00 0.00 C ATOM 613 C ARG A 176 21.481 -3.168 -6.897 1.00 0.00 C ATOM 614 O ARG A 176 22.652 -2.902 -7.160 1.00 0.00 O ATOM 615 CB ARG A 176 20.842 -3.786 -9.247 1.00 0.00 C ATOM 616 CG ARG A 176 19.670 -3.955 -10.226 1.00 0.00 C ATOM 617 CD ARG A 176 18.613 -4.893 -9.629 1.00 0.00 C ATOM 618 NE ARG A 176 17.798 -5.509 -10.685 1.00 0.00 N ATOM 619 CZ ARG A 176 16.789 -4.873 -11.305 1.00 0.00 C ATOM 620 NH1 ARG A 176 16.513 -3.592 -11.015 1.00 0.00 N ATOM 621 NH2 ARG A 176 16.055 -5.525 -12.219 1.00 0.00 N ATOM 0 H ARG A 176 21.060 -1.074 -8.231 1.00 0.00 H new ATOM 0 HA ARG A 176 19.473 -3.473 -7.613 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.649 -3.239 -9.734 1.00 0.00 H new ATOM 0 HB3 ARG A 176 21.238 -4.765 -8.978 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.225 -2.984 -10.443 1.00 0.00 H new ATOM 0 HG3 ARG A 176 20.032 -4.358 -11.172 1.00 0.00 H new ATOM 0 HD2 ARG A 176 19.102 -5.671 -9.042 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.970 -4.336 -8.947 1.00 0.00 H new ATOM 0 HE ARG A 176 18.009 -6.468 -10.962 1.00 0.00 H new ATOM 0 HH11 ARG A 176 17.070 -3.095 -10.320 1.00 0.00 H new ATOM 0 HH12 ARG A 176 15.746 -3.116 -11.489 1.00 0.00 H new ATOM 0 HH21 ARG A 176 16.264 -6.499 -12.441 1.00 0.00 H new ATOM 0 HH22 ARG A 176 15.288 -5.047 -12.692 1.00 0.00 H new ATOM 635 N THR A 177 21.083 -3.576 -5.688 1.00 0.00 N ATOM 636 CA THR A 177 22.017 -3.746 -4.584 1.00 0.00 C ATOM 637 C THR A 177 22.748 -5.077 -4.740 1.00 0.00 C ATOM 638 O THR A 177 22.203 -6.018 -5.318 1.00 0.00 O ATOM 639 CB THR A 177 21.253 -3.705 -3.255 1.00 0.00 C ATOM 640 OG1 THR A 177 20.231 -4.683 -3.265 1.00 0.00 O ATOM 641 CG2 THR A 177 20.630 -2.322 -3.057 1.00 0.00 C ATOM 0 H THR A 177 20.114 -3.794 -5.454 1.00 0.00 H new ATOM 0 HA THR A 177 22.749 -2.939 -4.591 1.00 0.00 H new ATOM 0 HB THR A 177 21.946 -3.909 -2.439 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.745 -4.657 -2.415 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.089 -2.299 -2.111 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.416 -1.567 -3.044 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.941 -2.113 -3.875 1.00 0.00 H new ATOM 649 N ASP A 178 23.983 -5.161 -4.223 1.00 0.00 N ATOM 650 CA ASP A 178 24.767 -6.385 -4.311 1.00 0.00 C ATOM 651 C ASP A 178 23.976 -7.539 -3.696 1.00 0.00 C ATOM 652 O ASP A 178 23.964 -8.637 -4.237 1.00 0.00 O ATOM 653 CB ASP A 178 26.121 -6.198 -3.610 1.00 0.00 C ATOM 654 CG ASP A 178 26.006 -6.402 -2.103 1.00 0.00 C ATOM 655 OD1 ASP A 178 25.477 -5.483 -1.446 1.00 0.00 O ATOM 656 OD2 ASP A 178 26.445 -7.482 -1.643 1.00 0.00 O ATOM 0 H ASP A 178 24.452 -4.394 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 178 24.966 -6.621 -5.357 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.844 -6.904 -4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.502 -5.197 -3.814 1.00 0.00 H new ATOM 661 N ASN A 179 23.310 -7.278 -2.564 1.00 0.00 N ATOM 662 CA ASN A 179 22.517 -8.283 -1.878 1.00 0.00 C ATOM 663 C ASN A 179 21.506 -8.901 -2.842 1.00 0.00 C ATOM 664 O ASN A 179 21.420 -10.121 -2.951 1.00 0.00 O ATOM 665 CB ASN A 179 21.796 -7.642 -0.687 1.00 0.00 C ATOM 666 CG ASN A 179 22.780 -6.941 0.243 1.00 0.00 C ATOM 667 OD1 ASN A 179 22.747 -5.722 0.377 1.00 0.00 O ATOM 668 ND2 ASN A 179 23.656 -7.714 0.886 1.00 0.00 N ATOM 0 H ASN A 179 23.311 -6.366 -2.107 1.00 0.00 H new ATOM 0 HA ASN A 179 23.173 -9.073 -1.513 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.059 -6.925 -1.048 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.251 -8.407 -0.134 1.00 0.00 H new ATOM 0 HD21 ASN A 179 24.336 -7.295 1.521 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.646 -8.724 0.743 1.00 0.00 H new ATOM 675 N ALA A 180 20.741 -8.052 -3.537 1.00 0.00 N ATOM 676 CA ALA A 180 19.721 -8.508 -4.468 1.00 0.00 C ATOM 677 C ALA A 180 20.354 -9.203 -5.672 1.00 0.00 C ATOM 678 O ALA A 180 19.835 -10.207 -6.144 1.00 0.00 O ATOM 679 CB ALA A 180 18.891 -7.314 -4.925 1.00 0.00 C ATOM 0 H ALA A 180 20.816 -7.037 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 180 19.078 -9.230 -3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.124 -7.650 -5.623 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.416 -6.849 -4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.538 -6.588 -5.418 1.00 0.00 H new ATOM 685 N ILE A 181 21.469 -8.665 -6.170 1.00 0.00 N ATOM 686 CA ILE A 181 22.151 -9.231 -7.326 1.00 0.00 C ATOM 687 C ILE A 181 22.615 -10.644 -7.023 1.00 0.00 C ATOM 688 O ILE A 181 22.302 -11.564 -7.759 1.00 0.00 O ATOM 689 CB ILE A 181 23.336 -8.340 -7.700 1.00 0.00 C ATOM 690 CG1 ILE A 181 22.812 -7.122 -8.453 1.00 0.00 C ATOM 691 CG2 ILE A 181 24.313 -9.112 -8.583 1.00 0.00 C ATOM 692 CD1 ILE A 181 23.788 -5.953 -8.298 1.00 0.00 C ATOM 0 H ILE A 181 21.918 -7.834 -5.785 1.00 0.00 H new ATOM 0 HA ILE A 181 21.461 -9.276 -8.169 1.00 0.00 H new ATOM 0 HB ILE A 181 23.858 -8.024 -6.797 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.685 -7.363 -9.508 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.831 -6.841 -8.070 1.00 0.00 H new ATOM 0 HG21 ILE A 181 25.154 -8.469 -8.844 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.678 -9.986 -8.044 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.806 -9.433 -9.493 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.407 -5.087 -8.839 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.893 -5.704 -7.242 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.760 -6.234 -8.703 1.00 0.00 H new ATOM 704 N LYS A 182 23.366 -10.807 -5.942 1.00 0.00 N ATOM 705 CA LYS A 182 23.868 -12.104 -5.540 1.00 0.00 C ATOM 706 C LYS A 182 22.715 -13.021 -5.208 1.00 0.00 C ATOM 707 O LYS A 182 22.742 -14.201 -5.559 1.00 0.00 O ATOM 708 CB LYS A 182 24.755 -11.926 -4.329 1.00 0.00 C ATOM 709 CG LYS A 182 26.125 -11.439 -4.782 1.00 0.00 C ATOM 710 CD LYS A 182 26.678 -10.434 -3.764 1.00 0.00 C ATOM 711 CE LYS A 182 26.582 -11.006 -2.340 1.00 0.00 C ATOM 712 NZ LYS A 182 27.195 -10.085 -1.365 1.00 0.00 N ATOM 0 H LYS A 182 23.641 -10.043 -5.324 1.00 0.00 H new ATOM 0 HA LYS A 182 24.441 -12.549 -6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 182 24.310 -11.209 -3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.850 -12.869 -3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 182 26.807 -12.283 -4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.050 -10.972 -5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.716 -10.201 -4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 182 26.120 -9.500 -3.826 1.00 0.00 H new ATOM 0 HE2 LYS A 182 25.537 -11.175 -2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 182 27.082 -11.974 -2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 26.825 -10.289 -0.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.227 -10.212 -1.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 26.966 -9.104 -1.623 1.00 0.00 H new ATOM 726 N ASN A 183 21.694 -12.485 -4.529 1.00 0.00 N ATOM 727 CA ASN A 183 20.542 -13.275 -4.182 1.00 0.00 C ATOM 728 C ASN A 183 19.954 -13.840 -5.468 1.00 0.00 C ATOM 729 O ASN A 183 19.648 -15.019 -5.544 1.00 0.00 O ATOM 730 CB ASN A 183 19.515 -12.419 -3.437 1.00 0.00 C ATOM 731 CG ASN A 183 18.218 -13.192 -3.225 1.00 0.00 C ATOM 732 OD1 ASN A 183 17.228 -12.945 -3.907 1.00 0.00 O ATOM 733 ND2 ASN A 183 18.226 -14.130 -2.278 1.00 0.00 N ATOM 0 H ASN A 183 21.656 -11.514 -4.218 1.00 0.00 H new ATOM 0 HA ASN A 183 20.826 -14.092 -3.519 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.922 -12.111 -2.474 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.313 -11.510 -4.003 1.00 0.00 H new ATOM 0 HD21 ASN A 183 17.385 -14.678 -2.095 1.00 0.00 H new ATOM 0 HD22 ASN A 183 19.073 -14.300 -1.736 1.00 0.00 H new ATOM 740 N HIS A 184 19.816 -12.981 -6.485 1.00 0.00 N ATOM 741 CA HIS A 184 19.298 -13.380 -7.777 1.00 0.00 C ATOM 742 C HIS A 184 20.249 -14.373 -8.447 1.00 0.00 C ATOM 743 O HIS A 184 19.808 -15.353 -9.050 1.00 0.00 O ATOM 744 CB HIS A 184 19.141 -12.138 -8.668 1.00 0.00 C ATOM 745 CG HIS A 184 18.450 -12.461 -9.966 1.00 0.00 C ATOM 746 ND1 HIS A 184 17.216 -13.097 -10.023 1.00 0.00 N ATOM 747 CD2 HIS A 184 18.805 -12.264 -11.274 1.00 0.00 C ATOM 748 CE1 HIS A 184 16.914 -13.236 -11.328 1.00 0.00 C ATOM 749 NE2 HIS A 184 17.845 -12.747 -12.146 1.00 0.00 N ATOM 0 H HIS A 184 20.063 -11.993 -6.425 1.00 0.00 H new ATOM 0 HA HIS A 184 18.329 -13.860 -7.638 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.572 -11.377 -8.133 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.123 -11.714 -8.876 1.00 0.00 H new ATOM 0 HD2 HIS A 184 19.723 -11.789 -11.587 1.00 0.00 H new ATOM 0 HE1 HIS A 184 16.004 -13.700 -11.678 1.00 0.00 H new ATOM 0 HE2 HIS A 184 17.849 -12.732 -13.166 1.00 0.00 H new ATOM 757 N TRP A 185 21.558 -14.103 -8.352 1.00 0.00 N ATOM 758 CA TRP A 185 22.564 -14.916 -9.005 1.00 0.00 C ATOM 759 C TRP A 185 22.472 -16.375 -8.544 1.00 0.00 C ATOM 760 O TRP A 185 22.523 -17.283 -9.365 1.00 0.00 O ATOM 761 CB TRP A 185 23.962 -14.346 -8.756 1.00 0.00 C ATOM 762 CG TRP A 185 25.005 -14.921 -9.658 1.00 0.00 C ATOM 763 CD1 TRP A 185 25.992 -15.756 -9.295 1.00 0.00 C ATOM 764 CD2 TRP A 185 25.170 -14.732 -11.092 1.00 0.00 C ATOM 765 NE1 TRP A 185 26.764 -16.107 -10.377 1.00 0.00 N ATOM 766 CE2 TRP A 185 26.297 -15.497 -11.527 1.00 0.00 C ATOM 767 CE3 TRP A 185 24.483 -13.991 -12.079 1.00 0.00 C ATOM 768 CZ2 TRP A 185 26.709 -15.525 -12.860 1.00 0.00 C ATOM 769 CZ3 TRP A 185 24.902 -14.018 -13.424 1.00 0.00 C ATOM 770 CH2 TRP A 185 26.008 -14.788 -13.809 1.00 0.00 C ATOM 0 H TRP A 185 21.936 -13.318 -7.822 1.00 0.00 H new ATOM 0 HA TRP A 185 22.377 -14.895 -10.079 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.934 -13.264 -8.888 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.244 -14.534 -7.720 1.00 0.00 H new ATOM 0 HD1 TRP A 185 26.157 -16.106 -8.287 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.570 -16.731 -10.337 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.626 -13.396 -11.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.565 -16.114 -13.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 24.367 -13.441 -14.164 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.316 -14.809 -14.844 1.00 0.00 H new ATOM 781 N ASN A 186 22.347 -16.600 -7.233 1.00 0.00 N ATOM 782 CA ASN A 186 22.312 -17.954 -6.690 1.00 0.00 C ATOM 783 C ASN A 186 20.885 -18.515 -6.637 1.00 0.00 C ATOM 784 O ASN A 186 20.676 -19.685 -6.935 1.00 0.00 O ATOM 785 CB ASN A 186 22.929 -17.942 -5.292 1.00 0.00 C ATOM 786 CG ASN A 186 22.930 -19.344 -4.690 1.00 0.00 C ATOM 787 OD1 ASN A 186 23.807 -20.150 -4.992 1.00 0.00 O ATOM 788 ND2 ASN A 186 21.947 -19.636 -3.837 1.00 0.00 N ATOM 0 H ASN A 186 22.269 -15.862 -6.533 1.00 0.00 H new ATOM 0 HA ASN A 186 22.886 -18.605 -7.349 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.949 -17.562 -5.343 1.00 0.00 H new ATOM 0 HB3 ASN A 186 22.368 -17.265 -4.648 1.00 0.00 H new ATOM 0 HD21 ASN A 186 21.903 -20.560 -3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 186 21.240 -18.936 -3.615 1.00 0.00 H new ATOM 795 N SER A 187 19.910 -17.695 -6.235 1.00 0.00 N ATOM 796 CA SER A 187 18.534 -18.159 -6.041 1.00 0.00 C ATOM 797 C SER A 187 17.901 -18.717 -7.321 1.00 0.00 C ATOM 798 O SER A 187 16.900 -19.425 -7.228 1.00 0.00 O ATOM 799 CB SER A 187 17.676 -17.020 -5.485 1.00 0.00 C ATOM 800 OG SER A 187 16.391 -17.510 -5.159 1.00 0.00 O ATOM 0 H SER A 187 20.049 -16.704 -6.037 1.00 0.00 H new ATOM 0 HA SER A 187 18.574 -18.982 -5.328 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.149 -16.593 -4.600 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.595 -16.220 -6.220 1.00 0.00 H new ATOM 0 HG SER A 187 16.183 -18.284 -5.723 1.00 0.00 H new ATOM 806 N THR A 188 18.447 -18.416 -8.510 1.00 0.00 N ATOM 807 CA THR A 188 17.847 -18.920 -9.744 1.00 0.00 C ATOM 808 C THR A 188 18.840 -18.968 -10.902 1.00 0.00 C ATOM 809 O THR A 188 18.805 -19.912 -11.693 1.00 0.00 O ATOM 810 CB THR A 188 16.610 -18.070 -10.103 1.00 0.00 C ATOM 811 OG1 THR A 188 16.003 -18.595 -11.264 1.00 0.00 O ATOM 812 CG2 THR A 188 17.002 -16.609 -10.351 1.00 0.00 C ATOM 0 H THR A 188 19.280 -17.842 -8.637 1.00 0.00 H new ATOM 0 HA THR A 188 17.538 -19.950 -9.569 1.00 0.00 H new ATOM 0 HB THR A 188 15.912 -18.104 -9.266 1.00 0.00 H new ATOM 0 HG1 THR A 188 15.216 -18.058 -11.493 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.113 -16.031 -10.602 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.460 -16.197 -9.452 1.00 0.00 H new ATOM 0 HG23 THR A 188 17.713 -16.558 -11.176 1.00 0.00 H new ATOM 820 N MET A 189 19.711 -17.965 -11.028 1.00 0.00 N ATOM 821 CA MET A 189 20.623 -17.892 -12.157 1.00 0.00 C ATOM 822 C MET A 189 21.828 -18.829 -11.979 1.00 0.00 C ATOM 823 O MET A 189 22.962 -18.368 -11.870 1.00 0.00 O ATOM 824 CB MET A 189 21.061 -16.441 -12.345 1.00 0.00 C ATOM 825 CG MET A 189 21.631 -16.263 -13.746 1.00 0.00 C ATOM 826 SD MET A 189 21.659 -14.546 -14.314 1.00 0.00 S ATOM 827 CE MET A 189 22.091 -14.844 -16.045 1.00 0.00 C ATOM 0 H MET A 189 19.799 -17.198 -10.362 1.00 0.00 H new ATOM 0 HA MET A 189 20.106 -18.230 -13.055 1.00 0.00 H new ATOM 0 HB2 MET A 189 20.214 -15.772 -12.197 1.00 0.00 H new ATOM 0 HB3 MET A 189 21.810 -16.176 -11.599 1.00 0.00 H new ATOM 0 HG2 MET A 189 22.646 -16.659 -13.767 1.00 0.00 H new ATOM 0 HG3 MET A 189 21.042 -16.857 -14.445 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.416 -13.911 -16.505 1.00 0.00 H new ATOM 0 HE2 MET A 189 22.898 -15.575 -16.098 1.00 0.00 H new ATOM 0 HE3 MET A 189 21.220 -15.226 -16.577 1.00 0.00 H new