USER MOD reduce.3.24.130724 H: found=0, std=0, add=354, rem=0, adj=10 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 184 HIS :FLIP no HD1:sc= -0.654 F(o=-1.7,f=-1.1) USER MOD Set 1.2: A 188 THR OG1 : rot -130:sc= -0.452 USER MOD Set 2.1: A 186 ASN : amide:sc= 0.228 X(o=0.49,f=0.43) USER MOD Set 2.2: A 187 SER OG : rot -59:sc= 0.265 USER MOD Set 3.1: A 159 HIS :FLIP no HE2:sc= -0.102 F(o=-1.5,f=-0.41) USER MOD Set 3.2: A 164 ASN : amide:sc= -0.311 K(o=-0.41,f=-2.8) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.0096 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= -0.445 K(o=-0.45,f=-2.1!) USER MOD Single : A 160 LYS NZ :NH3+ -106:sc= 1.5 (180deg=-0.491) USER MOD Single : A 171 LYS NZ :NH3+ 149:sc= 2.42 (180deg=0.954) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 ASN : amide:sc= -0.564 K(o=-0.56,f=-4.1) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Single : A 183 ASN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 189 MET CE :methyl -137:sc= -0.121 (180deg=-0.544) USER MOD ----------------------------------------------------------------- ATOM 120 N TRP A 147 13.799 -11.125 -12.759 1.00 0.00 N ATOM 121 CA TRP A 147 14.252 -9.954 -13.494 1.00 0.00 C ATOM 122 C TRP A 147 13.891 -10.101 -14.972 1.00 0.00 C ATOM 123 O TRP A 147 13.498 -11.181 -15.416 1.00 0.00 O ATOM 124 CB TRP A 147 15.766 -9.809 -13.326 1.00 0.00 C ATOM 125 CG TRP A 147 16.227 -9.333 -11.981 1.00 0.00 C ATOM 126 CD1 TRP A 147 15.526 -9.385 -10.833 1.00 0.00 C ATOM 127 CD2 TRP A 147 17.502 -8.727 -11.621 1.00 0.00 C ATOM 128 NE1 TRP A 147 16.249 -8.861 -9.789 1.00 0.00 N ATOM 129 CE2 TRP A 147 17.488 -8.432 -10.221 1.00 0.00 C ATOM 130 CE3 TRP A 147 18.680 -8.398 -12.333 1.00 0.00 C ATOM 131 CZ2 TRP A 147 18.570 -7.835 -9.572 1.00 0.00 C ATOM 132 CZ3 TRP A 147 19.775 -7.796 -11.679 1.00 0.00 C ATOM 133 CH2 TRP A 147 19.715 -7.512 -10.305 1.00 0.00 C ATOM 0 HA TRP A 147 13.763 -9.061 -13.104 1.00 0.00 H new ATOM 0 HB2 TRP A 147 16.230 -10.774 -13.528 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.132 -9.115 -14.082 1.00 0.00 H new ATOM 0 HD1 TRP A 147 14.527 -9.786 -10.744 1.00 0.00 H new ATOM 0 HE1 TRP A 147 15.916 -8.798 -8.827 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.741 -8.611 -13.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.523 -7.625 -8.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.666 -7.552 -12.239 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.555 -7.043 -9.814 1.00 0.00 H new ATOM 144 N THR A 148 14.026 -9.009 -15.734 1.00 0.00 N ATOM 145 CA THR A 148 13.729 -9.023 -17.157 1.00 0.00 C ATOM 146 C THR A 148 14.910 -9.619 -17.922 1.00 0.00 C ATOM 147 O THR A 148 16.054 -9.505 -17.488 1.00 0.00 O ATOM 148 CB THR A 148 13.440 -7.597 -17.632 1.00 0.00 C ATOM 149 OG1 THR A 148 14.464 -6.734 -17.192 1.00 0.00 O ATOM 150 CG2 THR A 148 12.100 -7.124 -17.062 1.00 0.00 C ATOM 0 H THR A 148 14.341 -8.106 -15.380 1.00 0.00 H new ATOM 0 HA THR A 148 12.849 -9.638 -17.344 1.00 0.00 H new ATOM 0 HB THR A 148 13.396 -7.585 -18.721 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.278 -5.822 -17.499 1.00 0.00 H new ATOM 0 HG21 THR A 148 11.898 -6.108 -17.402 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.305 -7.786 -17.404 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.142 -7.140 -15.973 1.00 0.00 H new ATOM 158 N GLU A 149 14.619 -10.258 -19.062 1.00 0.00 N ATOM 159 CA GLU A 149 15.635 -10.901 -19.888 1.00 0.00 C ATOM 160 C GLU A 149 16.831 -9.972 -20.116 1.00 0.00 C ATOM 161 O GLU A 149 17.973 -10.406 -20.016 1.00 0.00 O ATOM 162 CB GLU A 149 15.012 -11.306 -21.228 1.00 0.00 C ATOM 163 CG GLU A 149 13.955 -12.390 -21.006 1.00 0.00 C ATOM 164 CD GLU A 149 13.347 -12.828 -22.333 1.00 0.00 C ATOM 165 OE1 GLU A 149 14.010 -13.631 -23.024 1.00 0.00 O ATOM 166 OE2 GLU A 149 12.231 -12.351 -22.630 1.00 0.00 O ATOM 0 H GLU A 149 13.672 -10.341 -19.433 1.00 0.00 H new ATOM 0 HA GLU A 149 16.000 -11.788 -19.370 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.559 -10.437 -21.706 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.786 -11.673 -21.902 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.405 -13.247 -20.506 1.00 0.00 H new ATOM 0 HG3 GLU A 149 13.172 -12.012 -20.348 1.00 0.00 H new ATOM 173 N GLU A 150 16.567 -8.695 -20.430 1.00 0.00 N ATOM 174 CA GLU A 150 17.628 -7.730 -20.690 1.00 0.00 C ATOM 175 C GLU A 150 18.558 -7.621 -19.479 1.00 0.00 C ATOM 176 O GLU A 150 19.767 -7.788 -19.615 1.00 0.00 O ATOM 177 CB GLU A 150 17.007 -6.370 -21.033 1.00 0.00 C ATOM 178 CG GLU A 150 18.106 -5.368 -21.417 1.00 0.00 C ATOM 179 CD GLU A 150 18.896 -5.851 -22.631 1.00 0.00 C ATOM 180 OE1 GLU A 150 18.280 -5.921 -23.716 1.00 0.00 O ATOM 181 OE2 GLU A 150 20.099 -6.142 -22.451 1.00 0.00 O ATOM 0 H GLU A 150 15.624 -8.313 -20.508 1.00 0.00 H new ATOM 0 HA GLU A 150 18.225 -8.066 -21.538 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.302 -6.481 -21.857 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.443 -5.994 -20.179 1.00 0.00 H new ATOM 0 HG2 GLU A 150 17.658 -4.398 -21.634 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.782 -5.225 -20.574 1.00 0.00 H new ATOM 188 N GLU A 151 17.995 -7.341 -18.295 1.00 0.00 N ATOM 189 CA GLU A 151 18.778 -7.209 -17.072 1.00 0.00 C ATOM 190 C GLU A 151 19.697 -8.422 -16.905 1.00 0.00 C ATOM 191 O GLU A 151 20.893 -8.262 -16.660 1.00 0.00 O ATOM 192 CB GLU A 151 17.837 -7.066 -15.875 1.00 0.00 C ATOM 193 CG GLU A 151 17.145 -5.699 -15.919 1.00 0.00 C ATOM 194 CD GLU A 151 16.096 -5.579 -14.819 1.00 0.00 C ATOM 195 OE1 GLU A 151 16.003 -6.522 -14.003 1.00 0.00 O ATOM 196 OE2 GLU A 151 15.404 -4.540 -14.803 1.00 0.00 O ATOM 0 H GLU A 151 16.993 -7.202 -18.165 1.00 0.00 H new ATOM 0 HA GLU A 151 19.402 -6.317 -17.132 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.092 -7.862 -15.889 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.397 -7.171 -14.946 1.00 0.00 H new ATOM 0 HG2 GLU A 151 17.887 -4.909 -15.806 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.674 -5.557 -16.892 1.00 0.00 H new ATOM 203 N ASP A 152 19.143 -9.635 -17.045 1.00 0.00 N ATOM 204 CA ASP A 152 19.923 -10.862 -16.930 1.00 0.00 C ATOM 205 C ASP A 152 21.025 -10.888 -17.995 1.00 0.00 C ATOM 206 O ASP A 152 22.156 -11.281 -17.710 1.00 0.00 O ATOM 207 CB ASP A 152 19.003 -12.078 -17.088 1.00 0.00 C ATOM 208 CG ASP A 152 18.135 -12.281 -15.854 1.00 0.00 C ATOM 209 OD1 ASP A 152 17.156 -11.517 -15.716 1.00 0.00 O ATOM 210 OD2 ASP A 152 18.465 -13.199 -15.072 1.00 0.00 O ATOM 0 H ASP A 152 18.153 -9.786 -17.239 1.00 0.00 H new ATOM 0 HA ASP A 152 20.390 -10.897 -15.946 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.368 -11.944 -17.964 1.00 0.00 H new ATOM 0 HB3 ASP A 152 19.604 -12.970 -17.263 1.00 0.00 H new ATOM 215 N ARG A 153 20.688 -10.471 -19.223 1.00 0.00 N ATOM 216 CA ARG A 153 21.635 -10.458 -20.334 1.00 0.00 C ATOM 217 C ARG A 153 22.850 -9.594 -19.981 1.00 0.00 C ATOM 218 O ARG A 153 23.990 -9.995 -20.230 1.00 0.00 O ATOM 219 CB ARG A 153 20.925 -9.930 -21.596 1.00 0.00 C ATOM 220 CG ARG A 153 21.555 -10.526 -22.869 1.00 0.00 C ATOM 221 CD ARG A 153 22.360 -9.456 -23.611 1.00 0.00 C ATOM 222 NE ARG A 153 23.579 -9.113 -22.874 1.00 0.00 N ATOM 223 CZ ARG A 153 24.367 -8.080 -23.199 1.00 0.00 C ATOM 224 NH1 ARG A 153 24.110 -7.348 -24.290 1.00 0.00 N ATOM 225 NH2 ARG A 153 25.415 -7.782 -22.424 1.00 0.00 N ATOM 0 H ARG A 153 19.756 -10.136 -19.468 1.00 0.00 H new ATOM 0 HA ARG A 153 21.991 -11.470 -20.529 1.00 0.00 H new ATOM 0 HB2 ARG A 153 19.866 -10.184 -21.556 1.00 0.00 H new ATOM 0 HB3 ARG A 153 20.991 -8.842 -21.627 1.00 0.00 H new ATOM 0 HG2 ARG A 153 22.203 -11.362 -22.606 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.774 -10.921 -23.519 1.00 0.00 H new ATOM 0 HD2 ARG A 153 22.621 -9.817 -24.606 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.749 -8.564 -23.746 1.00 0.00 H new ATOM 0 HE ARG A 153 23.840 -9.689 -22.074 1.00 0.00 H new ATOM 0 HH11 ARG A 153 23.310 -7.576 -24.880 1.00 0.00 H new ATOM 0 HH12 ARG A 153 24.715 -6.563 -24.531 1.00 0.00 H new ATOM 0 HH21 ARG A 153 25.609 -8.340 -21.592 1.00 0.00 H new ATOM 0 HH22 ARG A 153 26.020 -6.997 -22.664 1.00 0.00 H new ATOM 239 N ILE A 154 22.612 -8.411 -19.401 1.00 0.00 N ATOM 240 CA ILE A 154 23.691 -7.516 -19.007 1.00 0.00 C ATOM 241 C ILE A 154 24.471 -8.138 -17.847 1.00 0.00 C ATOM 242 O ILE A 154 25.701 -8.168 -17.870 1.00 0.00 O ATOM 243 CB ILE A 154 23.115 -6.147 -18.588 1.00 0.00 C ATOM 244 CG1 ILE A 154 22.332 -5.493 -19.746 1.00 0.00 C ATOM 245 CG2 ILE A 154 24.258 -5.221 -18.145 1.00 0.00 C ATOM 246 CD1 ILE A 154 23.176 -5.425 -21.021 1.00 0.00 C ATOM 0 H ILE A 154 21.678 -8.057 -19.197 1.00 0.00 H new ATOM 0 HA ILE A 154 24.364 -7.367 -19.852 1.00 0.00 H new ATOM 0 HB ILE A 154 22.425 -6.305 -17.759 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.423 -6.062 -19.940 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.024 -4.488 -19.457 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.850 -4.255 -17.849 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.781 -5.668 -17.300 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.955 -5.083 -18.971 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.595 -4.959 -21.817 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.073 -4.835 -20.833 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.462 -6.433 -21.322 1.00 0.00 H new ATOM 258 N LEU A 155 23.743 -8.627 -16.837 1.00 0.00 N ATOM 259 CA LEU A 155 24.341 -9.218 -15.646 1.00 0.00 C ATOM 260 C LEU A 155 25.291 -10.361 -16.022 1.00 0.00 C ATOM 261 O LEU A 155 26.350 -10.503 -15.421 1.00 0.00 O ATOM 262 CB LEU A 155 23.210 -9.716 -14.728 1.00 0.00 C ATOM 263 CG LEU A 155 23.706 -9.918 -13.283 1.00 0.00 C ATOM 264 CD1 LEU A 155 24.289 -8.610 -12.736 1.00 0.00 C ATOM 265 CD2 LEU A 155 22.526 -10.345 -12.413 1.00 0.00 C ATOM 0 H LEU A 155 22.723 -8.622 -16.827 1.00 0.00 H new ATOM 0 HA LEU A 155 24.934 -8.469 -15.120 1.00 0.00 H new ATOM 0 HB2 LEU A 155 22.390 -8.998 -14.736 1.00 0.00 H new ATOM 0 HB3 LEU A 155 22.814 -10.656 -15.113 1.00 0.00 H new ATOM 0 HG LEU A 155 24.482 -10.683 -13.271 1.00 0.00 H new ATOM 0 HD11 LEU A 155 24.636 -8.765 -11.714 1.00 0.00 H new ATOM 0 HD12 LEU A 155 25.126 -8.296 -13.360 1.00 0.00 H new ATOM 0 HD13 LEU A 155 23.520 -7.837 -12.744 1.00 0.00 H new ATOM 0 HD21 LEU A 155 22.864 -10.491 -11.387 1.00 0.00 H new ATOM 0 HD22 LEU A 155 21.759 -9.571 -12.435 1.00 0.00 H new ATOM 0 HD23 LEU A 155 22.111 -11.278 -12.795 1.00 0.00 H new ATOM 277 N TYR A 156 24.907 -11.176 -17.013 1.00 0.00 N ATOM 278 CA TYR A 156 25.714 -12.310 -17.446 1.00 0.00 C ATOM 279 C TYR A 156 27.097 -11.853 -17.910 1.00 0.00 C ATOM 280 O TYR A 156 28.108 -12.388 -17.452 1.00 0.00 O ATOM 281 CB TYR A 156 24.975 -13.052 -18.562 1.00 0.00 C ATOM 282 CG TYR A 156 25.766 -14.197 -19.163 1.00 0.00 C ATOM 283 CD1 TYR A 156 25.797 -15.448 -18.519 1.00 0.00 C ATOM 284 CD2 TYR A 156 26.467 -14.012 -20.369 1.00 0.00 C ATOM 285 CE1 TYR A 156 26.524 -16.511 -19.081 1.00 0.00 C ATOM 286 CE2 TYR A 156 27.194 -15.076 -20.930 1.00 0.00 C ATOM 287 CZ TYR A 156 27.222 -16.325 -20.286 1.00 0.00 C ATOM 288 OH TYR A 156 27.933 -17.354 -20.831 1.00 0.00 O ATOM 0 H TYR A 156 24.035 -11.064 -17.530 1.00 0.00 H new ATOM 0 HA TYR A 156 25.865 -12.987 -16.605 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.035 -13.439 -18.168 1.00 0.00 H new ATOM 0 HB3 TYR A 156 24.722 -12.344 -19.351 1.00 0.00 H new ATOM 0 HD1 TYR A 156 25.262 -15.591 -17.592 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.446 -13.052 -20.864 1.00 0.00 H new ATOM 0 HE1 TYR A 156 26.546 -17.471 -18.587 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.731 -14.934 -21.856 1.00 0.00 H new ATOM 0 HH TYR A 156 28.354 -17.056 -21.664 1.00 0.00 H new ATOM 298 N GLN A 157 27.152 -10.874 -18.820 1.00 0.00 N ATOM 299 CA GLN A 157 28.425 -10.378 -19.332 1.00 0.00 C ATOM 300 C GLN A 157 29.189 -9.654 -18.225 1.00 0.00 C ATOM 301 O GLN A 157 30.391 -9.859 -18.068 1.00 0.00 O ATOM 302 CB GLN A 157 28.186 -9.443 -20.521 1.00 0.00 C ATOM 303 CG GLN A 157 27.832 -10.265 -21.767 1.00 0.00 C ATOM 304 CD GLN A 157 27.966 -9.427 -23.037 1.00 0.00 C ATOM 305 OE1 GLN A 157 28.140 -8.212 -22.974 1.00 0.00 O ATOM 306 NE2 GLN A 157 27.885 -10.081 -24.196 1.00 0.00 N ATOM 0 H GLN A 157 26.331 -10.414 -19.213 1.00 0.00 H new ATOM 0 HA GLN A 157 29.024 -11.223 -19.671 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.379 -8.748 -20.292 1.00 0.00 H new ATOM 0 HB3 GLN A 157 29.078 -8.845 -20.710 1.00 0.00 H new ATOM 0 HG2 GLN A 157 28.487 -11.134 -21.831 1.00 0.00 H new ATOM 0 HG3 GLN A 157 26.812 -10.640 -21.681 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.740 -11.091 -24.203 1.00 0.00 H new ATOM 0 HE22 GLN A 157 27.968 -9.572 -25.076 1.00 0.00 H new ATOM 315 N ALA A 158 28.490 -8.809 -17.460 1.00 0.00 N ATOM 316 CA ALA A 158 29.104 -8.052 -16.379 1.00 0.00 C ATOM 317 C ALA A 158 29.814 -8.987 -15.408 1.00 0.00 C ATOM 318 O ALA A 158 30.954 -8.740 -15.027 1.00 0.00 O ATOM 319 CB ALA A 158 28.025 -7.263 -15.639 1.00 0.00 C ATOM 0 H ALA A 158 27.492 -8.636 -17.576 1.00 0.00 H new ATOM 0 HA ALA A 158 29.839 -7.366 -16.800 1.00 0.00 H new ATOM 0 HB1 ALA A 158 28.481 -6.695 -14.828 1.00 0.00 H new ATOM 0 HB2 ALA A 158 27.536 -6.578 -16.332 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.287 -7.952 -15.228 1.00 0.00 H new ATOM 325 N HIS A 159 29.123 -10.053 -15.001 1.00 0.00 N ATOM 326 CA HIS A 159 29.647 -10.998 -14.033 1.00 0.00 C ATOM 327 C HIS A 159 31.032 -11.501 -14.434 1.00 0.00 C ATOM 328 O HIS A 159 31.965 -11.415 -13.648 1.00 0.00 O ATOM 329 CB HIS A 159 28.674 -12.170 -13.894 1.00 0.00 C ATOM 330 CG HIS A 159 29.056 -13.082 -12.768 1.00 0.00 C ATOM 331 ND1 HIS A 159 29.320 -12.838 -11.451 1.00 0.00 N flip ATOM 332 CD2 HIS A 159 29.223 -14.451 -12.923 1.00 0.00 C flip ATOM 333 CE1 HIS A 159 29.641 -14.001 -10.766 1.00 0.00 C flip ATOM 334 NE2 HIS A 159 29.566 -14.938 -11.712 1.00 0.00 N flip ATOM 0 H HIS A 159 28.187 -10.279 -15.337 1.00 0.00 H new ATOM 0 HA HIS A 159 29.750 -10.490 -13.074 1.00 0.00 H new ATOM 0 HB2 HIS A 159 27.667 -11.788 -13.726 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.650 -12.734 -14.826 1.00 0.00 H new ATOM 0 HD1 HIS A 159 29.285 -11.913 -11.023 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.102 -15.017 -13.835 1.00 0.00 H new ATOM 0 HE1 HIS A 159 29.891 -14.119 -9.722 1.00 0.00 H new ATOM 342 N LYS A 160 31.164 -12.039 -15.648 1.00 0.00 N ATOM 343 CA LYS A 160 32.428 -12.616 -16.097 1.00 0.00 C ATOM 344 C LYS A 160 33.453 -11.525 -16.411 1.00 0.00 C ATOM 345 O LYS A 160 34.646 -11.726 -16.198 1.00 0.00 O ATOM 346 CB LYS A 160 32.191 -13.531 -17.311 1.00 0.00 C ATOM 347 CG LYS A 160 31.528 -12.758 -18.463 1.00 0.00 C ATOM 348 CD LYS A 160 31.355 -13.672 -19.688 1.00 0.00 C ATOM 349 CE LYS A 160 30.571 -14.943 -19.323 1.00 0.00 C ATOM 350 NZ LYS A 160 29.350 -14.629 -18.557 1.00 0.00 N ATOM 0 H LYS A 160 30.412 -12.086 -16.335 1.00 0.00 H new ATOM 0 HA LYS A 160 32.839 -13.221 -15.289 1.00 0.00 H new ATOM 0 HB2 LYS A 160 33.140 -13.948 -17.647 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.559 -14.370 -17.020 1.00 0.00 H new ATOM 0 HG2 LYS A 160 30.557 -12.378 -18.144 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.137 -11.894 -18.728 1.00 0.00 H new ATOM 0 HD2 LYS A 160 30.832 -13.132 -20.477 1.00 0.00 H new ATOM 0 HD3 LYS A 160 32.333 -13.945 -20.083 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.302 -15.479 -20.233 1.00 0.00 H new ATOM 0 HE3 LYS A 160 31.207 -15.608 -18.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 29.490 -14.888 -17.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 29.149 -13.611 -18.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 28.549 -15.167 -18.945 1.00 0.00 H new ATOM 364 N ARG A 161 33.000 -10.374 -16.916 1.00 0.00 N ATOM 365 CA ARG A 161 33.897 -9.282 -17.260 1.00 0.00 C ATOM 366 C ARG A 161 34.583 -8.750 -15.997 1.00 0.00 C ATOM 367 O ARG A 161 35.782 -8.483 -16.013 1.00 0.00 O ATOM 368 CB ARG A 161 33.100 -8.177 -17.969 1.00 0.00 C ATOM 369 CG ARG A 161 34.034 -7.057 -18.459 1.00 0.00 C ATOM 370 CD ARG A 161 34.918 -7.563 -19.603 1.00 0.00 C ATOM 371 NE ARG A 161 35.620 -6.448 -20.251 1.00 0.00 N ATOM 372 CZ ARG A 161 36.533 -6.622 -21.223 1.00 0.00 C ATOM 373 NH1 ARG A 161 36.830 -7.854 -21.657 1.00 0.00 N ATOM 374 NH2 ARG A 161 37.146 -5.558 -21.758 1.00 0.00 N ATOM 0 H ARG A 161 32.014 -10.180 -17.094 1.00 0.00 H new ATOM 0 HA ARG A 161 34.674 -9.639 -17.936 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.557 -8.600 -18.814 1.00 0.00 H new ATOM 0 HB3 ARG A 161 32.357 -7.764 -17.287 1.00 0.00 H new ATOM 0 HG2 ARG A 161 33.445 -6.204 -18.796 1.00 0.00 H new ATOM 0 HG3 ARG A 161 34.657 -6.708 -17.636 1.00 0.00 H new ATOM 0 HD2 ARG A 161 35.643 -8.281 -19.219 1.00 0.00 H new ATOM 0 HD3 ARG A 161 34.306 -8.089 -20.336 1.00 0.00 H new ATOM 0 HE ARG A 161 35.405 -5.497 -19.950 1.00 0.00 H new ATOM 0 HH11 ARG A 161 36.363 -8.664 -21.250 1.00 0.00 H new ATOM 0 HH12 ARG A 161 37.523 -7.982 -22.394 1.00 0.00 H new ATOM 0 HH21 ARG A 161 36.920 -4.620 -21.428 1.00 0.00 H new ATOM 0 HH22 ARG A 161 37.839 -5.686 -22.495 1.00 0.00 H new ATOM 388 N LEU A 162 33.813 -8.595 -14.912 1.00 0.00 N ATOM 389 CA LEU A 162 34.335 -8.078 -13.649 1.00 0.00 C ATOM 390 C LEU A 162 34.703 -9.229 -12.703 1.00 0.00 C ATOM 391 O LEU A 162 35.146 -8.980 -11.578 1.00 0.00 O ATOM 392 CB LEU A 162 33.270 -7.179 -12.992 1.00 0.00 C ATOM 393 CG LEU A 162 33.249 -5.761 -13.603 1.00 0.00 C ATOM 394 CD1 LEU A 162 34.627 -5.099 -13.485 1.00 0.00 C ATOM 395 CD2 LEU A 162 32.823 -5.814 -15.073 1.00 0.00 C ATOM 0 H LEU A 162 32.819 -8.824 -14.889 1.00 0.00 H new ATOM 0 HA LEU A 162 35.236 -7.498 -13.848 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.288 -7.638 -13.108 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.465 -7.109 -11.922 1.00 0.00 H new ATOM 0 HG LEU A 162 32.525 -5.166 -13.047 1.00 0.00 H new ATOM 0 HD11 LEU A 162 34.590 -4.101 -13.922 1.00 0.00 H new ATOM 0 HD12 LEU A 162 34.906 -5.025 -12.434 1.00 0.00 H new ATOM 0 HD13 LEU A 162 35.366 -5.700 -14.015 1.00 0.00 H new ATOM 0 HD21 LEU A 162 32.814 -4.805 -15.486 1.00 0.00 H new ATOM 0 HD22 LEU A 162 33.526 -6.430 -15.634 1.00 0.00 H new ATOM 0 HD23 LEU A 162 31.825 -6.245 -15.147 1.00 0.00 H new ATOM 407 N GLY A 163 34.521 -10.482 -13.145 1.00 0.00 N ATOM 408 CA GLY A 163 34.819 -11.649 -12.325 1.00 0.00 C ATOM 409 C GLY A 163 33.749 -11.814 -11.247 1.00 0.00 C ATOM 410 O GLY A 163 32.890 -12.688 -11.346 1.00 0.00 O ATOM 0 H GLY A 163 34.166 -10.706 -14.074 1.00 0.00 H new ATOM 0 HA2 GLY A 163 34.860 -12.542 -12.949 1.00 0.00 H new ATOM 0 HA3 GLY A 163 35.800 -11.538 -11.862 1.00 0.00 H new ATOM 414 N ASN A 164 33.806 -10.963 -10.216 1.00 0.00 N ATOM 415 CA ASN A 164 32.836 -10.984 -9.127 1.00 0.00 C ATOM 416 C ASN A 164 32.862 -9.638 -8.387 1.00 0.00 C ATOM 417 O ASN A 164 32.485 -9.562 -7.219 1.00 0.00 O ATOM 418 CB ASN A 164 33.160 -12.149 -8.182 1.00 0.00 C ATOM 419 CG ASN A 164 31.998 -12.439 -7.234 1.00 0.00 C ATOM 420 OD1 ASN A 164 30.970 -12.969 -7.652 1.00 0.00 O ATOM 421 ND2 ASN A 164 32.161 -12.101 -5.954 1.00 0.00 N ATOM 0 H ASN A 164 34.524 -10.245 -10.118 1.00 0.00 H new ATOM 0 HA ASN A 164 31.831 -11.132 -9.522 1.00 0.00 H new ATOM 0 HB2 ASN A 164 33.386 -13.041 -8.766 1.00 0.00 H new ATOM 0 HB3 ASN A 164 34.053 -11.912 -7.603 1.00 0.00 H new ATOM 0 HD21 ASN A 164 31.416 -12.281 -5.280 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.030 -11.663 -5.649 1.00 0.00 H new ATOM 428 N ARG A 165 33.313 -8.573 -9.070 1.00 0.00 N ATOM 429 CA ARG A 165 33.394 -7.245 -8.474 1.00 0.00 C ATOM 430 C ARG A 165 32.014 -6.582 -8.516 1.00 0.00 C ATOM 431 O ARG A 165 31.817 -5.579 -9.203 1.00 0.00 O ATOM 432 CB ARG A 165 34.443 -6.423 -9.238 1.00 0.00 C ATOM 433 CG ARG A 165 34.924 -5.252 -8.380 1.00 0.00 C ATOM 434 CD ARG A 165 35.919 -4.411 -9.184 1.00 0.00 C ATOM 435 NE ARG A 165 37.163 -5.155 -9.421 1.00 0.00 N ATOM 436 CZ ARG A 165 38.104 -4.762 -10.301 1.00 0.00 C ATOM 437 NH1 ARG A 165 37.921 -3.664 -11.049 1.00 0.00 N ATOM 438 NH2 ARG A 165 39.231 -5.474 -10.429 1.00 0.00 N ATOM 0 H ARG A 165 33.627 -8.615 -10.040 1.00 0.00 H new ATOM 0 HA ARG A 165 33.700 -7.309 -7.430 1.00 0.00 H new ATOM 0 HB2 ARG A 165 35.288 -7.057 -9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 165 34.016 -6.050 -10.169 1.00 0.00 H new ATOM 0 HG2 ARG A 165 34.077 -4.639 -8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.396 -5.623 -7.470 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.474 -4.126 -10.137 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.139 -3.488 -8.647 1.00 0.00 H new ATOM 0 HE ARG A 165 37.322 -6.013 -8.892 1.00 0.00 H new ATOM 0 HH11 ARG A 165 37.064 -3.119 -10.954 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.639 -3.374 -11.713 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.374 -6.310 -9.862 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.947 -5.181 -11.094 1.00 0.00 H new ATOM 452 N TRP A 166 31.061 -7.158 -7.775 1.00 0.00 N ATOM 453 CA TRP A 166 29.688 -6.669 -7.728 1.00 0.00 C ATOM 454 C TRP A 166 29.642 -5.174 -7.416 1.00 0.00 C ATOM 455 O TRP A 166 28.821 -4.451 -7.981 1.00 0.00 O ATOM 456 CB TRP A 166 28.915 -7.460 -6.676 1.00 0.00 C ATOM 457 CG TRP A 166 28.754 -8.913 -6.991 1.00 0.00 C ATOM 458 CD1 TRP A 166 29.242 -9.931 -6.263 1.00 0.00 C ATOM 459 CD2 TRP A 166 28.060 -9.538 -8.112 1.00 0.00 C ATOM 460 NE1 TRP A 166 28.905 -11.139 -6.821 1.00 0.00 N ATOM 461 CE2 TRP A 166 28.164 -10.957 -7.973 1.00 0.00 C ATOM 462 CE3 TRP A 166 27.347 -9.059 -9.236 1.00 0.00 C ATOM 463 CZ2 TRP A 166 27.587 -11.844 -8.883 1.00 0.00 C ATOM 464 CZ3 TRP A 166 26.771 -9.953 -10.164 1.00 0.00 C ATOM 465 CH2 TRP A 166 26.886 -11.341 -9.983 1.00 0.00 C ATOM 0 H TRP A 166 31.226 -7.978 -7.191 1.00 0.00 H new ATOM 0 HA TRP A 166 29.228 -6.811 -8.706 1.00 0.00 H new ATOM 0 HB2 TRP A 166 29.426 -7.363 -5.718 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.927 -7.015 -6.557 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.822 -9.815 -5.359 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.166 -12.047 -6.437 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.242 -7.995 -9.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.681 -12.910 -8.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.238 -9.567 -11.020 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.434 -12.018 -10.692 1.00 0.00 H new ATOM 476 N ALA A 167 30.518 -4.713 -6.518 1.00 0.00 N ATOM 477 CA ALA A 167 30.569 -3.312 -6.130 1.00 0.00 C ATOM 478 C ALA A 167 30.721 -2.413 -7.362 1.00 0.00 C ATOM 479 O ALA A 167 30.124 -1.339 -7.419 1.00 0.00 O ATOM 480 CB ALA A 167 31.740 -3.102 -5.168 1.00 0.00 C ATOM 0 H ALA A 167 31.205 -5.301 -6.046 1.00 0.00 H new ATOM 0 HA ALA A 167 29.637 -3.043 -5.633 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.785 -2.054 -4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.600 -3.723 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.671 -3.380 -5.662 1.00 0.00 H new ATOM 486 N GLU A 168 31.521 -2.854 -8.344 1.00 0.00 N ATOM 487 CA GLU A 168 31.764 -2.074 -9.548 1.00 0.00 C ATOM 488 C GLU A 168 30.697 -2.365 -10.609 1.00 0.00 C ATOM 489 O GLU A 168 30.413 -1.512 -11.442 1.00 0.00 O ATOM 490 CB GLU A 168 33.161 -2.396 -10.085 1.00 0.00 C ATOM 491 CG GLU A 168 33.708 -1.189 -10.853 1.00 0.00 C ATOM 492 CD GLU A 168 34.687 -1.627 -11.929 1.00 0.00 C ATOM 493 OE1 GLU A 168 35.781 -2.093 -11.547 1.00 0.00 O ATOM 494 OE2 GLU A 168 34.319 -1.487 -13.117 1.00 0.00 O ATOM 0 H GLU A 168 32.008 -3.750 -8.320 1.00 0.00 H new ATOM 0 HA GLU A 168 31.708 -1.013 -9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.829 -2.649 -9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 168 33.118 -3.267 -10.739 1.00 0.00 H new ATOM 0 HG2 GLU A 168 32.884 -0.639 -11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.203 -0.507 -10.161 1.00 0.00 H new ATOM 501 N ILE A 169 30.106 -3.562 -10.586 1.00 0.00 N ATOM 502 CA ILE A 169 29.070 -3.922 -11.548 1.00 0.00 C ATOM 503 C ILE A 169 27.822 -3.073 -11.303 1.00 0.00 C ATOM 504 O ILE A 169 27.215 -2.573 -12.251 1.00 0.00 O ATOM 505 CB ILE A 169 28.741 -5.412 -11.410 1.00 0.00 C ATOM 506 CG1 ILE A 169 29.910 -6.247 -11.963 1.00 0.00 C ATOM 507 CG2 ILE A 169 27.454 -5.737 -12.186 1.00 0.00 C ATOM 508 CD1 ILE A 169 29.681 -7.739 -11.690 1.00 0.00 C ATOM 0 H ILE A 169 30.329 -4.295 -9.912 1.00 0.00 H new ATOM 0 HA ILE A 169 29.427 -3.732 -12.560 1.00 0.00 H new ATOM 0 HB ILE A 169 28.590 -5.653 -10.358 1.00 0.00 H new ATOM 0 HG12 ILE A 169 30.010 -6.079 -13.035 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.844 -5.926 -11.502 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.226 -6.798 -12.084 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.629 -5.148 -11.785 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.594 -5.496 -13.240 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.517 -8.314 -12.088 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.605 -7.905 -10.615 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.758 -8.060 -12.173 1.00 0.00 H new ATOM 520 N ALA A 170 27.440 -2.914 -10.026 1.00 0.00 N ATOM 521 CA ALA A 170 26.254 -2.149 -9.659 1.00 0.00 C ATOM 522 C ALA A 170 26.365 -0.693 -10.114 1.00 0.00 C ATOM 523 O ALA A 170 25.381 0.032 -10.072 1.00 0.00 O ATOM 524 CB ALA A 170 26.045 -2.217 -8.149 1.00 0.00 C ATOM 0 H ALA A 170 27.943 -3.310 -9.232 1.00 0.00 H new ATOM 0 HA ALA A 170 25.394 -2.588 -10.165 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.158 -1.644 -7.878 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.913 -3.256 -7.846 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.915 -1.800 -7.642 1.00 0.00 H new ATOM 530 N LYS A 171 27.552 -0.258 -10.560 1.00 0.00 N ATOM 531 CA LYS A 171 27.719 1.098 -11.056 1.00 0.00 C ATOM 532 C LYS A 171 26.779 1.315 -12.250 1.00 0.00 C ATOM 533 O LYS A 171 26.343 2.437 -12.504 1.00 0.00 O ATOM 534 CB LYS A 171 29.194 1.337 -11.424 1.00 0.00 C ATOM 535 CG LYS A 171 29.480 0.917 -12.873 1.00 0.00 C ATOM 536 CD LYS A 171 30.966 1.142 -13.183 1.00 0.00 C ATOM 537 CE LYS A 171 31.397 0.242 -14.346 1.00 0.00 C ATOM 538 NZ LYS A 171 31.725 -1.116 -13.872 1.00 0.00 N ATOM 0 H LYS A 171 28.398 -0.827 -10.584 1.00 0.00 H new ATOM 0 HA LYS A 171 27.456 1.823 -10.286 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.438 2.391 -11.293 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.836 0.775 -10.746 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.221 -0.132 -13.017 1.00 0.00 H new ATOM 0 HG3 LYS A 171 28.862 1.495 -13.560 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.139 2.188 -13.437 1.00 0.00 H new ATOM 0 HD3 LYS A 171 31.568 0.924 -12.301 1.00 0.00 H new ATOM 0 HE2 LYS A 171 30.598 0.190 -15.085 1.00 0.00 H new ATOM 0 HE3 LYS A 171 32.264 0.676 -14.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 31.503 -1.807 -14.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 32.738 -1.168 -13.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 31.165 -1.332 -13.022 1.00 0.00 H new ATOM 552 N LEU A 172 26.465 0.226 -12.973 1.00 0.00 N ATOM 553 CA LEU A 172 25.556 0.275 -14.108 1.00 0.00 C ATOM 554 C LEU A 172 24.113 0.317 -13.603 1.00 0.00 C ATOM 555 O LEU A 172 23.272 0.994 -14.191 1.00 0.00 O ATOM 556 CB LEU A 172 25.768 -0.963 -14.995 1.00 0.00 C ATOM 557 CG LEU A 172 27.233 -1.067 -15.457 1.00 0.00 C ATOM 558 CD1 LEU A 172 27.420 -2.366 -16.244 1.00 0.00 C ATOM 559 CD2 LEU A 172 27.592 0.124 -16.353 1.00 0.00 C ATOM 0 H LEU A 172 26.837 -0.704 -12.780 1.00 0.00 H new ATOM 0 HA LEU A 172 25.756 1.170 -14.697 1.00 0.00 H new ATOM 0 HB2 LEU A 172 25.492 -1.862 -14.443 1.00 0.00 H new ATOM 0 HB3 LEU A 172 25.112 -0.909 -15.864 1.00 0.00 H new ATOM 0 HG LEU A 172 27.884 -1.062 -14.583 1.00 0.00 H new ATOM 0 HD11 LEU A 172 28.456 -2.446 -16.574 1.00 0.00 H new ATOM 0 HD12 LEU A 172 27.176 -3.216 -15.607 1.00 0.00 H new ATOM 0 HD13 LEU A 172 26.762 -2.363 -17.113 1.00 0.00 H new ATOM 0 HD21 LEU A 172 28.630 0.039 -16.673 1.00 0.00 H new ATOM 0 HD22 LEU A 172 26.942 0.130 -17.228 1.00 0.00 H new ATOM 0 HD23 LEU A 172 27.459 1.051 -15.796 1.00 0.00 H new ATOM 571 N LEU A 173 23.837 -0.412 -12.508 1.00 0.00 N ATOM 572 CA LEU A 173 22.504 -0.474 -11.915 1.00 0.00 C ATOM 573 C LEU A 173 22.584 -0.110 -10.429 1.00 0.00 C ATOM 574 O LEU A 173 22.559 -0.998 -9.581 1.00 0.00 O ATOM 575 CB LEU A 173 21.936 -1.894 -12.088 1.00 0.00 C ATOM 576 CG LEU A 173 21.749 -2.232 -13.578 1.00 0.00 C ATOM 577 CD1 LEU A 173 21.444 -3.726 -13.718 1.00 0.00 C ATOM 578 CD2 LEU A 173 20.585 -1.424 -14.162 1.00 0.00 C ATOM 0 H LEU A 173 24.534 -0.971 -12.016 1.00 0.00 H new ATOM 0 HA LEU A 173 21.845 0.236 -12.414 1.00 0.00 H new ATOM 0 HB2 LEU A 173 22.609 -2.618 -11.628 1.00 0.00 H new ATOM 0 HB3 LEU A 173 20.980 -1.974 -11.570 1.00 0.00 H new ATOM 0 HG LEU A 173 22.662 -1.982 -14.118 1.00 0.00 H new ATOM 0 HD11 LEU A 173 21.310 -3.973 -14.771 1.00 0.00 H new ATOM 0 HD12 LEU A 173 22.273 -4.306 -13.312 1.00 0.00 H new ATOM 0 HD13 LEU A 173 20.532 -3.964 -13.171 1.00 0.00 H new ATOM 0 HD21 LEU A 173 20.463 -1.672 -15.216 1.00 0.00 H new ATOM 0 HD22 LEU A 173 19.668 -1.665 -13.624 1.00 0.00 H new ATOM 0 HD23 LEU A 173 20.795 -0.359 -14.062 1.00 0.00 H new ATOM 590 N PRO A 174 22.681 1.198 -10.105 1.00 0.00 N ATOM 591 CA PRO A 174 22.775 1.659 -8.733 1.00 0.00 C ATOM 592 C PRO A 174 21.582 1.178 -7.906 1.00 0.00 C ATOM 593 O PRO A 174 21.743 0.805 -6.746 1.00 0.00 O ATOM 594 CB PRO A 174 22.825 3.189 -8.803 1.00 0.00 C ATOM 595 CG PRO A 174 22.815 3.570 -10.288 1.00 0.00 C ATOM 596 CD PRO A 174 22.704 2.269 -11.083 1.00 0.00 C ATOM 0 HA PRO A 174 23.662 1.259 -8.241 1.00 0.00 H new ATOM 0 HB2 PRO A 174 21.971 3.627 -8.287 1.00 0.00 H new ATOM 0 HB3 PRO A 174 23.722 3.568 -8.313 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.977 4.231 -10.511 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.725 4.108 -10.554 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.799 2.260 -11.691 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.547 2.156 -11.764 1.00 0.00 H new ATOM 604 N GLY A 175 20.385 1.186 -8.508 1.00 0.00 N ATOM 605 CA GLY A 175 19.174 0.748 -7.832 1.00 0.00 C ATOM 606 C GLY A 175 19.328 -0.686 -7.329 1.00 0.00 C ATOM 607 O GLY A 175 18.903 -1.007 -6.220 1.00 0.00 O ATOM 0 H GLY A 175 20.238 1.495 -9.469 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.958 1.412 -6.995 1.00 0.00 H new ATOM 0 HA3 GLY A 175 18.327 0.811 -8.515 1.00 0.00 H new ATOM 611 N ARG A 176 19.942 -1.549 -8.149 1.00 0.00 N ATOM 612 CA ARG A 176 20.154 -2.939 -7.785 1.00 0.00 C ATOM 613 C ARG A 176 21.403 -3.039 -6.908 1.00 0.00 C ATOM 614 O ARG A 176 22.522 -2.918 -7.399 1.00 0.00 O ATOM 615 CB ARG A 176 20.299 -3.796 -9.056 1.00 0.00 C ATOM 616 CG ARG A 176 19.122 -3.559 -10.026 1.00 0.00 C ATOM 617 CD ARG A 176 17.803 -4.033 -9.399 1.00 0.00 C ATOM 618 NE ARG A 176 16.663 -3.714 -10.268 1.00 0.00 N ATOM 619 CZ ARG A 176 16.348 -4.415 -11.373 1.00 0.00 C ATOM 620 NH1 ARG A 176 17.057 -5.496 -11.716 1.00 0.00 N ATOM 621 NH2 ARG A 176 15.319 -4.023 -12.134 1.00 0.00 N ATOM 0 H ARG A 176 20.299 -1.299 -9.071 1.00 0.00 H new ATOM 0 HA ARG A 176 19.299 -3.314 -7.223 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.238 -3.556 -9.554 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.343 -4.851 -8.784 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.054 -2.499 -10.272 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.300 -4.092 -10.960 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.844 -5.109 -9.227 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.667 -3.559 -8.427 1.00 0.00 H new ATOM 0 HE ARG A 176 16.077 -2.917 -10.020 1.00 0.00 H new ATOM 0 HH11 ARG A 176 17.843 -5.795 -11.139 1.00 0.00 H new ATOM 0 HH12 ARG A 176 16.812 -6.022 -12.555 1.00 0.00 H new ATOM 0 HH21 ARG A 176 14.779 -3.197 -11.875 1.00 0.00 H new ATOM 0 HH22 ARG A 176 15.075 -4.550 -12.973 1.00 0.00 H new ATOM 635 N THR A 177 21.202 -3.260 -5.605 1.00 0.00 N ATOM 636 CA THR A 177 22.304 -3.365 -4.657 1.00 0.00 C ATOM 637 C THR A 177 22.923 -4.764 -4.757 1.00 0.00 C ATOM 638 O THR A 177 22.262 -5.703 -5.201 1.00 0.00 O ATOM 639 CB THR A 177 21.771 -3.077 -3.246 1.00 0.00 C ATOM 640 OG1 THR A 177 21.173 -1.797 -3.228 1.00 0.00 O ATOM 641 CG2 THR A 177 22.912 -3.109 -2.225 1.00 0.00 C ATOM 0 H THR A 177 20.279 -3.369 -5.186 1.00 0.00 H new ATOM 0 HA THR A 177 23.083 -2.637 -4.883 1.00 0.00 H new ATOM 0 HB THR A 177 21.039 -3.841 -2.984 1.00 0.00 H new ATOM 0 HG1 THR A 177 20.830 -1.609 -2.330 1.00 0.00 H new ATOM 0 HG21 THR A 177 22.516 -2.903 -1.231 1.00 0.00 H new ATOM 0 HG22 THR A 177 23.380 -4.094 -2.233 1.00 0.00 H new ATOM 0 HG23 THR A 177 23.654 -2.353 -2.484 1.00 0.00 H new ATOM 649 N ASP A 178 24.200 -4.893 -4.363 1.00 0.00 N ATOM 650 CA ASP A 178 24.932 -6.152 -4.469 1.00 0.00 C ATOM 651 C ASP A 178 24.131 -7.314 -3.863 1.00 0.00 C ATOM 652 O ASP A 178 24.017 -8.362 -4.485 1.00 0.00 O ATOM 653 CB ASP A 178 26.310 -6.015 -3.797 1.00 0.00 C ATOM 654 CG ASP A 178 26.244 -6.307 -2.302 1.00 0.00 C ATOM 655 OD1 ASP A 178 25.740 -5.425 -1.573 1.00 0.00 O ATOM 656 OD2 ASP A 178 26.693 -7.412 -1.917 1.00 0.00 O ATOM 0 H ASP A 178 24.746 -4.129 -3.965 1.00 0.00 H new ATOM 0 HA ASP A 178 25.081 -6.379 -5.525 1.00 0.00 H new ATOM 0 HB2 ASP A 178 27.014 -6.699 -4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.692 -5.006 -3.954 1.00 0.00 H new ATOM 661 N ASN A 179 23.585 -7.131 -2.655 1.00 0.00 N ATOM 662 CA ASN A 179 22.837 -8.188 -1.982 1.00 0.00 C ATOM 663 C ASN A 179 21.692 -8.683 -2.869 1.00 0.00 C ATOM 664 O ASN A 179 21.445 -9.883 -2.940 1.00 0.00 O ATOM 665 CB ASN A 179 22.313 -7.681 -0.629 1.00 0.00 C ATOM 666 CG ASN A 179 21.144 -6.717 -0.803 1.00 0.00 C ATOM 667 OD1 ASN A 179 21.257 -5.727 -1.515 1.00 0.00 O ATOM 668 ND2 ASN A 179 20.018 -7.008 -0.152 1.00 0.00 N ATOM 0 H ASN A 179 23.650 -6.260 -2.128 1.00 0.00 H new ATOM 0 HA ASN A 179 23.502 -9.031 -1.797 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.999 -8.528 -0.020 1.00 0.00 H new ATOM 0 HB3 ASN A 179 23.119 -7.183 -0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 179 19.207 -6.395 -0.237 1.00 0.00 H new ATOM 0 HD22 ASN A 179 19.967 -7.844 0.431 1.00 0.00 H new ATOM 675 N ALA A 180 21.002 -7.761 -3.549 1.00 0.00 N ATOM 676 CA ALA A 180 19.895 -8.115 -4.422 1.00 0.00 C ATOM 677 C ALA A 180 20.418 -8.801 -5.681 1.00 0.00 C ATOM 678 O ALA A 180 19.841 -9.784 -6.130 1.00 0.00 O ATOM 679 CB ALA A 180 19.111 -6.855 -4.780 1.00 0.00 C ATOM 0 H ALA A 180 21.198 -6.761 -3.506 1.00 0.00 H new ATOM 0 HA ALA A 180 19.232 -8.810 -3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.280 -7.117 -5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.725 -6.396 -3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.768 -6.151 -5.291 1.00 0.00 H new ATOM 685 N ILE A 181 21.511 -8.279 -6.248 1.00 0.00 N ATOM 686 CA ILE A 181 22.106 -8.843 -7.454 1.00 0.00 C ATOM 687 C ILE A 181 22.546 -10.273 -7.209 1.00 0.00 C ATOM 688 O ILE A 181 22.344 -11.128 -8.049 1.00 0.00 O ATOM 689 CB ILE A 181 23.303 -7.989 -7.877 1.00 0.00 C ATOM 690 CG1 ILE A 181 22.795 -6.713 -8.527 1.00 0.00 C ATOM 691 CG2 ILE A 181 24.162 -8.760 -8.878 1.00 0.00 C ATOM 692 CD1 ILE A 181 23.827 -5.599 -8.351 1.00 0.00 C ATOM 0 H ILE A 181 22.001 -7.461 -5.884 1.00 0.00 H new ATOM 0 HA ILE A 181 21.362 -8.845 -8.251 1.00 0.00 H new ATOM 0 HB ILE A 181 23.905 -7.747 -7.001 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.607 -6.883 -9.587 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.847 -6.418 -8.078 1.00 0.00 H new ATOM 0 HG21 ILE A 181 25.013 -8.147 -9.176 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.521 -9.680 -8.417 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.566 -9.004 -9.757 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.459 -4.685 -8.818 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.993 -5.422 -7.288 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.765 -5.895 -8.821 1.00 0.00 H new ATOM 704 N LYS A 182 23.153 -10.523 -6.057 1.00 0.00 N ATOM 705 CA LYS A 182 23.628 -11.845 -5.709 1.00 0.00 C ATOM 706 C LYS A 182 22.462 -12.736 -5.362 1.00 0.00 C ATOM 707 O LYS A 182 22.422 -13.888 -5.787 1.00 0.00 O ATOM 708 CB LYS A 182 24.564 -11.726 -4.528 1.00 0.00 C ATOM 709 CG LYS A 182 25.945 -11.333 -5.029 1.00 0.00 C ATOM 710 CD LYS A 182 26.605 -10.384 -4.019 1.00 0.00 C ATOM 711 CE LYS A 182 26.509 -10.963 -2.596 1.00 0.00 C ATOM 712 NZ LYS A 182 27.182 -10.076 -1.626 1.00 0.00 N ATOM 0 H LYS A 182 23.327 -9.815 -5.344 1.00 0.00 H new ATOM 0 HA LYS A 182 24.157 -12.285 -6.554 1.00 0.00 H new ATOM 0 HB2 LYS A 182 24.192 -10.980 -3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.614 -12.673 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 182 26.561 -12.222 -5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 182 25.866 -10.848 -6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.650 -10.229 -4.286 1.00 0.00 H new ATOM 0 HD3 LYS A 182 26.119 -9.409 -4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 182 25.462 -11.087 -2.318 1.00 0.00 H new ATOM 0 HE3 LYS A 182 26.965 -11.953 -2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 27.106 -10.484 -0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.185 -9.979 -1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 26.729 -9.140 -1.639 1.00 0.00 H new ATOM 726 N ASN A 183 21.505 -12.213 -4.591 1.00 0.00 N ATOM 727 CA ASN A 183 20.343 -12.985 -4.231 1.00 0.00 C ATOM 728 C ASN A 183 19.640 -13.414 -5.519 1.00 0.00 C ATOM 729 O ASN A 183 19.119 -14.519 -5.611 1.00 0.00 O ATOM 730 CB ASN A 183 19.410 -12.163 -3.343 1.00 0.00 C ATOM 731 CG ASN A 183 18.200 -12.989 -2.924 1.00 0.00 C ATOM 732 OD1 ASN A 183 17.066 -12.634 -3.228 1.00 0.00 O ATOM 733 ND2 ASN A 183 18.446 -14.096 -2.221 1.00 0.00 N ATOM 0 H ASN A 183 21.523 -11.266 -4.214 1.00 0.00 H new ATOM 0 HA ASN A 183 20.637 -13.867 -3.662 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.948 -11.822 -2.458 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.081 -11.272 -3.879 1.00 0.00 H new ATOM 0 HD21 ASN A 183 17.674 -14.687 -1.913 1.00 0.00 H new ATOM 0 HD22 ASN A 183 19.406 -14.351 -1.991 1.00 0.00 H new ATOM 740 N HIS A 184 19.656 -12.520 -6.517 1.00 0.00 N ATOM 741 CA HIS A 184 19.087 -12.786 -7.822 1.00 0.00 C ATOM 742 C HIS A 184 19.955 -13.813 -8.558 1.00 0.00 C ATOM 743 O HIS A 184 19.447 -14.799 -9.087 1.00 0.00 O ATOM 744 CB HIS A 184 19.036 -11.475 -8.619 1.00 0.00 C ATOM 745 CG HIS A 184 18.632 -11.699 -10.047 1.00 0.00 C ATOM 746 ND1 HIS A 184 19.253 -11.400 -11.229 1.00 0.00 N flip ATOM 747 CD2 HIS A 184 17.452 -12.333 -10.415 1.00 0.00 C flip ATOM 748 CE1 HIS A 184 18.511 -11.814 -12.319 1.00 0.00 C flip ATOM 749 NE2 HIS A 184 17.436 -12.369 -11.762 1.00 0.00 N flip ATOM 0 H HIS A 184 20.069 -11.591 -6.430 1.00 0.00 H new ATOM 0 HA HIS A 184 18.079 -13.186 -7.715 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.331 -10.791 -8.146 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.014 -10.995 -8.590 1.00 0.00 H new ATOM 0 HD2 HIS A 184 16.694 -12.722 -9.751 1.00 0.00 H new ATOM 0 HE1 HIS A 184 18.746 -11.712 -13.368 1.00 0.00 H new ATOM 0 HE2 HIS A 184 16.675 -12.781 -12.302 1.00 0.00 H new ATOM 757 N TRP A 185 21.271 -13.566 -8.598 1.00 0.00 N ATOM 758 CA TRP A 185 22.205 -14.426 -9.307 1.00 0.00 C ATOM 759 C TRP A 185 22.147 -15.858 -8.759 1.00 0.00 C ATOM 760 O TRP A 185 22.410 -16.810 -9.488 1.00 0.00 O ATOM 761 CB TRP A 185 23.624 -13.846 -9.225 1.00 0.00 C ATOM 762 CG TRP A 185 24.567 -14.388 -10.252 1.00 0.00 C ATOM 763 CD1 TRP A 185 25.696 -15.070 -10.002 1.00 0.00 C ATOM 764 CD2 TRP A 185 24.481 -14.307 -11.705 1.00 0.00 C ATOM 765 NE1 TRP A 185 26.328 -15.422 -11.172 1.00 0.00 N ATOM 766 CE2 TRP A 185 25.612 -14.978 -12.268 1.00 0.00 C ATOM 767 CE3 TRP A 185 23.562 -13.735 -12.615 1.00 0.00 C ATOM 768 CZ2 TRP A 185 25.814 -15.079 -13.648 1.00 0.00 C ATOM 769 CZ3 TRP A 185 23.763 -13.836 -14.008 1.00 0.00 C ATOM 770 CH2 TRP A 185 24.880 -14.514 -14.518 1.00 0.00 C ATOM 0 H TRP A 185 21.708 -12.767 -8.140 1.00 0.00 H new ATOM 0 HA TRP A 185 21.919 -14.468 -10.358 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.569 -12.763 -9.334 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.030 -14.046 -8.233 1.00 0.00 H new ATOM 0 HD1 TRP A 185 26.060 -15.310 -9.014 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.205 -15.940 -11.224 1.00 0.00 H new ATOM 0 HE3 TRP A 185 22.694 -13.214 -12.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 26.683 -15.589 -14.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 23.052 -13.388 -14.686 1.00 0.00 H new ATOM 0 HH2 TRP A 185 25.018 -14.599 -15.586 1.00 0.00 H new ATOM 781 N ASN A 186 21.802 -16.005 -7.475 1.00 0.00 N ATOM 782 CA ASN A 186 21.720 -17.310 -6.834 1.00 0.00 C ATOM 783 C ASN A 186 20.311 -17.902 -6.954 1.00 0.00 C ATOM 784 O ASN A 186 20.144 -19.001 -7.479 1.00 0.00 O ATOM 785 CB ASN A 186 22.110 -17.160 -5.360 1.00 0.00 C ATOM 786 CG ASN A 186 21.870 -18.458 -4.593 1.00 0.00 C ATOM 787 OD1 ASN A 186 22.715 -19.347 -4.598 1.00 0.00 O ATOM 788 ND2 ASN A 186 20.713 -18.566 -3.937 1.00 0.00 N ATOM 0 H ASN A 186 21.574 -15.224 -6.859 1.00 0.00 H new ATOM 0 HA ASN A 186 22.405 -17.995 -7.334 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.160 -16.879 -5.285 1.00 0.00 H new ATOM 0 HB3 ASN A 186 21.532 -16.354 -4.908 1.00 0.00 H new ATOM 0 HD21 ASN A 186 20.502 -19.414 -3.411 1.00 0.00 H new ATOM 0 HD22 ASN A 186 20.040 -17.800 -3.961 1.00 0.00 H new ATOM 795 N SER A 187 19.301 -17.187 -6.441 1.00 0.00 N ATOM 796 CA SER A 187 17.931 -17.693 -6.392 1.00 0.00 C ATOM 797 C SER A 187 17.153 -17.402 -7.682 1.00 0.00 C ATOM 798 O SER A 187 15.937 -17.226 -7.633 1.00 0.00 O ATOM 799 CB SER A 187 17.222 -17.071 -5.185 1.00 0.00 C ATOM 800 OG SER A 187 17.991 -17.295 -4.019 1.00 0.00 O ATOM 0 H SER A 187 19.413 -16.250 -6.053 1.00 0.00 H new ATOM 0 HA SER A 187 17.968 -18.778 -6.293 1.00 0.00 H new ATOM 0 HB2 SER A 187 17.084 -16.001 -5.342 1.00 0.00 H new ATOM 0 HB3 SER A 187 16.230 -17.507 -5.068 1.00 0.00 H new ATOM 0 HG SER A 187 18.107 -18.259 -3.884 1.00 0.00 H new ATOM 806 N THR A 188 17.836 -17.369 -8.832 1.00 0.00 N ATOM 807 CA THR A 188 17.172 -17.167 -10.120 1.00 0.00 C ATOM 808 C THR A 188 18.039 -17.749 -11.221 1.00 0.00 C ATOM 809 O THR A 188 17.618 -18.664 -11.926 1.00 0.00 O ATOM 810 CB THR A 188 16.884 -15.674 -10.373 1.00 0.00 C ATOM 811 OG1 THR A 188 16.521 -15.035 -9.169 1.00 0.00 O ATOM 812 CG2 THR A 188 15.733 -15.545 -11.373 1.00 0.00 C ATOM 0 H THR A 188 18.848 -17.480 -8.895 1.00 0.00 H new ATOM 0 HA THR A 188 16.210 -17.680 -10.109 1.00 0.00 H new ATOM 0 HB THR A 188 17.783 -15.203 -10.771 1.00 0.00 H new ATOM 0 HG1 THR A 188 15.696 -14.524 -9.306 1.00 0.00 H new ATOM 0 HG21 THR A 188 15.526 -14.491 -11.555 1.00 0.00 H new ATOM 0 HG22 THR A 188 16.010 -16.028 -12.310 1.00 0.00 H new ATOM 0 HG23 THR A 188 14.843 -16.025 -10.967 1.00 0.00 H new ATOM 820 N MET A 189 19.254 -17.226 -11.356 1.00 0.00 N ATOM 821 CA MET A 189 20.198 -17.708 -12.343 1.00 0.00 C ATOM 822 C MET A 189 20.873 -18.973 -11.807 1.00 0.00 C ATOM 823 O MET A 189 20.412 -19.543 -10.825 1.00 0.00 O ATOM 824 CB MET A 189 21.208 -16.597 -12.628 1.00 0.00 C ATOM 825 CG MET A 189 20.577 -15.533 -13.533 1.00 0.00 C ATOM 826 SD MET A 189 20.127 -16.118 -15.194 1.00 0.00 S ATOM 827 CE MET A 189 21.761 -16.600 -15.807 1.00 0.00 C ATOM 0 H MET A 189 19.605 -16.459 -10.783 1.00 0.00 H new ATOM 0 HA MET A 189 19.700 -17.966 -13.278 1.00 0.00 H new ATOM 0 HB2 MET A 189 21.535 -16.143 -11.693 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.094 -17.014 -13.107 1.00 0.00 H new ATOM 0 HG2 MET A 189 19.683 -15.144 -13.045 1.00 0.00 H new ATOM 0 HG3 MET A 189 21.274 -14.701 -13.632 1.00 0.00 H new ATOM 0 HE1 MET A 189 21.878 -16.261 -16.836 1.00 0.00 H new ATOM 0 HE2 MET A 189 22.532 -16.145 -15.185 1.00 0.00 H new ATOM 0 HE3 MET A 189 21.858 -17.685 -15.769 1.00 0.00 H new