USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 366 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 177 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 179 ASN : amide:sc= -0.648 X(o=-0.65,f=-0.74) USER MOD Set 2.1: A 159 HIS : no HD1:sc= 0.427 K(o=0.82,f=-3.2!) USER MOD Set 2.2: A 164 ASN : amide:sc= 0.398 K(o=0.82,f=-0.18) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 167:sc= -0.0091 (180deg=-0.209) USER MOD Single : A 171 LYS NZ :NH3+ 176:sc= 2.07 (180deg=1.99) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 184 HIS : no HD1:sc= -0.338 K(o=-0.34,f=-1.3) USER MOD Single : A 186 ASN :FLIP amide:sc= -0.167 F(o=-1.4,f=-0.17) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl 172:sc= -0.387 (180deg=-0.49) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.354 -10.057 -12.620 1.00 0.00 N ATOM 89 CA TRP A 147 14.335 -9.608 -13.597 1.00 0.00 C ATOM 90 C TRP A 147 13.836 -9.935 -15.006 1.00 0.00 C ATOM 91 O TRP A 147 12.761 -10.514 -15.165 1.00 0.00 O ATOM 92 CB TRP A 147 15.669 -10.311 -13.325 1.00 0.00 C ATOM 93 CG TRP A 147 16.382 -9.862 -12.087 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.150 -10.303 -10.838 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.460 -8.890 -11.956 1.00 0.00 C ATOM 96 NE1 TRP A 147 16.990 -9.693 -9.937 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.827 -8.801 -10.576 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.173 -8.071 -12.859 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.836 -7.950 -10.123 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.191 -7.208 -12.403 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.519 -7.148 -11.041 1.00 0.00 C ATOM 0 HA TRP A 147 14.477 -8.530 -13.518 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.489 -11.384 -13.253 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.326 -10.155 -14.181 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.403 -11.038 -10.578 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.994 -9.875 -8.933 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.936 -8.106 -13.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.087 -7.912 -9.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.723 -6.588 -13.109 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.299 -6.482 -10.702 1.00 0.00 H new ATOM 112 N THR A 148 14.626 -9.562 -16.024 1.00 0.00 N ATOM 113 CA THR A 148 14.290 -9.824 -17.419 1.00 0.00 C ATOM 114 C THR A 148 15.527 -10.353 -18.136 1.00 0.00 C ATOM 115 O THR A 148 16.647 -10.057 -17.734 1.00 0.00 O ATOM 116 CB THR A 148 13.793 -8.536 -18.088 1.00 0.00 C ATOM 117 OG1 THR A 148 14.793 -7.542 -18.009 1.00 0.00 O ATOM 118 CG2 THR A 148 12.523 -8.038 -17.393 1.00 0.00 C ATOM 0 H THR A 148 15.512 -9.072 -15.897 1.00 0.00 H new ATOM 0 HA THR A 148 13.495 -10.568 -17.474 1.00 0.00 H new ATOM 0 HB THR A 148 13.569 -8.746 -19.134 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.473 -6.721 -18.439 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.179 -7.123 -17.876 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.747 -8.800 -17.464 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.738 -7.836 -16.344 1.00 0.00 H new ATOM 126 N GLU A 149 15.319 -11.135 -19.201 1.00 0.00 N ATOM 127 CA GLU A 149 16.413 -11.717 -19.971 1.00 0.00 C ATOM 128 C GLU A 149 17.379 -10.626 -20.441 1.00 0.00 C ATOM 129 O GLU A 149 18.592 -10.835 -20.467 1.00 0.00 O ATOM 130 CB GLU A 149 15.844 -12.473 -21.181 1.00 0.00 C ATOM 131 CG GLU A 149 14.751 -13.455 -20.737 1.00 0.00 C ATOM 132 CD GLU A 149 13.361 -12.879 -20.994 1.00 0.00 C ATOM 133 OE1 GLU A 149 12.915 -12.071 -20.150 1.00 0.00 O ATOM 134 OE2 GLU A 149 12.775 -13.255 -22.032 1.00 0.00 O ATOM 0 H GLU A 149 14.391 -11.379 -19.548 1.00 0.00 H new ATOM 0 HA GLU A 149 16.962 -12.412 -19.335 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.434 -11.764 -21.900 1.00 0.00 H new ATOM 0 HB3 GLU A 149 16.643 -13.014 -21.688 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.863 -14.397 -21.274 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.866 -13.677 -19.676 1.00 0.00 H new ATOM 141 N GLU A 150 16.837 -9.464 -20.820 1.00 0.00 N ATOM 142 CA GLU A 150 17.644 -8.354 -21.299 1.00 0.00 C ATOM 143 C GLU A 150 18.548 -7.842 -20.180 1.00 0.00 C ATOM 144 O GLU A 150 19.749 -7.681 -20.380 1.00 0.00 O ATOM 145 CB GLU A 150 16.719 -7.246 -21.811 1.00 0.00 C ATOM 146 CG GLU A 150 17.542 -6.175 -22.531 1.00 0.00 C ATOM 147 CD GLU A 150 16.630 -5.156 -23.200 1.00 0.00 C ATOM 148 OE1 GLU A 150 16.061 -5.512 -24.254 1.00 0.00 O ATOM 149 OE2 GLU A 150 16.519 -4.042 -22.645 1.00 0.00 O ATOM 0 H GLU A 150 15.835 -9.274 -20.801 1.00 0.00 H new ATOM 0 HA GLU A 150 18.282 -8.686 -22.118 1.00 0.00 H new ATOM 0 HB2 GLU A 150 15.976 -7.665 -22.490 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.174 -6.801 -20.978 1.00 0.00 H new ATOM 0 HG2 GLU A 150 18.197 -5.672 -21.819 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.183 -6.643 -23.278 1.00 0.00 H new ATOM 156 N GLU A 151 17.968 -7.586 -19.006 1.00 0.00 N ATOM 157 CA GLU A 151 18.717 -7.076 -17.870 1.00 0.00 C ATOM 158 C GLU A 151 19.753 -8.109 -17.411 1.00 0.00 C ATOM 159 O GLU A 151 20.897 -7.758 -17.137 1.00 0.00 O ATOM 160 CB GLU A 151 17.737 -6.733 -16.745 1.00 0.00 C ATOM 161 CG GLU A 151 18.403 -5.791 -15.740 1.00 0.00 C ATOM 162 CD GLU A 151 17.442 -5.415 -14.616 1.00 0.00 C ATOM 163 OE1 GLU A 151 16.312 -5.957 -14.619 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.851 -4.594 -13.768 1.00 0.00 O ATOM 0 H GLU A 151 16.975 -7.727 -18.823 1.00 0.00 H new ATOM 0 HA GLU A 151 19.258 -6.174 -18.155 1.00 0.00 H new ATOM 0 HB2 GLU A 151 16.845 -6.264 -17.159 1.00 0.00 H new ATOM 0 HB3 GLU A 151 17.414 -7.645 -16.242 1.00 0.00 H new ATOM 0 HG2 GLU A 151 19.288 -6.269 -15.321 1.00 0.00 H new ATOM 0 HG3 GLU A 151 18.740 -4.889 -16.251 1.00 0.00 H new ATOM 171 N ASP A 152 19.348 -9.382 -17.329 1.00 0.00 N ATOM 172 CA ASP A 152 20.232 -10.458 -16.894 1.00 0.00 C ATOM 173 C ASP A 152 21.480 -10.515 -17.773 1.00 0.00 C ATOM 174 O ASP A 152 22.581 -10.738 -17.270 1.00 0.00 O ATOM 175 CB ASP A 152 19.478 -11.793 -16.946 1.00 0.00 C ATOM 176 CG ASP A 152 18.347 -11.836 -15.920 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.436 -11.067 -14.940 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.416 -12.641 -16.137 1.00 0.00 O ATOM 0 H ASP A 152 18.404 -9.689 -17.562 1.00 0.00 H new ATOM 0 HA ASP A 152 20.549 -10.266 -15.869 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.070 -11.943 -17.946 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.172 -12.612 -16.759 1.00 0.00 H new ATOM 183 N ARG A 153 21.315 -10.312 -19.086 1.00 0.00 N ATOM 184 CA ARG A 153 22.440 -10.336 -20.011 1.00 0.00 C ATOM 185 C ARG A 153 23.470 -9.269 -19.622 1.00 0.00 C ATOM 186 O ARG A 153 24.666 -9.471 -19.823 1.00 0.00 O ATOM 187 CB ARG A 153 21.938 -10.130 -21.443 1.00 0.00 C ATOM 188 CG ARG A 153 21.544 -11.485 -22.041 1.00 0.00 C ATOM 189 CD ARG A 153 20.853 -11.280 -23.391 1.00 0.00 C ATOM 190 NE ARG A 153 19.456 -10.867 -23.209 1.00 0.00 N ATOM 191 CZ ARG A 153 18.630 -10.603 -24.238 1.00 0.00 C ATOM 192 NH1 ARG A 153 19.085 -10.663 -25.497 1.00 0.00 N ATOM 193 NH2 ARG A 153 17.352 -10.279 -24.005 1.00 0.00 N ATOM 0 H ARG A 153 20.412 -10.130 -19.525 1.00 0.00 H new ATOM 0 HA ARG A 153 22.931 -11.308 -19.958 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.082 -9.455 -21.447 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.715 -9.664 -22.049 1.00 0.00 H new ATOM 0 HG2 ARG A 153 22.430 -12.107 -22.167 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.878 -12.013 -21.359 1.00 0.00 H new ATOM 0 HD2 ARG A 153 21.388 -10.524 -23.966 1.00 0.00 H new ATOM 0 HD3 ARG A 153 20.891 -12.205 -23.967 1.00 0.00 H new ATOM 0 HE ARG A 153 19.095 -10.776 -22.259 1.00 0.00 H new ATOM 0 HH11 ARG A 153 20.059 -10.909 -25.676 1.00 0.00 H new ATOM 0 HH12 ARG A 153 18.458 -10.463 -26.276 1.00 0.00 H new ATOM 0 HH21 ARG A 153 17.004 -10.232 -23.047 1.00 0.00 H new ATOM 0 HH22 ARG A 153 16.726 -10.079 -24.785 1.00 0.00 H new ATOM 207 N ILE A 154 23.016 -8.139 -19.055 1.00 0.00 N ATOM 208 CA ILE A 154 23.927 -7.087 -18.618 1.00 0.00 C ATOM 209 C ILE A 154 24.748 -7.602 -17.437 1.00 0.00 C ATOM 210 O ILE A 154 25.949 -7.343 -17.355 1.00 0.00 O ATOM 211 CB ILE A 154 23.145 -5.820 -18.220 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.182 -5.391 -19.345 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.131 -4.683 -17.918 1.00 0.00 C ATOM 214 CD1 ILE A 154 22.913 -5.281 -20.690 1.00 0.00 C ATOM 0 H ILE A 154 22.029 -7.938 -18.893 1.00 0.00 H new ATOM 0 HA ILE A 154 24.594 -6.822 -19.439 1.00 0.00 H new ATOM 0 HB ILE A 154 22.555 -6.041 -17.331 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.370 -6.114 -19.427 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.730 -4.431 -19.094 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.578 -3.787 -17.637 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.786 -4.978 -17.098 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.730 -4.476 -18.805 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.208 -4.977 -21.464 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.708 -4.540 -20.612 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.343 -6.248 -20.951 1.00 0.00 H new ATOM 226 N ILE A 155 24.099 -8.342 -16.524 1.00 0.00 N ATOM 227 CA ILE A 155 24.782 -8.901 -15.366 1.00 0.00 C ATOM 228 C ILE A 155 25.855 -9.870 -15.849 1.00 0.00 C ATOM 229 O ILE A 155 26.970 -9.845 -15.354 1.00 0.00 O ATOM 230 CB ILE A 155 23.792 -9.625 -14.433 1.00 0.00 C ATOM 231 CG1 ILE A 155 22.578 -8.733 -14.133 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.503 -9.975 -13.117 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.568 -9.508 -13.285 1.00 0.00 C ATOM 0 H ILE A 155 23.104 -8.562 -16.573 1.00 0.00 H new ATOM 0 HA ILE A 155 25.239 -8.091 -14.797 1.00 0.00 H new ATOM 0 HB ILE A 155 23.444 -10.533 -14.926 1.00 0.00 H new ATOM 0 HG12 ILE A 155 22.896 -7.834 -13.606 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.113 -8.409 -15.064 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.807 -10.488 -12.453 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.353 -10.625 -13.324 1.00 0.00 H new ATOM 0 HG23 ILE A 155 24.854 -9.061 -12.639 1.00 0.00 H new ATOM 0 HD11 ILE A 155 20.708 -8.873 -13.073 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.240 -10.394 -13.829 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.035 -9.810 -12.348 1.00 0.00 H new ATOM 245 N TYR A 156 25.509 -10.725 -16.825 1.00 0.00 N ATOM 246 CA TYR A 156 26.447 -11.697 -17.370 1.00 0.00 C ATOM 247 C TYR A 156 27.628 -10.983 -18.022 1.00 0.00 C ATOM 248 O TYR A 156 28.778 -11.350 -17.792 1.00 0.00 O ATOM 249 CB TYR A 156 25.730 -12.594 -18.384 1.00 0.00 C ATOM 250 CG TYR A 156 26.622 -13.681 -18.950 1.00 0.00 C ATOM 251 CD1 TYR A 156 27.409 -13.425 -20.089 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.674 -14.944 -18.332 1.00 0.00 C ATOM 253 CE1 TYR A 156 28.246 -14.429 -20.605 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.512 -15.947 -18.849 1.00 0.00 C ATOM 255 CZ TYR A 156 28.299 -15.689 -19.985 1.00 0.00 C ATOM 256 OH TYR A 156 29.115 -16.660 -20.486 1.00 0.00 O ATOM 0 H TYR A 156 24.582 -10.756 -17.248 1.00 0.00 H new ATOM 0 HA TYR A 156 26.830 -12.319 -16.561 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.865 -13.054 -17.906 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.353 -11.979 -19.201 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.369 -12.457 -20.566 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.069 -15.143 -17.459 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.849 -14.232 -21.479 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.551 -16.916 -18.374 1.00 0.00 H new ATOM 0 HH TYR A 156 29.034 -17.470 -19.940 1.00 0.00 H new ATOM 266 N GLN A 157 27.342 -9.964 -18.836 1.00 0.00 N ATOM 267 CA GLN A 157 28.375 -9.204 -19.521 1.00 0.00 C ATOM 268 C GLN A 157 29.357 -8.617 -18.505 1.00 0.00 C ATOM 269 O GLN A 157 30.571 -8.744 -18.667 1.00 0.00 O ATOM 270 CB GLN A 157 27.710 -8.097 -20.346 1.00 0.00 C ATOM 271 CG GLN A 157 28.772 -7.286 -21.094 1.00 0.00 C ATOM 272 CD GLN A 157 28.122 -6.300 -22.058 1.00 0.00 C ATOM 273 OE1 GLN A 157 28.388 -6.335 -23.256 1.00 0.00 O ATOM 274 NE2 GLN A 157 27.269 -5.419 -21.533 1.00 0.00 N ATOM 0 H GLN A 157 26.392 -9.649 -19.034 1.00 0.00 H new ATOM 0 HA GLN A 157 28.937 -9.857 -20.189 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.008 -8.534 -21.056 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.135 -7.441 -19.692 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.394 -6.747 -20.380 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.429 -7.959 -21.644 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.079 -5.428 -20.531 1.00 0.00 H new ATOM 0 HE22 GLN A 157 26.807 -4.736 -22.134 1.00 0.00 H new ATOM 283 N ALA A 158 28.828 -7.972 -17.461 1.00 0.00 N ATOM 284 CA ALA A 158 29.651 -7.351 -16.434 1.00 0.00 C ATOM 285 C ALA A 158 30.345 -8.418 -15.577 1.00 0.00 C ATOM 286 O ALA A 158 31.482 -8.225 -15.146 1.00 0.00 O ATOM 287 CB ALA A 158 28.769 -6.451 -15.574 1.00 0.00 C ATOM 0 H ALA A 158 27.825 -7.869 -17.310 1.00 0.00 H new ATOM 0 HA ALA A 158 30.431 -6.751 -16.904 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.375 -5.980 -14.800 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.316 -5.681 -16.199 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.985 -7.048 -15.108 1.00 0.00 H new ATOM 293 N HIS A 159 29.664 -9.542 -15.331 1.00 0.00 N ATOM 294 CA HIS A 159 30.222 -10.627 -14.538 1.00 0.00 C ATOM 295 C HIS A 159 31.417 -11.233 -15.271 1.00 0.00 C ATOM 296 O HIS A 159 32.395 -11.620 -14.650 1.00 0.00 O ATOM 297 CB HIS A 159 29.141 -11.682 -14.280 1.00 0.00 C ATOM 298 CG HIS A 159 29.646 -12.847 -13.472 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.245 -13.958 -14.051 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.654 -13.103 -12.126 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.569 -14.792 -13.044 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.234 -14.330 -11.841 1.00 0.00 N ATOM 0 H HIS A 159 28.720 -9.719 -15.675 1.00 0.00 H new ATOM 0 HA HIS A 159 30.566 -10.246 -13.577 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.304 -11.218 -13.757 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.759 -12.045 -15.234 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.257 -12.432 -11.379 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.054 -15.745 -13.198 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.371 -14.771 -10.931 1.00 0.00 H new ATOM 310 N LYS A 160 31.336 -11.304 -16.599 1.00 0.00 N ATOM 311 CA LYS A 160 32.420 -11.829 -17.411 1.00 0.00 C ATOM 312 C LYS A 160 33.595 -10.838 -17.428 1.00 0.00 C ATOM 313 O LYS A 160 34.700 -11.198 -17.827 1.00 0.00 O ATOM 314 CB LYS A 160 31.886 -12.086 -18.827 1.00 0.00 C ATOM 315 CG LYS A 160 33.004 -12.616 -19.734 1.00 0.00 C ATOM 316 CD LYS A 160 32.402 -13.333 -20.951 1.00 0.00 C ATOM 317 CE LYS A 160 31.435 -12.408 -21.705 1.00 0.00 C ATOM 318 NZ LYS A 160 32.091 -11.148 -22.101 1.00 0.00 N ATOM 0 H LYS A 160 30.522 -11.001 -17.134 1.00 0.00 H new ATOM 0 HA LYS A 160 32.788 -12.766 -16.993 1.00 0.00 H new ATOM 0 HB2 LYS A 160 31.068 -12.806 -18.789 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.479 -11.164 -19.242 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.636 -11.792 -20.064 1.00 0.00 H new ATOM 0 HG3 LYS A 160 33.641 -13.303 -19.176 1.00 0.00 H new ATOM 0 HD2 LYS A 160 33.200 -13.656 -21.620 1.00 0.00 H new ATOM 0 HD3 LYS A 160 31.875 -14.230 -20.626 1.00 0.00 H new ATOM 0 HE2 LYS A 160 31.059 -12.918 -22.592 1.00 0.00 H new ATOM 0 HE3 LYS A 160 30.574 -12.188 -21.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 31.493 -10.646 -22.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 32.230 -10.550 -21.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 33.013 -11.358 -22.533 1.00 0.00 H new ATOM 332 N ARG A 161 33.350 -9.588 -17.000 1.00 0.00 N ATOM 333 CA ARG A 161 34.368 -8.549 -17.005 1.00 0.00 C ATOM 334 C ARG A 161 35.145 -8.529 -15.682 1.00 0.00 C ATOM 335 O ARG A 161 36.373 -8.570 -15.698 1.00 0.00 O ATOM 336 CB ARG A 161 33.687 -7.197 -17.260 1.00 0.00 C ATOM 337 CG ARG A 161 34.738 -6.096 -17.442 1.00 0.00 C ATOM 338 CD ARG A 161 34.050 -4.807 -17.907 1.00 0.00 C ATOM 339 NE ARG A 161 32.940 -4.443 -17.008 1.00 0.00 N ATOM 340 CZ ARG A 161 33.099 -3.740 -15.868 1.00 0.00 C ATOM 341 NH1 ARG A 161 34.287 -3.204 -15.557 1.00 0.00 N ATOM 342 NH2 ARG A 161 32.059 -3.579 -15.041 1.00 0.00 N ATOM 0 H ARG A 161 32.444 -9.281 -16.645 1.00 0.00 H new ATOM 0 HA ARG A 161 35.089 -8.752 -17.797 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.060 -7.260 -18.149 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.032 -6.949 -16.425 1.00 0.00 H new ATOM 0 HG2 ARG A 161 35.265 -5.922 -16.504 1.00 0.00 H new ATOM 0 HG3 ARG A 161 35.484 -6.407 -18.173 1.00 0.00 H new ATOM 0 HD2 ARG A 161 34.776 -3.995 -17.940 1.00 0.00 H new ATOM 0 HD3 ARG A 161 33.672 -4.938 -18.921 1.00 0.00 H new ATOM 0 HE ARG A 161 31.998 -4.740 -17.263 1.00 0.00 H new ATOM 0 HH11 ARG A 161 35.082 -3.326 -16.185 1.00 0.00 H new ATOM 0 HH12 ARG A 161 34.397 -2.674 -14.692 1.00 0.00 H new ATOM 0 HH21 ARG A 161 31.154 -3.987 -15.275 1.00 0.00 H new ATOM 0 HH22 ARG A 161 32.172 -3.049 -14.177 1.00 0.00 H new ATOM 356 N LEU A 162 34.435 -8.446 -14.539 1.00 0.00 N ATOM 357 CA LEU A 162 35.088 -8.339 -13.227 1.00 0.00 C ATOM 358 C LEU A 162 34.878 -9.588 -12.363 1.00 0.00 C ATOM 359 O LEU A 162 35.477 -9.690 -11.293 1.00 0.00 O ATOM 360 CB LEU A 162 34.537 -7.116 -12.488 1.00 0.00 C ATOM 361 CG LEU A 162 34.795 -5.827 -13.277 1.00 0.00 C ATOM 362 CD1 LEU A 162 34.220 -4.653 -12.489 1.00 0.00 C ATOM 363 CD2 LEU A 162 36.299 -5.612 -13.479 1.00 0.00 C ATOM 0 H LEU A 162 33.416 -8.451 -14.502 1.00 0.00 H new ATOM 0 HA LEU A 162 36.159 -8.238 -13.401 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.466 -7.238 -12.326 1.00 0.00 H new ATOM 0 HB3 LEU A 162 35.002 -7.042 -11.505 1.00 0.00 H new ATOM 0 HG LEU A 162 34.320 -5.902 -14.255 1.00 0.00 H new ATOM 0 HD11 LEU A 162 34.395 -3.727 -13.036 1.00 0.00 H new ATOM 0 HD12 LEU A 162 33.148 -4.797 -12.352 1.00 0.00 H new ATOM 0 HD13 LEU A 162 34.706 -4.596 -11.515 1.00 0.00 H new ATOM 0 HD21 LEU A 162 36.463 -4.692 -14.041 1.00 0.00 H new ATOM 0 HD22 LEU A 162 36.789 -5.536 -12.508 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.716 -6.454 -14.032 1.00 0.00 H new ATOM 375 N GLY A 163 34.040 -10.530 -12.799 1.00 0.00 N ATOM 376 CA GLY A 163 33.777 -11.737 -12.025 1.00 0.00 C ATOM 377 C GLY A 163 32.616 -11.497 -11.064 1.00 0.00 C ATOM 378 O GLY A 163 31.630 -10.861 -11.427 1.00 0.00 O ATOM 0 H GLY A 163 33.534 -10.477 -13.683 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.541 -12.564 -12.694 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.669 -12.023 -11.467 1.00 0.00 H new ATOM 382 N ASN A 164 32.734 -12.007 -9.830 1.00 0.00 N ATOM 383 CA ASN A 164 31.684 -11.864 -8.822 1.00 0.00 C ATOM 384 C ASN A 164 31.859 -10.556 -8.042 1.00 0.00 C ATOM 385 O ASN A 164 31.458 -10.472 -6.883 1.00 0.00 O ATOM 386 CB ASN A 164 31.730 -13.059 -7.859 1.00 0.00 C ATOM 387 CG ASN A 164 31.768 -14.386 -8.611 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.727 -14.950 -8.936 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.975 -14.888 -8.885 1.00 0.00 N ATOM 0 H ASN A 164 33.552 -12.524 -9.509 1.00 0.00 H new ATOM 0 HA ASN A 164 30.717 -11.838 -9.323 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.609 -12.978 -7.219 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.857 -13.035 -7.207 1.00 0.00 H new ATOM 0 HD21 ASN A 164 33.058 -15.774 -9.383 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.814 -14.385 -8.596 1.00 0.00 H new ATOM 396 N ARG A 165 32.456 -9.535 -8.671 1.00 0.00 N ATOM 397 CA ARG A 165 32.682 -8.255 -8.016 1.00 0.00 C ATOM 398 C ARG A 165 31.440 -7.377 -8.162 1.00 0.00 C ATOM 399 O ARG A 165 31.467 -6.354 -8.850 1.00 0.00 O ATOM 400 CB ARG A 165 33.918 -7.584 -8.623 1.00 0.00 C ATOM 401 CG ARG A 165 35.174 -8.364 -8.216 1.00 0.00 C ATOM 402 CD ARG A 165 36.422 -7.663 -8.760 1.00 0.00 C ATOM 403 NE ARG A 165 37.646 -8.250 -8.194 1.00 0.00 N ATOM 404 CZ ARG A 165 38.174 -9.419 -8.609 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.605 -10.108 -9.608 1.00 0.00 N ATOM 406 NH2 ARG A 165 39.277 -9.896 -8.018 1.00 0.00 N ATOM 0 H ARG A 165 32.789 -9.578 -9.634 1.00 0.00 H new ATOM 0 HA ARG A 165 32.864 -8.406 -6.952 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.832 -7.553 -9.709 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.990 -6.552 -8.280 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.231 -8.437 -7.130 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.121 -9.382 -8.601 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.444 -7.744 -9.847 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.380 -6.600 -8.521 1.00 0.00 H new ATOM 0 HE ARG A 165 38.122 -7.745 -7.446 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.765 -9.749 -10.061 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.012 -10.991 -9.915 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.714 -9.375 -7.257 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.680 -10.780 -8.328 1.00 0.00 H new ATOM 420 N TRP A 166 30.348 -7.784 -7.502 1.00 0.00 N ATOM 421 CA TRP A 166 29.092 -7.043 -7.542 1.00 0.00 C ATOM 422 C TRP A 166 29.302 -5.630 -6.999 1.00 0.00 C ATOM 423 O TRP A 166 28.569 -4.717 -7.357 1.00 0.00 O ATOM 424 CB TRP A 166 28.024 -7.779 -6.728 1.00 0.00 C ATOM 425 CG TRP A 166 28.141 -9.269 -6.744 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.626 -10.012 -5.743 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.794 -10.219 -7.798 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.618 -11.346 -6.065 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.111 -11.537 -7.336 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.246 -10.112 -9.098 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.902 -12.675 -8.117 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.031 -11.263 -9.889 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.364 -12.538 -9.400 1.00 0.00 C ATOM 0 H TRP A 166 30.315 -8.629 -6.932 1.00 0.00 H new ATOM 0 HA TRP A 166 28.752 -6.971 -8.575 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.074 -7.436 -5.695 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.041 -7.501 -7.109 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.978 -9.614 -4.803 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.942 -12.093 -5.451 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.989 -9.139 -9.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.154 -13.653 -7.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.607 -11.162 -10.877 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.204 -13.411 -10.015 1.00 0.00 H new ATOM 444 N ALA A 167 30.315 -5.459 -6.133 1.00 0.00 N ATOM 445 CA ALA A 167 30.632 -4.166 -5.545 1.00 0.00 C ATOM 446 C ALA A 167 30.844 -3.105 -6.631 1.00 0.00 C ATOM 447 O ALA A 167 30.712 -1.916 -6.353 1.00 0.00 O ATOM 448 CB ALA A 167 31.885 -4.305 -4.680 1.00 0.00 C ATOM 0 H ALA A 167 30.929 -6.215 -5.828 1.00 0.00 H new ATOM 0 HA ALA A 167 29.795 -3.841 -4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 167 32.129 -3.340 -4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.702 -5.033 -3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.718 -4.641 -5.297 1.00 0.00 H new ATOM 454 N GLU A 168 31.168 -3.534 -7.862 1.00 0.00 N ATOM 455 CA GLU A 168 31.364 -2.623 -8.982 1.00 0.00 C ATOM 456 C GLU A 168 30.168 -2.728 -9.931 1.00 0.00 C ATOM 457 O GLU A 168 29.559 -1.720 -10.280 1.00 0.00 O ATOM 458 CB GLU A 168 32.674 -2.987 -9.698 1.00 0.00 C ATOM 459 CG GLU A 168 33.181 -1.798 -10.530 1.00 0.00 C ATOM 460 CD GLU A 168 32.298 -1.536 -11.748 1.00 0.00 C ATOM 461 OE1 GLU A 168 32.110 -2.491 -12.536 1.00 0.00 O ATOM 462 OE2 GLU A 168 31.829 -0.387 -11.872 1.00 0.00 O ATOM 0 H GLU A 168 31.299 -4.517 -8.099 1.00 0.00 H new ATOM 0 HA GLU A 168 31.434 -1.593 -8.631 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.428 -3.274 -8.965 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.514 -3.849 -10.345 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.212 -0.905 -9.906 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.202 -1.993 -10.857 1.00 0.00 H new ATOM 469 N ILE A 169 29.841 -3.960 -10.344 1.00 0.00 N ATOM 470 CA ILE A 169 28.748 -4.218 -11.280 1.00 0.00 C ATOM 471 C ILE A 169 27.468 -3.515 -10.821 1.00 0.00 C ATOM 472 O ILE A 169 26.806 -2.844 -11.610 1.00 0.00 O ATOM 473 CB ILE A 169 28.503 -5.736 -11.376 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.788 -6.465 -11.818 1.00 0.00 C ATOM 475 CG2 ILE A 169 27.380 -6.008 -12.384 1.00 0.00 C ATOM 476 CD1 ILE A 169 29.644 -7.972 -11.573 1.00 0.00 C ATOM 0 H ILE A 169 30.328 -4.802 -10.037 1.00 0.00 H new ATOM 0 HA ILE A 169 29.024 -3.828 -12.260 1.00 0.00 H new ATOM 0 HB ILE A 169 28.213 -6.109 -10.394 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.979 -6.276 -12.874 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.644 -6.078 -11.266 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.205 -7.082 -12.453 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.467 -5.512 -12.054 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.668 -5.624 -13.362 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.555 -8.480 -11.888 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.475 -8.154 -10.512 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.799 -8.355 -12.146 1.00 0.00 H new ATOM 488 N ALA A 170 27.121 -3.687 -9.545 1.00 0.00 N ATOM 489 CA ALA A 170 25.906 -3.129 -8.978 1.00 0.00 C ATOM 490 C ALA A 170 25.860 -1.610 -9.130 1.00 0.00 C ATOM 491 O ALA A 170 24.791 -1.049 -9.339 1.00 0.00 O ATOM 492 CB ALA A 170 25.831 -3.517 -7.506 1.00 0.00 C ATOM 0 H ALA A 170 27.680 -4.220 -8.879 1.00 0.00 H new ATOM 0 HA ALA A 170 25.048 -3.532 -9.517 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.923 -3.104 -7.067 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.816 -4.603 -7.416 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.700 -3.121 -6.981 1.00 0.00 H new ATOM 498 N LYS A 171 27.011 -0.943 -9.019 1.00 0.00 N ATOM 499 CA LYS A 171 27.062 0.511 -9.116 1.00 0.00 C ATOM 500 C LYS A 171 26.671 0.965 -10.526 1.00 0.00 C ATOM 501 O LYS A 171 26.167 2.074 -10.697 1.00 0.00 O ATOM 502 CB LYS A 171 28.461 1.009 -8.737 1.00 0.00 C ATOM 503 CG LYS A 171 28.881 0.433 -7.373 1.00 0.00 C ATOM 504 CD LYS A 171 27.803 0.722 -6.314 1.00 0.00 C ATOM 505 CE LYS A 171 28.352 0.448 -4.909 1.00 0.00 C ATOM 506 NZ LYS A 171 28.704 -0.975 -4.734 1.00 0.00 N ATOM 0 H LYS A 171 27.915 -1.388 -8.862 1.00 0.00 H new ATOM 0 HA LYS A 171 26.345 0.944 -8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.179 0.713 -9.501 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.468 2.098 -8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.037 -0.642 -7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.830 0.870 -7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 171 27.478 1.760 -6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 171 26.927 0.100 -6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 171 29.233 1.066 -4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 171 27.609 0.734 -4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 29.135 -1.113 -3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 27.845 -1.557 -4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 29.380 -1.259 -5.471 1.00 0.00 H new ATOM 520 N LEU A 172 26.888 0.107 -11.534 1.00 0.00 N ATOM 521 CA LEU A 172 26.511 0.422 -12.906 1.00 0.00 C ATOM 522 C LEU A 172 24.991 0.287 -13.071 1.00 0.00 C ATOM 523 O LEU A 172 24.438 0.731 -14.075 1.00 0.00 O ATOM 524 CB LEU A 172 27.242 -0.513 -13.881 1.00 0.00 C ATOM 525 CG LEU A 172 28.764 -0.453 -13.660 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.452 -1.400 -14.644 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.276 0.973 -13.887 1.00 0.00 C ATOM 0 H LEU A 172 27.323 -0.808 -11.417 1.00 0.00 H new ATOM 0 HA LEU A 172 26.799 1.449 -13.130 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.890 -1.536 -13.744 1.00 0.00 H new ATOM 0 HB3 LEU A 172 27.008 -0.230 -14.907 1.00 0.00 H new ATOM 0 HG LEU A 172 28.988 -0.751 -12.636 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.531 -1.362 -14.492 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.098 -2.417 -14.478 1.00 0.00 H new ATOM 0 HD13 LEU A 172 29.218 -1.097 -15.665 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.354 1.002 -13.728 1.00 0.00 H new ATOM 0 HD22 LEU A 172 29.052 1.282 -14.908 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.787 1.651 -13.187 1.00 0.00 H new ATOM 539 N LEU A 173 24.323 -0.327 -12.076 1.00 0.00 N ATOM 540 CA LEU A 173 22.877 -0.517 -12.088 1.00 0.00 C ATOM 541 C LEU A 173 22.282 0.101 -10.814 1.00 0.00 C ATOM 542 O LEU A 173 22.005 -0.620 -9.859 1.00 0.00 O ATOM 543 CB LEU A 173 22.565 -2.022 -12.149 1.00 0.00 C ATOM 544 CG LEU A 173 23.077 -2.635 -13.464 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.988 -4.160 -13.376 1.00 0.00 C ATOM 546 CD2 LEU A 173 22.226 -2.147 -14.642 1.00 0.00 C ATOM 0 H LEU A 173 24.780 -0.702 -11.245 1.00 0.00 H new ATOM 0 HA LEU A 173 22.439 -0.030 -12.959 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.028 -2.528 -11.302 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.490 -2.178 -12.064 1.00 0.00 H new ATOM 0 HG LEU A 173 24.111 -2.329 -13.621 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.350 -4.600 -14.305 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.600 -4.513 -12.546 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.951 -4.455 -13.214 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.598 -2.588 -15.567 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.189 -2.445 -14.490 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.285 -1.061 -14.708 1.00 0.00 H new ATOM 558 N PRO A 174 22.086 1.438 -10.791 1.00 0.00 N ATOM 559 CA PRO A 174 21.559 2.139 -9.629 1.00 0.00 C ATOM 560 C PRO A 174 20.198 1.582 -9.196 1.00 0.00 C ATOM 561 O PRO A 174 19.885 1.578 -8.008 1.00 0.00 O ATOM 562 CB PRO A 174 21.451 3.611 -10.040 1.00 0.00 C ATOM 563 CG PRO A 174 22.015 3.723 -11.462 1.00 0.00 C ATOM 564 CD PRO A 174 22.389 2.310 -11.908 1.00 0.00 C ATOM 0 HA PRO A 174 22.214 2.012 -8.767 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.414 3.945 -10.009 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.010 4.245 -9.352 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.277 4.157 -12.136 1.00 0.00 H new ATOM 0 HG3 PRO A 174 22.887 4.377 -11.480 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.823 2.019 -12.793 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.445 2.252 -12.171 1.00 0.00 H new ATOM 572 N GLY A 175 19.391 1.117 -10.158 1.00 0.00 N ATOM 573 CA GLY A 175 18.072 0.568 -9.866 1.00 0.00 C ATOM 574 C GLY A 175 18.179 -0.748 -9.083 1.00 0.00 C ATOM 575 O GLY A 175 17.184 -1.216 -8.531 1.00 0.00 O ATOM 0 H GLY A 175 19.635 1.113 -11.148 1.00 0.00 H new ATOM 0 HA2 GLY A 175 17.494 1.291 -9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.532 0.397 -10.797 1.00 0.00 H new ATOM 579 N ARG A 176 19.382 -1.340 -9.044 1.00 0.00 N ATOM 580 CA ARG A 176 19.623 -2.598 -8.348 1.00 0.00 C ATOM 581 C ARG A 176 20.657 -2.375 -7.240 1.00 0.00 C ATOM 582 O ARG A 176 21.170 -1.268 -7.084 1.00 0.00 O ATOM 583 CB ARG A 176 20.126 -3.639 -9.359 1.00 0.00 C ATOM 584 CG ARG A 176 19.127 -3.795 -10.520 1.00 0.00 C ATOM 585 CD ARG A 176 17.837 -4.459 -10.025 1.00 0.00 C ATOM 586 NE ARG A 176 17.070 -5.011 -11.151 1.00 0.00 N ATOM 587 CZ ARG A 176 16.019 -5.834 -10.994 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.579 -6.143 -9.768 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.408 -6.351 -12.064 1.00 0.00 N ATOM 0 H ARG A 176 20.211 -0.954 -9.496 1.00 0.00 H new ATOM 0 HA ARG A 176 18.701 -2.962 -7.894 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.098 -3.336 -9.747 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.266 -4.599 -8.862 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.901 -2.818 -10.948 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.572 -4.395 -11.314 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.079 -5.254 -9.319 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.230 -3.730 -9.488 1.00 0.00 H new ATOM 0 HE ARG A 176 17.349 -4.757 -12.099 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.042 -5.753 -8.947 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.781 -6.768 -9.655 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.739 -6.121 -13.001 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.611 -6.975 -11.944 1.00 0.00 H new ATOM 603 N THR A 177 20.962 -3.432 -6.469 1.00 0.00 N ATOM 604 CA THR A 177 21.935 -3.349 -5.383 1.00 0.00 C ATOM 605 C THR A 177 22.810 -4.603 -5.375 1.00 0.00 C ATOM 606 O THR A 177 22.403 -5.651 -5.875 1.00 0.00 O ATOM 607 CB THR A 177 21.208 -3.186 -4.041 1.00 0.00 C ATOM 608 OG1 THR A 177 20.231 -4.195 -3.900 1.00 0.00 O ATOM 609 CG2 THR A 177 20.531 -1.815 -3.976 1.00 0.00 C ATOM 0 H THR A 177 20.543 -4.355 -6.584 1.00 0.00 H new ATOM 0 HA THR A 177 22.575 -2.480 -5.536 1.00 0.00 H new ATOM 0 HB THR A 177 21.936 -3.268 -3.234 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.771 -4.087 -3.041 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.017 -1.708 -3.021 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.284 -1.033 -4.073 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.809 -1.727 -4.788 1.00 0.00 H new ATOM 617 N ASP A 178 24.017 -4.479 -4.805 1.00 0.00 N ATOM 618 CA ASP A 178 24.987 -5.566 -4.735 1.00 0.00 C ATOM 619 C ASP A 178 24.345 -6.847 -4.198 1.00 0.00 C ATOM 620 O ASP A 178 24.419 -7.896 -4.838 1.00 0.00 O ATOM 621 CB ASP A 178 26.161 -5.134 -3.836 1.00 0.00 C ATOM 622 CG ASP A 178 26.497 -3.653 -4.020 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.727 -2.824 -3.486 1.00 0.00 O ATOM 624 OD2 ASP A 178 27.510 -3.372 -4.688 1.00 0.00 O ATOM 0 H ASP A 178 24.344 -3.612 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 178 25.352 -5.780 -5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 178 25.910 -5.324 -2.792 1.00 0.00 H new ATOM 0 HB3 ASP A 178 27.038 -5.738 -4.067 1.00 0.00 H new ATOM 629 N ASN A 179 23.722 -6.760 -3.018 1.00 0.00 N ATOM 630 CA ASN A 179 23.104 -7.914 -2.378 1.00 0.00 C ATOM 631 C ASN A 179 22.014 -8.517 -3.271 1.00 0.00 C ATOM 632 O ASN A 179 21.940 -9.736 -3.414 1.00 0.00 O ATOM 633 CB ASN A 179 22.533 -7.504 -1.011 1.00 0.00 C ATOM 634 CG ASN A 179 21.392 -6.498 -1.152 1.00 0.00 C ATOM 635 OD1 ASN A 179 20.230 -6.884 -1.238 1.00 0.00 O ATOM 636 ND2 ASN A 179 21.723 -5.207 -1.176 1.00 0.00 N ATOM 0 H ASN A 179 23.635 -5.893 -2.488 1.00 0.00 H new ATOM 0 HA ASN A 179 23.863 -8.681 -2.225 1.00 0.00 H new ATOM 0 HB2 ASN A 179 22.174 -8.390 -0.486 1.00 0.00 H new ATOM 0 HB3 ASN A 179 23.326 -7.071 -0.401 1.00 0.00 H new ATOM 0 HD21 ASN A 179 20.997 -4.496 -1.269 1.00 0.00 H new ATOM 0 HD22 ASN A 179 22.702 -4.930 -1.102 1.00 0.00 H new ATOM 643 N ALA A 180 21.168 -7.668 -3.867 1.00 0.00 N ATOM 644 CA ALA A 180 20.076 -8.132 -4.711 1.00 0.00 C ATOM 645 C ALA A 180 20.621 -8.915 -5.902 1.00 0.00 C ATOM 646 O ALA A 180 20.153 -10.016 -6.183 1.00 0.00 O ATOM 647 CB ALA A 180 19.249 -6.936 -5.185 1.00 0.00 C ATOM 0 H ALA A 180 21.225 -6.654 -3.776 1.00 0.00 H new ATOM 0 HA ALA A 180 19.435 -8.797 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.432 -7.286 -5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.841 -6.411 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.884 -6.258 -5.755 1.00 0.00 H new ATOM 653 N ILE A 181 21.610 -8.346 -6.601 1.00 0.00 N ATOM 654 CA ILE A 181 22.199 -8.991 -7.764 1.00 0.00 C ATOM 655 C ILE A 181 22.840 -10.315 -7.357 1.00 0.00 C ATOM 656 O ILE A 181 22.659 -11.320 -8.037 1.00 0.00 O ATOM 657 CB ILE A 181 23.238 -8.064 -8.409 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.544 -6.819 -8.973 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.937 -8.807 -9.551 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.531 -5.655 -9.032 1.00 0.00 C ATOM 0 H ILE A 181 22.015 -7.438 -6.375 1.00 0.00 H new ATOM 0 HA ILE A 181 21.416 -9.195 -8.495 1.00 0.00 H new ATOM 0 HB ILE A 181 23.968 -7.764 -7.657 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.156 -7.029 -9.970 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.691 -6.553 -8.348 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.676 -8.152 -10.012 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.433 -9.694 -9.158 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.200 -9.104 -10.297 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.031 -4.774 -9.434 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.898 -5.438 -8.029 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.370 -5.921 -9.676 1.00 0.00 H new ATOM 672 N LYS A 182 23.595 -10.314 -6.251 1.00 0.00 N ATOM 673 CA LYS A 182 24.263 -11.516 -5.779 1.00 0.00 C ATOM 674 C LYS A 182 23.240 -12.628 -5.543 1.00 0.00 C ATOM 675 O LYS A 182 23.399 -13.728 -6.061 1.00 0.00 O ATOM 676 CB LYS A 182 25.039 -11.203 -4.496 1.00 0.00 C ATOM 677 CG LYS A 182 25.822 -12.444 -4.055 1.00 0.00 C ATOM 678 CD LYS A 182 26.681 -12.107 -2.836 1.00 0.00 C ATOM 679 CE LYS A 182 27.405 -13.369 -2.356 1.00 0.00 C ATOM 680 NZ LYS A 182 28.196 -13.098 -1.143 1.00 0.00 N ATOM 0 H LYS A 182 23.754 -9.490 -5.672 1.00 0.00 H new ATOM 0 HA LYS A 182 24.968 -11.861 -6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.722 -10.371 -4.666 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.351 -10.895 -3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.133 -13.253 -3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.454 -12.796 -4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.406 -11.334 -3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 182 26.056 -11.707 -2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.677 -14.154 -2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 182 28.059 -13.739 -3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 28.676 -13.969 -0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.905 -12.365 -1.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.566 -12.768 -0.384 1.00 0.00 H new ATOM 694 N ASN A 183 22.192 -12.341 -4.759 1.00 0.00 N ATOM 695 CA ASN A 183 21.159 -13.327 -4.459 1.00 0.00 C ATOM 696 C ASN A 183 20.509 -13.817 -5.753 1.00 0.00 C ATOM 697 O ASN A 183 20.377 -15.023 -5.964 1.00 0.00 O ATOM 698 CB ASN A 183 20.108 -12.708 -3.529 1.00 0.00 C ATOM 699 CG ASN A 183 20.541 -12.809 -2.069 1.00 0.00 C ATOM 700 OD1 ASN A 183 20.190 -13.763 -1.382 1.00 0.00 O ATOM 701 ND2 ASN A 183 21.304 -11.826 -1.595 1.00 0.00 N ATOM 0 H ASN A 183 22.042 -11.431 -4.323 1.00 0.00 H new ATOM 0 HA ASN A 183 21.612 -14.182 -3.957 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.953 -11.662 -3.794 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.153 -13.216 -3.665 1.00 0.00 H new ATOM 0 HD21 ASN A 183 21.620 -11.848 -0.625 1.00 0.00 H new ATOM 0 HD22 ASN A 183 21.573 -11.051 -2.202 1.00 0.00 H new ATOM 708 N HIS A 184 20.104 -12.877 -6.617 1.00 0.00 N ATOM 709 CA HIS A 184 19.467 -13.208 -7.883 1.00 0.00 C ATOM 710 C HIS A 184 20.343 -14.170 -8.682 1.00 0.00 C ATOM 711 O HIS A 184 19.878 -15.226 -9.099 1.00 0.00 O ATOM 712 CB HIS A 184 19.222 -11.921 -8.679 1.00 0.00 C ATOM 713 CG HIS A 184 19.180 -12.160 -10.167 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.098 -12.754 -10.806 1.00 0.00 N ATOM 715 CD2 HIS A 184 20.087 -11.911 -11.165 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.412 -12.819 -12.117 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.616 -12.323 -12.400 1.00 0.00 N ATOM 0 H HIS A 184 20.211 -11.876 -6.453 1.00 0.00 H new ATOM 0 HA HIS A 184 18.513 -13.698 -7.689 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.281 -11.474 -8.360 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.009 -11.202 -8.452 1.00 0.00 H new ATOM 0 HD2 HIS A 184 21.051 -11.450 -11.007 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.751 -13.233 -12.864 1.00 0.00 H new ATOM 0 HE2 HIS A 184 20.079 -12.262 -13.307 1.00 0.00 H new ATOM 725 N TRP A 185 21.605 -13.798 -8.903 1.00 0.00 N ATOM 726 CA TRP A 185 22.521 -14.609 -9.679 1.00 0.00 C ATOM 727 C TRP A 185 22.694 -15.981 -9.033 1.00 0.00 C ATOM 728 O TRP A 185 22.553 -16.996 -9.698 1.00 0.00 O ATOM 729 CB TRP A 185 23.868 -13.891 -9.789 1.00 0.00 C ATOM 730 CG TRP A 185 24.891 -14.607 -10.619 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.626 -15.658 -10.221 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.311 -14.345 -11.990 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.472 -16.077 -11.218 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.324 -15.293 -12.344 1.00 0.00 C ATOM 735 CE3 TRP A 185 24.945 -13.406 -12.977 1.00 0.00 C ATOM 736 CZ2 TRP A 185 26.938 -15.300 -13.595 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.562 -13.410 -14.243 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.560 -14.353 -14.549 1.00 0.00 C ATOM 0 H TRP A 185 22.010 -12.932 -8.549 1.00 0.00 H new ATOM 0 HA TRP A 185 22.114 -14.756 -10.679 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.703 -12.901 -10.214 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.270 -13.745 -8.786 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.560 -16.114 -9.244 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.121 -16.860 -11.137 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.181 -12.674 -12.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.699 -16.031 -13.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.266 -12.683 -14.985 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.033 -14.345 -15.520 1.00 0.00 H new ATOM 749 N ASN A 186 23.010 -16.005 -7.737 1.00 0.00 N ATOM 750 CA ASN A 186 23.242 -17.251 -7.015 1.00 0.00 C ATOM 751 C ASN A 186 22.062 -18.213 -7.190 1.00 0.00 C ATOM 752 O ASN A 186 22.262 -19.426 -7.259 1.00 0.00 O ATOM 753 CB ASN A 186 23.457 -16.947 -5.522 1.00 0.00 C ATOM 754 CG ASN A 186 24.788 -16.232 -5.246 1.00 0.00 C ATOM 755 OD1 ASN A 186 25.566 -15.934 -6.291 1.00 0.00 O flip ATOM 756 ND2 ASN A 186 25.108 -15.954 -4.093 1.00 0.00 N flip ATOM 0 H ASN A 186 23.111 -15.167 -7.165 1.00 0.00 H new ATOM 0 HA ASN A 186 24.133 -17.729 -7.422 1.00 0.00 H new ATOM 0 HB2 ASN A 186 22.636 -16.329 -5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.427 -17.879 -4.958 1.00 0.00 H new ATOM 0 HD21 ASN A 186 24.489 -16.197 -3.319 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.993 -15.480 -3.909 1.00 0.00 H new ATOM 763 N SER A 187 20.838 -17.675 -7.250 1.00 0.00 N ATOM 764 CA SER A 187 19.639 -18.492 -7.366 1.00 0.00 C ATOM 765 C SER A 187 19.347 -18.864 -8.827 1.00 0.00 C ATOM 766 O SER A 187 19.298 -20.044 -9.166 1.00 0.00 O ATOM 767 CB SER A 187 18.461 -17.722 -6.761 1.00 0.00 C ATOM 768 OG SER A 187 17.298 -18.521 -6.802 1.00 0.00 O ATOM 0 H SER A 187 20.659 -16.671 -7.219 1.00 0.00 H new ATOM 0 HA SER A 187 19.793 -19.425 -6.824 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.686 -17.444 -5.731 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.297 -16.796 -7.313 1.00 0.00 H new ATOM 0 HG SER A 187 16.547 -18.026 -6.413 1.00 0.00 H new ATOM 774 N THR A 188 19.128 -17.857 -9.679 1.00 0.00 N ATOM 775 CA THR A 188 18.730 -18.075 -11.065 1.00 0.00 C ATOM 776 C THR A 188 19.919 -18.447 -11.955 1.00 0.00 C ATOM 777 O THR A 188 19.846 -19.424 -12.703 1.00 0.00 O ATOM 778 CB THR A 188 18.053 -16.799 -11.585 1.00 0.00 C ATOM 779 OG1 THR A 188 17.045 -16.399 -10.681 1.00 0.00 O ATOM 780 CG2 THR A 188 17.427 -17.061 -12.957 1.00 0.00 C ATOM 0 H THR A 188 19.222 -16.874 -9.424 1.00 0.00 H new ATOM 0 HA THR A 188 18.037 -18.915 -11.100 1.00 0.00 H new ATOM 0 HB THR A 188 18.801 -16.011 -11.676 1.00 0.00 H new ATOM 0 HG1 THR A 188 16.614 -15.583 -11.012 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.949 -16.151 -13.319 1.00 0.00 H new ATOM 0 HG22 THR A 188 18.203 -17.367 -13.659 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.683 -17.853 -12.872 1.00 0.00 H new ATOM 788 N MET A 189 21.001 -17.663 -11.898 1.00 0.00 N ATOM 789 CA MET A 189 22.155 -17.881 -12.761 1.00 0.00 C ATOM 790 C MET A 189 23.070 -18.956 -12.175 1.00 0.00 C ATOM 791 O MET A 189 22.908 -20.129 -12.490 1.00 0.00 O ATOM 792 CB MET A 189 22.905 -16.557 -12.954 1.00 0.00 C ATOM 793 CG MET A 189 22.042 -15.578 -13.761 1.00 0.00 C ATOM 794 SD MET A 189 21.855 -16.022 -15.508 1.00 0.00 S ATOM 795 CE MET A 189 23.514 -15.594 -16.093 1.00 0.00 C ATOM 0 H MET A 189 21.097 -16.872 -11.261 1.00 0.00 H new ATOM 0 HA MET A 189 21.816 -18.236 -13.734 1.00 0.00 H new ATOM 0 HB2 MET A 189 23.151 -16.124 -11.984 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.848 -16.736 -13.471 1.00 0.00 H new ATOM 0 HG2 MET A 189 21.054 -15.520 -13.304 1.00 0.00 H new ATOM 0 HG3 MET A 189 22.482 -14.583 -13.695 1.00 0.00 H new ATOM 0 HE1 MET A 189 23.635 -15.932 -17.122 1.00 0.00 H new ATOM 0 HE2 MET A 189 23.648 -14.513 -16.048 1.00 0.00 H new ATOM 0 HE3 MET A 189 24.259 -16.079 -15.462 1.00 0.00 H new ATOM 805 N ARG A 190 24.036 -18.546 -11.334 1.00 0.00 N ATOM 806 CA ARG A 190 25.016 -19.447 -10.723 1.00 0.00 C ATOM 807 C ARG A 190 26.089 -19.818 -11.751 1.00 0.00 C ATOM 808 O ARG A 190 27.277 -19.606 -11.504 1.00 0.00 O ATOM 809 CB ARG A 190 24.326 -20.701 -10.151 1.00 0.00 C ATOM 810 CG ARG A 190 25.269 -21.434 -9.188 1.00 0.00 C ATOM 811 CD ARG A 190 25.536 -20.580 -7.943 1.00 0.00 C ATOM 812 NE ARG A 190 25.793 -21.430 -6.771 1.00 0.00 N ATOM 813 CZ ARG A 190 24.816 -21.970 -6.013 1.00 0.00 C ATOM 814 NH1 ARG A 190 23.527 -21.679 -6.246 1.00 0.00 N ATOM 815 NH2 ARG A 190 25.136 -22.807 -5.017 1.00 0.00 N ATOM 0 H ARG A 190 24.155 -17.571 -11.060 1.00 0.00 H new ATOM 0 HA ARG A 190 25.499 -18.935 -9.890 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.412 -20.416 -9.630 1.00 0.00 H new ATOM 0 HB3 ARG A 190 24.035 -21.367 -10.963 1.00 0.00 H new ATOM 0 HG2 ARG A 190 24.829 -22.387 -8.895 1.00 0.00 H new ATOM 0 HG3 ARG A 190 26.210 -21.658 -9.691 1.00 0.00 H new ATOM 0 HD2 ARG A 190 26.392 -19.929 -8.120 1.00 0.00 H new ATOM 0 HD3 ARG A 190 24.679 -19.935 -7.749 1.00 0.00 H new ATOM 0 HE ARG A 190 26.762 -21.622 -6.517 1.00 0.00 H new ATOM 0 HH11 ARG A 190 23.277 -21.043 -7.003 1.00 0.00 H new ATOM 0 HH12 ARG A 190 22.798 -22.094 -5.666 1.00 0.00 H new ATOM 0 HH21 ARG A 190 26.114 -23.033 -4.835 1.00 0.00 H new ATOM 0 HH22 ARG A 190 24.402 -23.218 -4.441 1.00 0.00 H new