USER MOD reduce.3.24.130724 H: found=0, std=0, add=354, rem=0, adj=7 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 : no HD1:sc= 0.463 K(o=2.1,f=0.97) USER MOD Set 1.2: A 187 SER OG : rot -86:sc= 1.07 USER MOD Set 1.3: A 188 THR OG1 : rot 141:sc= 0.543 USER MOD Set 2.1: A 159 HIS : no HD1:sc= -2.95! X(o=-3.3!,f=-3.2) USER MOD Set 2.2: A 164 ASN : amide:sc= -0.335 K(o=-3.3,f=-3.9) USER MOD Single : A 148 THR OG1 : rot 180:sc= -0.0323 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= -0.518 K(o=-0.52,f=-1.8) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 LYS NZ :NH3+ 152:sc= 0.387 (180deg=-1.12!) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 179 ASN : amide:sc= 0.0161 K(o=0.016,f=-0.72) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= -0.0688 X(o=-0.069,f=0) USER MOD Single : A 186 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 189 MET CE :methyl 174:sc= -0.33 (180deg=-0.386) USER MOD ----------------------------------------------------------------- ATOM 120 N TRP A 147 13.598 -8.481 -11.621 1.00 0.00 N ATOM 121 CA TRP A 147 14.673 -8.583 -12.597 1.00 0.00 C ATOM 122 C TRP A 147 14.105 -8.978 -13.954 1.00 0.00 C ATOM 123 O TRP A 147 13.390 -9.973 -14.060 1.00 0.00 O ATOM 124 CB TRP A 147 15.694 -9.601 -12.102 1.00 0.00 C ATOM 125 CG TRP A 147 16.529 -9.099 -10.972 1.00 0.00 C ATOM 126 CD1 TRP A 147 16.174 -9.084 -9.675 1.00 0.00 C ATOM 127 CD2 TRP A 147 17.854 -8.496 -11.017 1.00 0.00 C ATOM 128 NE1 TRP A 147 17.158 -8.519 -8.903 1.00 0.00 N ATOM 129 CE2 TRP A 147 18.230 -8.129 -9.685 1.00 0.00 C ATOM 130 CE3 TRP A 147 18.781 -8.215 -12.045 1.00 0.00 C ATOM 131 CZ2 TRP A 147 19.445 -7.508 -9.399 1.00 0.00 C ATOM 132 CZ3 TRP A 147 20.011 -7.589 -11.757 1.00 0.00 C ATOM 133 CH2 TRP A 147 20.335 -7.229 -10.441 1.00 0.00 C ATOM 0 HA TRP A 147 15.169 -7.620 -12.714 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.172 -10.504 -11.786 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.346 -9.883 -12.929 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.239 -9.466 -9.292 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.106 -8.403 -7.891 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.545 -8.483 -13.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.697 -7.245 -8.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.709 -7.385 -12.556 1.00 0.00 H new ATOM 0 HH2 TRP A 147 21.273 -6.736 -10.232 1.00 0.00 H new ATOM 144 N THR A 148 14.425 -8.195 -14.995 1.00 0.00 N ATOM 145 CA THR A 148 13.950 -8.465 -16.346 1.00 0.00 C ATOM 146 C THR A 148 15.100 -8.979 -17.213 1.00 0.00 C ATOM 147 O THR A 148 16.254 -9.008 -16.776 1.00 0.00 O ATOM 148 CB THR A 148 13.349 -7.187 -16.946 1.00 0.00 C ATOM 149 OG1 THR A 148 14.364 -6.227 -17.134 1.00 0.00 O ATOM 150 CG2 THR A 148 12.277 -6.621 -16.011 1.00 0.00 C ATOM 0 H THR A 148 15.015 -7.366 -14.918 1.00 0.00 H new ATOM 0 HA THR A 148 13.177 -9.233 -16.311 1.00 0.00 H new ATOM 0 HB THR A 148 12.894 -7.428 -17.907 1.00 0.00 H new ATOM 0 HG1 THR A 148 13.977 -5.413 -17.518 1.00 0.00 H new ATOM 0 HG21 THR A 148 11.857 -5.714 -16.446 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.486 -7.359 -15.876 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.724 -6.387 -15.045 1.00 0.00 H new ATOM 158 N GLU A 149 14.772 -9.387 -18.446 1.00 0.00 N ATOM 159 CA GLU A 149 15.753 -9.906 -19.390 1.00 0.00 C ATOM 160 C GLU A 149 16.887 -8.901 -19.591 1.00 0.00 C ATOM 161 O GLU A 149 18.051 -9.288 -19.644 1.00 0.00 O ATOM 162 CB GLU A 149 15.054 -10.194 -20.724 1.00 0.00 C ATOM 163 CG GLU A 149 14.170 -11.440 -20.598 1.00 0.00 C ATOM 164 CD GLU A 149 15.001 -12.709 -20.734 1.00 0.00 C ATOM 165 OE1 GLU A 149 15.303 -13.069 -21.891 1.00 0.00 O ATOM 166 OE2 GLU A 149 15.330 -13.297 -19.681 1.00 0.00 O ATOM 0 H GLU A 149 13.820 -9.364 -18.810 1.00 0.00 H new ATOM 0 HA GLU A 149 16.184 -10.826 -18.996 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.448 -9.337 -21.018 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.797 -10.343 -21.508 1.00 0.00 H new ATOM 0 HG2 GLU A 149 13.661 -11.435 -19.634 1.00 0.00 H new ATOM 0 HG3 GLU A 149 13.397 -11.422 -21.366 1.00 0.00 H new ATOM 173 N GLU A 150 16.546 -7.613 -19.707 1.00 0.00 N ATOM 174 CA GLU A 150 17.534 -6.567 -19.920 1.00 0.00 C ATOM 175 C GLU A 150 18.624 -6.645 -18.850 1.00 0.00 C ATOM 176 O GLU A 150 19.803 -6.795 -19.176 1.00 0.00 O ATOM 177 CB GLU A 150 16.843 -5.200 -19.899 1.00 0.00 C ATOM 178 CG GLU A 150 15.903 -5.078 -21.104 1.00 0.00 C ATOM 179 CD GLU A 150 15.311 -3.677 -21.191 1.00 0.00 C ATOM 180 OE1 GLU A 150 16.091 -2.749 -21.502 1.00 0.00 O ATOM 181 OE2 GLU A 150 14.090 -3.560 -20.948 1.00 0.00 O ATOM 0 H GLU A 150 15.585 -7.275 -19.656 1.00 0.00 H new ATOM 0 HA GLU A 150 18.006 -6.705 -20.893 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.280 -5.080 -18.973 1.00 0.00 H new ATOM 0 HB3 GLU A 150 17.588 -4.405 -19.925 1.00 0.00 H new ATOM 0 HG2 GLU A 150 16.448 -5.304 -22.020 1.00 0.00 H new ATOM 0 HG3 GLU A 150 15.101 -5.812 -21.021 1.00 0.00 H new ATOM 188 N GLU A 151 18.233 -6.549 -17.574 1.00 0.00 N ATOM 189 CA GLU A 151 19.184 -6.603 -16.477 1.00 0.00 C ATOM 190 C GLU A 151 19.937 -7.934 -16.479 1.00 0.00 C ATOM 191 O GLU A 151 21.127 -7.961 -16.196 1.00 0.00 O ATOM 192 CB GLU A 151 18.456 -6.417 -15.142 1.00 0.00 C ATOM 193 CG GLU A 151 17.938 -4.980 -15.010 1.00 0.00 C ATOM 194 CD GLU A 151 16.462 -4.892 -15.368 1.00 0.00 C ATOM 195 OE1 GLU A 151 15.679 -5.649 -14.746 1.00 0.00 O ATOM 196 OE2 GLU A 151 16.141 -4.074 -16.250 1.00 0.00 O ATOM 0 H GLU A 151 17.262 -6.434 -17.284 1.00 0.00 H new ATOM 0 HA GLU A 151 19.906 -5.797 -16.607 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.624 -7.118 -15.074 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.132 -6.644 -14.317 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.089 -4.629 -13.989 1.00 0.00 H new ATOM 0 HG3 GLU A 151 18.513 -4.322 -15.662 1.00 0.00 H new ATOM 203 N ASP A 152 19.240 -9.034 -16.790 1.00 0.00 N ATOM 204 CA ASP A 152 19.842 -10.364 -16.783 1.00 0.00 C ATOM 205 C ASP A 152 21.077 -10.421 -17.693 1.00 0.00 C ATOM 206 O ASP A 152 22.145 -10.850 -17.254 1.00 0.00 O ATOM 207 CB ASP A 152 18.800 -11.395 -17.221 1.00 0.00 C ATOM 208 CG ASP A 152 19.344 -12.808 -17.088 1.00 0.00 C ATOM 209 OD1 ASP A 152 20.016 -13.255 -18.049 1.00 0.00 O ATOM 210 OD2 ASP A 152 19.079 -13.422 -16.036 1.00 0.00 O ATOM 0 H ASP A 152 18.254 -9.024 -17.050 1.00 0.00 H new ATOM 0 HA ASP A 152 20.173 -10.593 -15.770 1.00 0.00 H new ATOM 0 HB2 ASP A 152 17.901 -11.289 -16.614 1.00 0.00 H new ATOM 0 HB3 ASP A 152 18.511 -11.208 -18.255 1.00 0.00 H new ATOM 215 N ARG A 153 20.937 -10.003 -18.960 1.00 0.00 N ATOM 216 CA ARG A 153 22.049 -10.054 -19.906 1.00 0.00 C ATOM 217 C ARG A 153 23.228 -9.228 -19.388 1.00 0.00 C ATOM 218 O ARG A 153 24.358 -9.719 -19.346 1.00 0.00 O ATOM 219 CB ARG A 153 21.612 -9.535 -21.289 1.00 0.00 C ATOM 220 CG ARG A 153 20.418 -10.329 -21.845 1.00 0.00 C ATOM 221 CD ARG A 153 20.714 -11.836 -21.874 1.00 0.00 C ATOM 222 NE ARG A 153 19.975 -12.534 -20.808 1.00 0.00 N ATOM 223 CZ ARG A 153 18.665 -12.833 -20.898 1.00 0.00 C ATOM 224 NH1 ARG A 153 17.968 -12.478 -21.983 1.00 0.00 N ATOM 225 NH2 ARG A 153 18.063 -13.483 -19.899 1.00 0.00 N ATOM 0 H ARG A 153 20.070 -9.630 -19.346 1.00 0.00 H new ATOM 0 HA ARG A 153 22.362 -11.093 -20.007 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.344 -8.481 -21.214 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.449 -9.603 -21.984 1.00 0.00 H new ATOM 0 HG2 ARG A 153 19.537 -10.141 -21.232 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.185 -9.983 -22.852 1.00 0.00 H new ATOM 0 HD2 ARG A 153 20.436 -12.247 -22.845 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.784 -12.004 -21.751 1.00 0.00 H new ATOM 0 HE ARG A 153 20.479 -12.803 -19.963 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.429 -11.980 -22.745 1.00 0.00 H new ATOM 0 HH12 ARG A 153 16.976 -12.706 -22.049 1.00 0.00 H new ATOM 0 HH21 ARG A 153 18.595 -13.751 -19.071 1.00 0.00 H new ATOM 0 HH22 ARG A 153 17.071 -13.711 -19.964 1.00 0.00 H new ATOM 239 N ILE A 154 22.964 -7.972 -19.000 1.00 0.00 N ATOM 240 CA ILE A 154 24.006 -7.079 -18.505 1.00 0.00 C ATOM 241 C ILE A 154 24.683 -7.695 -17.279 1.00 0.00 C ATOM 242 O ILE A 154 25.902 -7.659 -17.155 1.00 0.00 O ATOM 243 CB ILE A 154 23.383 -5.703 -18.179 1.00 0.00 C ATOM 244 CG1 ILE A 154 23.488 -4.785 -19.405 1.00 0.00 C ATOM 245 CG2 ILE A 154 24.124 -5.041 -17.009 1.00 0.00 C ATOM 246 CD1 ILE A 154 22.646 -5.330 -20.560 1.00 0.00 C ATOM 0 H ILE A 154 22.033 -7.556 -19.022 1.00 0.00 H new ATOM 0 HA ILE A 154 24.771 -6.938 -19.268 1.00 0.00 H new ATOM 0 HB ILE A 154 22.338 -5.855 -17.908 1.00 0.00 H new ATOM 0 HG12 ILE A 154 23.151 -3.782 -19.144 1.00 0.00 H new ATOM 0 HG13 ILE A 154 24.530 -4.701 -19.715 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.672 -4.073 -16.793 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.055 -5.678 -16.127 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.172 -4.901 -17.275 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.734 -4.665 -21.419 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.001 -6.324 -20.832 1.00 0.00 H new ATOM 0 HD13 ILE A 154 21.602 -5.390 -20.253 1.00 0.00 H new ATOM 258 N LEU A 155 23.885 -8.258 -16.377 1.00 0.00 N ATOM 259 CA LEU A 155 24.393 -8.866 -15.160 1.00 0.00 C ATOM 260 C LEU A 155 25.394 -9.972 -15.500 1.00 0.00 C ATOM 261 O LEU A 155 26.452 -10.057 -14.882 1.00 0.00 O ATOM 262 CB LEU A 155 23.204 -9.415 -14.348 1.00 0.00 C ATOM 263 CG LEU A 155 23.658 -9.960 -12.983 1.00 0.00 C ATOM 264 CD1 LEU A 155 24.219 -8.830 -12.118 1.00 0.00 C ATOM 265 CD2 LEU A 155 22.454 -10.584 -12.272 1.00 0.00 C ATOM 0 H LEU A 155 22.870 -8.304 -16.472 1.00 0.00 H new ATOM 0 HA LEU A 155 24.919 -8.123 -14.560 1.00 0.00 H new ATOM 0 HB2 LEU A 155 22.468 -8.625 -14.199 1.00 0.00 H new ATOM 0 HB3 LEU A 155 22.712 -10.207 -14.912 1.00 0.00 H new ATOM 0 HG LEU A 155 24.437 -10.707 -13.138 1.00 0.00 H new ATOM 0 HD11 LEU A 155 24.536 -9.232 -11.155 1.00 0.00 H new ATOM 0 HD12 LEU A 155 25.073 -8.377 -12.621 1.00 0.00 H new ATOM 0 HD13 LEU A 155 23.448 -8.076 -11.960 1.00 0.00 H new ATOM 0 HD21 LEU A 155 22.766 -10.974 -11.303 1.00 0.00 H new ATOM 0 HD22 LEU A 155 21.684 -9.826 -12.128 1.00 0.00 H new ATOM 0 HD23 LEU A 155 22.055 -11.397 -12.878 1.00 0.00 H new ATOM 277 N TYR A 156 25.058 -10.823 -16.479 1.00 0.00 N ATOM 278 CA TYR A 156 25.912 -11.944 -16.850 1.00 0.00 C ATOM 279 C TYR A 156 27.185 -11.473 -17.553 1.00 0.00 C ATOM 280 O TYR A 156 28.286 -11.819 -17.122 1.00 0.00 O ATOM 281 CB TYR A 156 25.123 -12.920 -17.735 1.00 0.00 C ATOM 282 CG TYR A 156 25.595 -14.357 -17.636 1.00 0.00 C ATOM 283 CD1 TYR A 156 26.891 -14.710 -18.062 1.00 0.00 C ATOM 284 CD2 TYR A 156 24.736 -15.345 -17.119 1.00 0.00 C ATOM 285 CE1 TYR A 156 27.326 -16.041 -17.960 1.00 0.00 C ATOM 286 CE2 TYR A 156 25.174 -16.677 -17.018 1.00 0.00 C ATOM 287 CZ TYR A 156 26.468 -17.024 -17.439 1.00 0.00 C ATOM 288 OH TYR A 156 26.892 -18.317 -17.338 1.00 0.00 O ATOM 0 H TYR A 156 24.199 -10.751 -17.025 1.00 0.00 H new ATOM 0 HA TYR A 156 26.223 -12.458 -15.940 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.069 -12.874 -17.460 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.196 -12.594 -18.773 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.550 -13.956 -18.467 1.00 0.00 H new ATOM 0 HD2 TYR A 156 23.739 -15.079 -16.799 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.321 -16.309 -18.282 1.00 0.00 H new ATOM 0 HE2 TYR A 156 24.516 -17.433 -16.617 1.00 0.00 H new ATOM 0 HH TYR A 156 26.176 -18.867 -16.956 1.00 0.00 H new ATOM 298 N GLN A 157 27.050 -10.698 -18.638 1.00 0.00 N ATOM 299 CA GLN A 157 28.214 -10.248 -19.394 1.00 0.00 C ATOM 300 C GLN A 157 29.144 -9.417 -18.501 1.00 0.00 C ATOM 301 O GLN A 157 30.354 -9.403 -18.720 1.00 0.00 O ATOM 302 CB GLN A 157 27.772 -9.477 -20.652 1.00 0.00 C ATOM 303 CG GLN A 157 27.150 -8.123 -20.288 1.00 0.00 C ATOM 304 CD GLN A 157 28.187 -7.003 -20.321 1.00 0.00 C ATOM 305 OE1 GLN A 157 28.501 -6.411 -19.293 1.00 0.00 O ATOM 306 NE2 GLN A 157 28.716 -6.708 -21.508 1.00 0.00 N ATOM 0 H GLN A 157 26.154 -10.376 -19.004 1.00 0.00 H new ATOM 0 HA GLN A 157 28.780 -11.117 -19.730 1.00 0.00 H new ATOM 0 HB2 GLN A 157 28.630 -9.321 -21.305 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.050 -10.072 -21.211 1.00 0.00 H new ATOM 0 HG2 GLN A 157 26.343 -7.893 -20.984 1.00 0.00 H new ATOM 0 HG3 GLN A 157 26.707 -8.181 -19.294 1.00 0.00 H new ATOM 0 HE21 GLN A 157 28.427 -7.225 -22.338 1.00 0.00 H new ATOM 0 HE22 GLN A 157 29.410 -5.965 -21.586 1.00 0.00 H new ATOM 315 N ALA A 158 28.585 -8.736 -17.491 1.00 0.00 N ATOM 316 CA ALA A 158 29.378 -7.936 -16.570 1.00 0.00 C ATOM 317 C ALA A 158 30.095 -8.837 -15.576 1.00 0.00 C ATOM 318 O ALA A 158 31.270 -8.629 -15.290 1.00 0.00 O ATOM 319 CB ALA A 158 28.466 -6.974 -15.813 1.00 0.00 C ATOM 0 H ALA A 158 27.584 -8.728 -17.298 1.00 0.00 H new ATOM 0 HA ALA A 158 30.117 -7.372 -17.139 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.061 -6.375 -15.123 1.00 0.00 H new ATOM 0 HB2 ALA A 158 27.962 -6.317 -16.522 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.723 -7.542 -15.253 1.00 0.00 H new ATOM 325 N HIS A 159 29.375 -9.828 -15.036 1.00 0.00 N ATOM 326 CA HIS A 159 29.908 -10.715 -14.018 1.00 0.00 C ATOM 327 C HIS A 159 31.290 -11.243 -14.383 1.00 0.00 C ATOM 328 O HIS A 159 32.218 -11.122 -13.596 1.00 0.00 O ATOM 329 CB HIS A 159 28.948 -11.881 -13.793 1.00 0.00 C ATOM 330 CG HIS A 159 29.367 -12.707 -12.614 1.00 0.00 C ATOM 331 ND1 HIS A 159 29.662 -14.061 -12.699 1.00 0.00 N ATOM 332 CD2 HIS A 159 29.566 -12.381 -11.305 1.00 0.00 C ATOM 333 CE1 HIS A 159 30.005 -14.460 -11.457 1.00 0.00 C ATOM 334 NE2 HIS A 159 29.967 -13.478 -10.554 1.00 0.00 N ATOM 0 H HIS A 159 28.410 -10.030 -15.298 1.00 0.00 H new ATOM 0 HA HIS A 159 30.011 -10.137 -13.099 1.00 0.00 H new ATOM 0 HB2 HIS A 159 27.939 -11.500 -13.634 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.915 -12.506 -14.685 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.428 -11.389 -10.901 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.283 -15.475 -11.217 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.180 -13.522 -9.557 1.00 0.00 H new ATOM 342 N LYS A 160 31.425 -11.847 -15.562 1.00 0.00 N ATOM 343 CA LYS A 160 32.684 -12.459 -15.965 1.00 0.00 C ATOM 344 C LYS A 160 33.761 -11.398 -16.212 1.00 0.00 C ATOM 345 O LYS A 160 34.929 -11.627 -15.906 1.00 0.00 O ATOM 346 CB LYS A 160 32.460 -13.334 -17.209 1.00 0.00 C ATOM 347 CG LYS A 160 32.107 -12.471 -18.428 1.00 0.00 C ATOM 348 CD LYS A 160 31.672 -13.376 -19.583 1.00 0.00 C ATOM 349 CE LYS A 160 31.513 -12.544 -20.858 1.00 0.00 C ATOM 350 NZ LYS A 160 31.032 -13.375 -21.977 1.00 0.00 N ATOM 0 H LYS A 160 30.678 -11.924 -16.252 1.00 0.00 H new ATOM 0 HA LYS A 160 33.042 -13.094 -15.155 1.00 0.00 H new ATOM 0 HB2 LYS A 160 33.359 -13.914 -17.417 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.658 -14.047 -17.018 1.00 0.00 H new ATOM 0 HG2 LYS A 160 31.307 -11.775 -18.175 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.968 -11.872 -18.725 1.00 0.00 H new ATOM 0 HD2 LYS A 160 32.411 -14.162 -19.740 1.00 0.00 H new ATOM 0 HD3 LYS A 160 30.730 -13.867 -19.338 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.812 -11.729 -20.679 1.00 0.00 H new ATOM 0 HE3 LYS A 160 32.469 -12.091 -21.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 30.933 -12.787 -22.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 31.714 -14.138 -22.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 30.109 -13.787 -21.732 1.00 0.00 H new ATOM 364 N ARG A 161 33.375 -10.241 -16.764 1.00 0.00 N ATOM 365 CA ARG A 161 34.324 -9.174 -17.048 1.00 0.00 C ATOM 366 C ARG A 161 34.913 -8.634 -15.745 1.00 0.00 C ATOM 367 O ARG A 161 36.115 -8.387 -15.664 1.00 0.00 O ATOM 368 CB ARG A 161 33.621 -8.052 -17.821 1.00 0.00 C ATOM 369 CG ARG A 161 33.410 -8.477 -19.276 1.00 0.00 C ATOM 370 CD ARG A 161 32.612 -7.400 -20.020 1.00 0.00 C ATOM 371 NE ARG A 161 33.322 -6.111 -20.021 1.00 0.00 N ATOM 372 CZ ARG A 161 34.366 -5.841 -20.825 1.00 0.00 C ATOM 373 NH1 ARG A 161 34.815 -6.763 -21.688 1.00 0.00 N ATOM 374 NH2 ARG A 161 34.960 -4.641 -20.763 1.00 0.00 N ATOM 0 H ARG A 161 32.411 -10.026 -17.020 1.00 0.00 H new ATOM 0 HA ARG A 161 35.137 -9.569 -17.657 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.662 -7.824 -17.357 1.00 0.00 H new ATOM 0 HB3 ARG A 161 34.219 -7.141 -17.782 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.373 -8.631 -19.763 1.00 0.00 H new ATOM 0 HG3 ARG A 161 32.878 -9.428 -19.313 1.00 0.00 H new ATOM 0 HD2 ARG A 161 32.435 -7.720 -21.047 1.00 0.00 H new ATOM 0 HD3 ARG A 161 31.636 -7.279 -19.551 1.00 0.00 H new ATOM 0 HE ARG A 161 33.006 -5.384 -19.379 1.00 0.00 H new ATOM 0 HH11 ARG A 161 34.364 -7.677 -21.738 1.00 0.00 H new ATOM 0 HH12 ARG A 161 35.607 -6.551 -22.295 1.00 0.00 H new ATOM 0 HH21 ARG A 161 34.620 -3.937 -20.108 1.00 0.00 H new ATOM 0 HH22 ARG A 161 35.752 -4.432 -21.371 1.00 0.00 H new ATOM 388 N LEU A 162 34.061 -8.448 -14.732 1.00 0.00 N ATOM 389 CA LEU A 162 34.481 -7.912 -13.444 1.00 0.00 C ATOM 390 C LEU A 162 34.842 -9.048 -12.478 1.00 0.00 C ATOM 391 O LEU A 162 35.233 -8.784 -11.337 1.00 0.00 O ATOM 392 CB LEU A 162 33.337 -7.066 -12.859 1.00 0.00 C ATOM 393 CG LEU A 162 33.322 -5.637 -13.445 1.00 0.00 C ATOM 394 CD1 LEU A 162 34.594 -4.877 -13.052 1.00 0.00 C ATOM 395 CD2 LEU A 162 33.198 -5.684 -14.971 1.00 0.00 C ATOM 0 H LEU A 162 33.066 -8.665 -14.786 1.00 0.00 H new ATOM 0 HA LEU A 162 35.366 -7.292 -13.584 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.384 -7.553 -13.064 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.441 -7.013 -11.775 1.00 0.00 H new ATOM 0 HG LEU A 162 32.459 -5.113 -13.035 1.00 0.00 H new ATOM 0 HD11 LEU A 162 34.563 -3.873 -13.475 1.00 0.00 H new ATOM 0 HD12 LEU A 162 34.658 -4.811 -11.966 1.00 0.00 H new ATOM 0 HD13 LEU A 162 35.467 -5.406 -13.435 1.00 0.00 H new ATOM 0 HD21 LEU A 162 33.189 -4.668 -15.367 1.00 0.00 H new ATOM 0 HD22 LEU A 162 34.045 -6.229 -15.388 1.00 0.00 H new ATOM 0 HD23 LEU A 162 32.272 -6.189 -15.245 1.00 0.00 H new ATOM 407 N GLY A 163 34.709 -10.305 -12.922 1.00 0.00 N ATOM 408 CA GLY A 163 35.004 -11.459 -12.091 1.00 0.00 C ATOM 409 C GLY A 163 33.897 -11.657 -11.056 1.00 0.00 C ATOM 410 O GLY A 163 33.078 -12.565 -11.187 1.00 0.00 O ATOM 0 H GLY A 163 34.395 -10.540 -13.864 1.00 0.00 H new ATOM 0 HA2 GLY A 163 35.096 -12.350 -12.712 1.00 0.00 H new ATOM 0 HA3 GLY A 163 35.962 -11.320 -11.589 1.00 0.00 H new ATOM 414 N ASN A 164 33.882 -10.803 -10.026 1.00 0.00 N ATOM 415 CA ASN A 164 32.887 -10.871 -8.962 1.00 0.00 C ATOM 416 C ASN A 164 32.822 -9.523 -8.228 1.00 0.00 C ATOM 417 O ASN A 164 32.425 -9.464 -7.065 1.00 0.00 O ATOM 418 CB ASN A 164 33.262 -12.017 -8.015 1.00 0.00 C ATOM 419 CG ASN A 164 32.122 -12.349 -7.054 1.00 0.00 C ATOM 420 OD1 ASN A 164 31.098 -12.885 -7.464 1.00 0.00 O ATOM 421 ND2 ASN A 164 32.302 -12.033 -5.770 1.00 0.00 N ATOM 0 H ASN A 164 34.559 -10.049 -9.911 1.00 0.00 H new ATOM 0 HA ASN A 164 31.896 -11.069 -9.372 1.00 0.00 H new ATOM 0 HB2 ASN A 164 33.517 -12.902 -8.598 1.00 0.00 H new ATOM 0 HB3 ASN A 164 34.150 -11.743 -7.446 1.00 0.00 H new ATOM 0 HD21 ASN A 164 31.572 -12.237 -5.087 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.170 -11.588 -5.471 1.00 0.00 H new ATOM 428 N ARG A 165 33.209 -8.435 -8.915 1.00 0.00 N ATOM 429 CA ARG A 165 33.177 -7.099 -8.335 1.00 0.00 C ATOM 430 C ARG A 165 31.749 -6.555 -8.417 1.00 0.00 C ATOM 431 O ARG A 165 31.476 -5.622 -9.163 1.00 0.00 O ATOM 432 CB ARG A 165 34.165 -6.198 -9.092 1.00 0.00 C ATOM 433 CG ARG A 165 34.510 -4.964 -8.251 1.00 0.00 C ATOM 434 CD ARG A 165 35.690 -5.281 -7.329 1.00 0.00 C ATOM 435 NE ARG A 165 36.025 -4.125 -6.485 1.00 0.00 N ATOM 436 CZ ARG A 165 35.328 -3.786 -5.385 1.00 0.00 C ATOM 437 NH1 ARG A 165 34.273 -4.516 -4.996 1.00 0.00 N ATOM 438 NH2 ARG A 165 35.691 -2.710 -4.674 1.00 0.00 N ATOM 0 H ARG A 165 33.548 -8.464 -9.877 1.00 0.00 H new ATOM 0 HA ARG A 165 33.475 -7.127 -7.287 1.00 0.00 H new ATOM 0 HB2 ARG A 165 35.073 -6.755 -9.322 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.731 -5.889 -10.043 1.00 0.00 H new ATOM 0 HG2 ARG A 165 34.760 -4.126 -8.902 1.00 0.00 H new ATOM 0 HG3 ARG A 165 33.645 -4.661 -7.660 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.445 -6.136 -6.699 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.557 -5.563 -7.926 1.00 0.00 H new ATOM 0 HE ARG A 165 36.826 -3.551 -6.746 1.00 0.00 H new ATOM 0 HH11 ARG A 165 33.993 -5.335 -5.535 1.00 0.00 H new ATOM 0 HH12 ARG A 165 33.750 -4.252 -4.161 1.00 0.00 H new ATOM 0 HH21 ARG A 165 36.493 -2.152 -4.967 1.00 0.00 H new ATOM 0 HH22 ARG A 165 35.166 -2.449 -3.840 1.00 0.00 H new ATOM 452 N TRP A 166 30.842 -7.161 -7.644 1.00 0.00 N ATOM 453 CA TRP A 166 29.430 -6.797 -7.635 1.00 0.00 C ATOM 454 C TRP A 166 29.233 -5.286 -7.468 1.00 0.00 C ATOM 455 O TRP A 166 28.394 -4.697 -8.150 1.00 0.00 O ATOM 456 CB TRP A 166 28.738 -7.577 -6.525 1.00 0.00 C ATOM 457 CG TRP A 166 28.673 -9.056 -6.768 1.00 0.00 C ATOM 458 CD1 TRP A 166 29.171 -10.008 -5.963 1.00 0.00 C ATOM 459 CD2 TRP A 166 28.081 -9.779 -7.892 1.00 0.00 C ATOM 460 NE1 TRP A 166 28.925 -11.259 -6.466 1.00 0.00 N ATOM 461 CE2 TRP A 166 28.242 -11.181 -7.662 1.00 0.00 C ATOM 462 CE3 TRP A 166 27.422 -9.402 -9.086 1.00 0.00 C ATOM 463 CZ2 TRP A 166 27.761 -12.147 -8.548 1.00 0.00 C ATOM 464 CZ3 TRP A 166 26.939 -10.377 -9.985 1.00 0.00 C ATOM 465 CH2 TRP A 166 27.103 -11.743 -9.712 1.00 0.00 C ATOM 0 H TRP A 166 31.073 -7.922 -7.005 1.00 0.00 H new ATOM 0 HA TRP A 166 28.985 -7.056 -8.596 1.00 0.00 H new ATOM 0 HB2 TRP A 166 29.262 -7.396 -5.587 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.725 -7.194 -6.403 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.697 -9.814 -5.040 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.209 -12.130 -6.017 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.287 -8.355 -9.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.896 -13.197 -8.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.439 -10.069 -10.891 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.721 -12.482 -10.401 1.00 0.00 H new ATOM 476 N ALA A 167 29.999 -4.663 -6.568 1.00 0.00 N ATOM 477 CA ALA A 167 29.892 -3.230 -6.322 1.00 0.00 C ATOM 478 C ALA A 167 30.093 -2.440 -7.620 1.00 0.00 C ATOM 479 O ALA A 167 29.418 -1.437 -7.846 1.00 0.00 O ATOM 480 CB ALA A 167 30.934 -2.822 -5.280 1.00 0.00 C ATOM 0 H ALA A 167 30.701 -5.134 -5.998 1.00 0.00 H new ATOM 0 HA ALA A 167 28.894 -3.004 -5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 167 30.860 -1.751 -5.091 1.00 0.00 H new ATOM 0 HB2 ALA A 167 30.755 -3.367 -4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 167 31.931 -3.056 -5.652 1.00 0.00 H new ATOM 486 N GLU A 168 31.026 -2.892 -8.467 1.00 0.00 N ATOM 487 CA GLU A 168 31.329 -2.219 -9.723 1.00 0.00 C ATOM 488 C GLU A 168 30.325 -2.636 -10.801 1.00 0.00 C ATOM 489 O GLU A 168 29.909 -1.810 -11.610 1.00 0.00 O ATOM 490 CB GLU A 168 32.766 -2.570 -10.134 1.00 0.00 C ATOM 491 CG GLU A 168 33.149 -1.868 -11.443 1.00 0.00 C ATOM 492 CD GLU A 168 32.951 -0.360 -11.352 1.00 0.00 C ATOM 493 OE1 GLU A 168 33.308 0.205 -10.296 1.00 0.00 O ATOM 494 OE2 GLU A 168 32.442 0.206 -12.342 1.00 0.00 O ATOM 0 H GLU A 168 31.585 -3.728 -8.297 1.00 0.00 H new ATOM 0 HA GLU A 168 31.248 -1.139 -9.600 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.457 -2.276 -9.344 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.861 -3.649 -10.254 1.00 0.00 H new ATOM 0 HG2 GLU A 168 34.190 -2.085 -11.681 1.00 0.00 H new ATOM 0 HG3 GLU A 168 32.546 -2.266 -12.259 1.00 0.00 H new ATOM 501 N ILE A 169 29.937 -3.917 -10.812 1.00 0.00 N ATOM 502 CA ILE A 169 28.988 -4.434 -11.792 1.00 0.00 C ATOM 503 C ILE A 169 27.680 -3.640 -11.734 1.00 0.00 C ATOM 504 O ILE A 169 27.053 -3.404 -12.766 1.00 0.00 O ATOM 505 CB ILE A 169 28.743 -5.929 -11.525 1.00 0.00 C ATOM 506 CG1 ILE A 169 29.982 -6.732 -11.959 1.00 0.00 C ATOM 507 CG2 ILE A 169 27.513 -6.405 -12.312 1.00 0.00 C ATOM 508 CD1 ILE A 169 29.989 -8.110 -11.292 1.00 0.00 C ATOM 0 H ILE A 169 30.271 -4.614 -10.147 1.00 0.00 H new ATOM 0 HA ILE A 169 29.400 -4.322 -12.795 1.00 0.00 H new ATOM 0 HB ILE A 169 28.563 -6.083 -10.461 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.987 -6.846 -13.043 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.888 -6.187 -11.692 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.345 -7.464 -12.119 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.638 -5.836 -11.999 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.682 -6.253 -13.378 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.872 -8.664 -11.610 1.00 0.00 H new ATOM 0 HD12 ILE A 169 30.007 -7.990 -10.209 1.00 0.00 H new ATOM 0 HD13 ILE A 169 29.093 -8.659 -11.581 1.00 0.00 H new ATOM 520 N ALA A 170 27.266 -3.226 -10.526 1.00 0.00 N ATOM 521 CA ALA A 170 26.026 -2.480 -10.358 1.00 0.00 C ATOM 522 C ALA A 170 26.075 -1.135 -11.091 1.00 0.00 C ATOM 523 O ALA A 170 25.042 -0.504 -11.271 1.00 0.00 O ATOM 524 CB ALA A 170 25.739 -2.265 -8.878 1.00 0.00 C ATOM 0 H ALA A 170 27.775 -3.398 -9.659 1.00 0.00 H new ATOM 0 HA ALA A 170 25.220 -3.068 -10.797 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.810 -1.706 -8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.644 -3.231 -8.382 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.557 -1.704 -8.427 1.00 0.00 H new ATOM 530 N LYS A 171 27.261 -0.690 -11.531 1.00 0.00 N ATOM 531 CA LYS A 171 27.369 0.554 -12.283 1.00 0.00 C ATOM 532 C LYS A 171 26.537 0.435 -13.564 1.00 0.00 C ATOM 533 O LYS A 171 25.974 1.421 -14.035 1.00 0.00 O ATOM 534 CB LYS A 171 28.838 0.843 -12.607 1.00 0.00 C ATOM 535 CG LYS A 171 28.975 2.278 -13.143 1.00 0.00 C ATOM 536 CD LYS A 171 30.436 2.572 -13.519 1.00 0.00 C ATOM 537 CE LYS A 171 31.154 3.288 -12.365 1.00 0.00 C ATOM 538 NZ LYS A 171 31.307 2.406 -11.194 1.00 0.00 N ATOM 0 H LYS A 171 28.147 -1.172 -11.378 1.00 0.00 H new ATOM 0 HA LYS A 171 26.987 1.384 -11.689 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.449 0.718 -11.713 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.205 0.131 -13.347 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.335 2.410 -14.015 1.00 0.00 H new ATOM 0 HG3 LYS A 171 28.637 2.989 -12.389 1.00 0.00 H new ATOM 0 HD2 LYS A 171 30.952 1.641 -13.754 1.00 0.00 H new ATOM 0 HD3 LYS A 171 30.470 3.191 -14.416 1.00 0.00 H new ATOM 0 HE2 LYS A 171 32.135 3.625 -12.699 1.00 0.00 H new ATOM 0 HE3 LYS A 171 30.591 4.177 -12.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.148 2.691 -10.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 30.464 2.482 -10.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 31.417 1.422 -11.512 1.00 0.00 H new ATOM 552 N LEU A 172 26.460 -0.786 -14.117 1.00 0.00 N ATOM 553 CA LEU A 172 25.689 -1.051 -15.320 1.00 0.00 C ATOM 554 C LEU A 172 24.225 -1.335 -14.958 1.00 0.00 C ATOM 555 O LEU A 172 23.372 -1.397 -15.843 1.00 0.00 O ATOM 556 CB LEU A 172 26.295 -2.251 -16.063 1.00 0.00 C ATOM 557 CG LEU A 172 27.727 -1.930 -16.525 1.00 0.00 C ATOM 558 CD1 LEU A 172 28.745 -2.539 -15.553 1.00 0.00 C ATOM 559 CD2 LEU A 172 27.953 -2.518 -17.921 1.00 0.00 C ATOM 0 H LEU A 172 26.932 -1.607 -13.737 1.00 0.00 H new ATOM 0 HA LEU A 172 25.721 -0.175 -15.968 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.304 -3.124 -15.410 1.00 0.00 H new ATOM 0 HB3 LEU A 172 25.676 -2.503 -16.924 1.00 0.00 H new ATOM 0 HG LEU A 172 27.858 -0.848 -16.550 1.00 0.00 H new ATOM 0 HD11 LEU A 172 29.755 -2.305 -15.890 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.590 -2.124 -14.557 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.615 -3.621 -15.520 1.00 0.00 H new ATOM 0 HD21 LEU A 172 28.967 -2.292 -18.251 1.00 0.00 H new ATOM 0 HD22 LEU A 172 27.815 -3.599 -17.887 1.00 0.00 H new ATOM 0 HD23 LEU A 172 27.239 -2.082 -18.619 1.00 0.00 H new ATOM 571 N LEU A 173 23.938 -1.510 -13.654 1.00 0.00 N ATOM 572 CA LEU A 173 22.591 -1.801 -13.172 1.00 0.00 C ATOM 573 C LEU A 173 22.180 -0.756 -12.133 1.00 0.00 C ATOM 574 O LEU A 173 22.349 -0.985 -10.936 1.00 0.00 O ATOM 575 CB LEU A 173 22.563 -3.206 -12.559 1.00 0.00 C ATOM 576 CG LEU A 173 22.832 -4.266 -13.639 1.00 0.00 C ATOM 577 CD1 LEU A 173 23.270 -5.565 -12.971 1.00 0.00 C ATOM 578 CD2 LEU A 173 21.559 -4.517 -14.451 1.00 0.00 C ATOM 0 H LEU A 173 24.637 -1.452 -12.914 1.00 0.00 H new ATOM 0 HA LEU A 173 21.886 -1.763 -14.002 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.313 -3.281 -11.771 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.594 -3.388 -12.095 1.00 0.00 H new ATOM 0 HG LEU A 173 23.618 -3.910 -14.305 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.462 -6.320 -13.734 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.180 -5.390 -12.397 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.482 -5.915 -12.304 1.00 0.00 H new ATOM 0 HD21 LEU A 173 21.757 -5.269 -15.215 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.769 -4.871 -13.789 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.243 -3.589 -14.929 1.00 0.00 H new ATOM 590 N PRO A 174 21.635 0.397 -12.584 1.00 0.00 N ATOM 591 CA PRO A 174 21.220 1.462 -11.695 1.00 0.00 C ATOM 592 C PRO A 174 20.311 0.928 -10.598 1.00 0.00 C ATOM 593 O PRO A 174 19.394 0.151 -10.863 1.00 0.00 O ATOM 594 CB PRO A 174 20.512 2.493 -12.578 1.00 0.00 C ATOM 595 CG PRO A 174 20.770 2.078 -14.031 1.00 0.00 C ATOM 596 CD PRO A 174 21.411 0.690 -13.986 1.00 0.00 C ATOM 0 HA PRO A 174 22.067 1.915 -11.180 1.00 0.00 H new ATOM 0 HB2 PRO A 174 19.443 2.516 -12.366 1.00 0.00 H new ATOM 0 HB3 PRO A 174 20.896 3.495 -12.387 1.00 0.00 H new ATOM 0 HG2 PRO A 174 19.839 2.056 -14.598 1.00 0.00 H new ATOM 0 HG3 PRO A 174 21.428 2.792 -14.526 1.00 0.00 H new ATOM 0 HD2 PRO A 174 20.759 -0.056 -14.441 1.00 0.00 H new ATOM 0 HD3 PRO A 174 22.348 0.675 -14.542 1.00 0.00 H new ATOM 604 N GLY A 175 20.579 1.347 -9.361 1.00 0.00 N ATOM 605 CA GLY A 175 19.828 0.893 -8.214 1.00 0.00 C ATOM 606 C GLY A 175 20.322 -0.488 -7.805 1.00 0.00 C ATOM 607 O GLY A 175 21.528 -0.732 -7.779 1.00 0.00 O ATOM 0 H GLY A 175 21.322 2.009 -9.137 1.00 0.00 H new ATOM 0 HA2 GLY A 175 19.945 1.594 -7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 175 18.765 0.856 -8.452 1.00 0.00 H new ATOM 611 N ARG A 176 19.382 -1.386 -7.489 1.00 0.00 N ATOM 612 CA ARG A 176 19.694 -2.752 -7.063 1.00 0.00 C ATOM 613 C ARG A 176 20.606 -2.728 -5.822 1.00 0.00 C ATOM 614 O ARG A 176 20.928 -1.664 -5.295 1.00 0.00 O ATOM 615 CB ARG A 176 20.367 -3.528 -8.214 1.00 0.00 C ATOM 616 CG ARG A 176 19.540 -3.439 -9.508 1.00 0.00 C ATOM 617 CD ARG A 176 18.171 -4.103 -9.319 1.00 0.00 C ATOM 618 NE ARG A 176 17.554 -4.412 -10.620 1.00 0.00 N ATOM 619 CZ ARG A 176 16.304 -4.896 -10.747 1.00 0.00 C ATOM 620 NH1 ARG A 176 15.561 -5.135 -9.660 1.00 0.00 N ATOM 621 NH2 ARG A 176 15.798 -5.142 -11.964 1.00 0.00 N ATOM 0 H ARG A 176 18.383 -1.184 -7.522 1.00 0.00 H new ATOM 0 HA ARG A 176 18.766 -3.259 -6.800 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.365 -3.128 -8.390 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.488 -4.573 -7.929 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.408 -2.395 -9.791 1.00 0.00 H new ATOM 0 HG3 ARG A 176 20.076 -3.925 -10.323 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.283 -5.019 -8.738 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.517 -3.442 -8.749 1.00 0.00 H new ATOM 0 HE ARG A 176 18.100 -4.252 -11.466 1.00 0.00 H new ATOM 0 HH11 ARG A 176 15.941 -4.950 -8.732 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.614 -5.502 -9.760 1.00 0.00 H new ATOM 0 HH21 ARG A 176 16.360 -4.963 -12.796 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.851 -5.509 -12.058 1.00 0.00 H new ATOM 635 N THR A 177 21.020 -3.918 -5.367 1.00 0.00 N ATOM 636 CA THR A 177 21.921 -4.062 -4.227 1.00 0.00 C ATOM 637 C THR A 177 22.741 -5.327 -4.434 1.00 0.00 C ATOM 638 O THR A 177 22.255 -6.274 -5.046 1.00 0.00 O ATOM 639 CB THR A 177 21.122 -4.159 -2.914 1.00 0.00 C ATOM 640 OG1 THR A 177 20.219 -5.242 -2.986 1.00 0.00 O ATOM 641 CG2 THR A 177 20.344 -2.864 -2.659 1.00 0.00 C ATOM 0 H THR A 177 20.737 -4.805 -5.782 1.00 0.00 H new ATOM 0 HA THR A 177 22.574 -3.192 -4.157 1.00 0.00 H new ATOM 0 HB THR A 177 21.822 -4.316 -2.093 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.713 -5.302 -2.149 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.786 -2.952 -1.727 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.041 -2.029 -2.587 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.651 -2.688 -3.482 1.00 0.00 H new ATOM 649 N ASP A 178 23.980 -5.355 -3.924 1.00 0.00 N ATOM 650 CA ASP A 178 24.839 -6.528 -4.056 1.00 0.00 C ATOM 651 C ASP A 178 24.103 -7.758 -3.523 1.00 0.00 C ATOM 652 O ASP A 178 24.155 -8.827 -4.126 1.00 0.00 O ATOM 653 CB ASP A 178 26.148 -6.308 -3.291 1.00 0.00 C ATOM 654 CG ASP A 178 26.846 -5.033 -3.747 1.00 0.00 C ATOM 655 OD1 ASP A 178 26.322 -3.949 -3.412 1.00 0.00 O ATOM 656 OD2 ASP A 178 27.892 -5.168 -4.418 1.00 0.00 O ATOM 0 H ASP A 178 24.404 -4.578 -3.418 1.00 0.00 H new ATOM 0 HA ASP A 178 25.080 -6.688 -5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 178 25.942 -6.250 -2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.809 -7.162 -3.443 1.00 0.00 H new ATOM 661 N ASN A 179 23.410 -7.597 -2.389 1.00 0.00 N ATOM 662 CA ASN A 179 22.652 -8.678 -1.777 1.00 0.00 C ATOM 663 C ASN A 179 21.628 -9.229 -2.769 1.00 0.00 C ATOM 664 O ASN A 179 21.567 -10.436 -2.987 1.00 0.00 O ATOM 665 CB ASN A 179 21.953 -8.157 -0.520 1.00 0.00 C ATOM 666 CG ASN A 179 22.967 -7.659 0.504 1.00 0.00 C ATOM 667 OD1 ASN A 179 23.442 -6.530 0.409 1.00 0.00 O ATOM 668 ND2 ASN A 179 23.301 -8.501 1.481 1.00 0.00 N ATOM 0 H ASN A 179 23.363 -6.716 -1.878 1.00 0.00 H new ATOM 0 HA ASN A 179 23.329 -9.486 -1.500 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.273 -7.348 -0.787 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.348 -8.950 -0.081 1.00 0.00 H new ATOM 0 HD21 ASN A 179 23.977 -8.217 2.190 1.00 0.00 H new ATOM 0 HD22 ASN A 179 22.881 -9.430 1.520 1.00 0.00 H new ATOM 675 N ALA A 180 20.822 -8.341 -3.367 1.00 0.00 N ATOM 676 CA ALA A 180 19.795 -8.745 -4.318 1.00 0.00 C ATOM 677 C ALA A 180 20.430 -9.343 -5.573 1.00 0.00 C ATOM 678 O ALA A 180 19.890 -10.282 -6.148 1.00 0.00 O ATOM 679 CB ALA A 180 18.937 -7.537 -4.681 1.00 0.00 C ATOM 0 H ALA A 180 20.868 -7.335 -3.203 1.00 0.00 H new ATOM 0 HA ALA A 180 19.166 -9.509 -3.860 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.168 -7.838 -5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.465 -7.143 -3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.564 -6.766 -5.129 1.00 0.00 H new ATOM 685 N ILE A 181 21.572 -8.793 -5.996 1.00 0.00 N ATOM 686 CA ILE A 181 22.267 -9.267 -7.181 1.00 0.00 C ATOM 687 C ILE A 181 22.686 -10.710 -6.996 1.00 0.00 C ATOM 688 O ILE A 181 22.415 -11.540 -7.846 1.00 0.00 O ATOM 689 CB ILE A 181 23.483 -8.379 -7.446 1.00 0.00 C ATOM 690 CG1 ILE A 181 23.017 -7.110 -8.142 1.00 0.00 C ATOM 691 CG2 ILE A 181 24.473 -9.112 -8.345 1.00 0.00 C ATOM 692 CD1 ILE A 181 24.004 -5.966 -7.891 1.00 0.00 C ATOM 0 H ILE A 181 22.032 -8.013 -5.526 1.00 0.00 H new ATOM 0 HA ILE A 181 21.599 -9.215 -8.041 1.00 0.00 H new ATOM 0 HB ILE A 181 23.972 -8.134 -6.503 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.924 -7.289 -9.213 1.00 0.00 H new ATOM 0 HG13 ILE A 181 22.028 -6.831 -7.778 1.00 0.00 H new ATOM 0 HG21 ILE A 181 25.337 -8.474 -8.530 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.798 -10.030 -7.856 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.992 -9.356 -9.292 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.654 -5.066 -8.397 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.076 -5.776 -6.820 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.985 -6.241 -8.277 1.00 0.00 H new ATOM 704 N LYS A 182 23.346 -11.005 -5.886 1.00 0.00 N ATOM 705 CA LYS A 182 23.790 -12.352 -5.595 1.00 0.00 C ATOM 706 C LYS A 182 22.607 -13.242 -5.359 1.00 0.00 C ATOM 707 O LYS A 182 22.599 -14.373 -5.820 1.00 0.00 O ATOM 708 CB LYS A 182 24.664 -12.326 -4.372 1.00 0.00 C ATOM 709 CG LYS A 182 26.081 -11.993 -4.789 1.00 0.00 C ATOM 710 CD LYS A 182 26.690 -11.047 -3.754 1.00 0.00 C ATOM 711 CE LYS A 182 26.560 -11.661 -2.348 1.00 0.00 C ATOM 712 NZ LYS A 182 27.200 -10.799 -1.336 1.00 0.00 N ATOM 0 H LYS A 182 23.586 -10.320 -5.169 1.00 0.00 H new ATOM 0 HA LYS A 182 24.356 -12.741 -6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 182 24.296 -11.586 -3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.636 -13.292 -3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 182 26.676 -12.903 -4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.085 -11.527 -5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.739 -10.866 -3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 182 26.185 -10.082 -3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 182 25.507 -11.797 -2.102 1.00 0.00 H new ATOM 0 HE3 LYS A 182 27.021 -12.649 -2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 27.100 -11.233 -0.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.210 -10.690 -1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 26.743 -9.865 -1.336 1.00 0.00 H new ATOM 726 N ASN A 183 21.603 -12.746 -4.641 1.00 0.00 N ATOM 727 CA ASN A 183 20.428 -13.532 -4.390 1.00 0.00 C ATOM 728 C ASN A 183 19.888 -14.003 -5.740 1.00 0.00 C ATOM 729 O ASN A 183 19.621 -15.178 -5.928 1.00 0.00 O ATOM 730 CB ASN A 183 19.388 -12.699 -3.637 1.00 0.00 C ATOM 731 CG ASN A 183 18.099 -13.490 -3.440 1.00 0.00 C ATOM 732 OD1 ASN A 183 17.959 -14.215 -2.462 1.00 0.00 O ATOM 733 ND2 ASN A 183 17.158 -13.348 -4.375 1.00 0.00 N ATOM 0 H ASN A 183 21.591 -11.812 -4.232 1.00 0.00 H new ATOM 0 HA ASN A 183 20.664 -14.395 -3.767 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.788 -12.400 -2.668 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.177 -11.784 -4.191 1.00 0.00 H new ATOM 0 HD21 ASN A 183 16.277 -13.855 -4.293 1.00 0.00 H new ATOM 0 HD22 ASN A 183 17.320 -12.733 -5.172 1.00 0.00 H new ATOM 740 N HIS A 184 19.756 -13.056 -6.678 1.00 0.00 N ATOM 741 CA HIS A 184 19.281 -13.327 -8.024 1.00 0.00 C ATOM 742 C HIS A 184 20.225 -14.297 -8.749 1.00 0.00 C ATOM 743 O HIS A 184 19.783 -15.297 -9.312 1.00 0.00 O ATOM 744 CB HIS A 184 19.209 -11.993 -8.790 1.00 0.00 C ATOM 745 CG HIS A 184 18.541 -12.128 -10.132 1.00 0.00 C ATOM 746 ND1 HIS A 184 17.303 -12.732 -10.302 1.00 0.00 N ATOM 747 CD2 HIS A 184 18.923 -11.746 -11.392 1.00 0.00 C ATOM 748 CE1 HIS A 184 17.023 -12.678 -11.619 1.00 0.00 C ATOM 749 NE2 HIS A 184 17.973 -12.087 -12.341 1.00 0.00 N ATOM 0 H HIS A 184 19.980 -12.075 -6.514 1.00 0.00 H new ATOM 0 HA HIS A 184 18.296 -13.791 -7.977 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.665 -11.263 -8.190 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.218 -11.604 -8.929 1.00 0.00 H new ATOM 0 HD2 HIS A 184 19.851 -11.241 -11.617 1.00 0.00 H new ATOM 0 HE1 HIS A 184 16.115 -13.076 -12.048 1.00 0.00 H new ATOM 0 HE2 HIS A 184 17.996 -11.925 -13.348 1.00 0.00 H new ATOM 757 N TRP A 185 21.524 -13.974 -8.741 1.00 0.00 N ATOM 758 CA TRP A 185 22.540 -14.741 -9.447 1.00 0.00 C ATOM 759 C TRP A 185 22.582 -16.196 -8.977 1.00 0.00 C ATOM 760 O TRP A 185 22.770 -17.103 -9.782 1.00 0.00 O ATOM 761 CB TRP A 185 23.911 -14.079 -9.246 1.00 0.00 C ATOM 762 CG TRP A 185 24.984 -14.639 -10.123 1.00 0.00 C ATOM 763 CD1 TRP A 185 25.946 -15.499 -9.749 1.00 0.00 C ATOM 764 CD2 TRP A 185 25.212 -14.399 -11.539 1.00 0.00 C ATOM 765 NE1 TRP A 185 26.750 -15.830 -10.814 1.00 0.00 N ATOM 766 CE2 TRP A 185 26.337 -15.174 -11.960 1.00 0.00 C ATOM 767 CE3 TRP A 185 24.579 -13.605 -12.521 1.00 0.00 C ATOM 768 CZ2 TRP A 185 26.796 -15.169 -13.279 1.00 0.00 C ATOM 769 CZ3 TRP A 185 25.047 -13.593 -13.850 1.00 0.00 C ATOM 770 CH2 TRP A 185 26.153 -14.379 -14.222 1.00 0.00 C ATOM 0 H TRP A 185 21.895 -13.167 -8.239 1.00 0.00 H new ATOM 0 HA TRP A 185 22.285 -14.749 -10.507 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.820 -13.010 -9.437 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.210 -14.192 -8.204 1.00 0.00 H new ATOM 0 HD1 TRP A 185 26.071 -15.879 -8.746 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.542 -16.471 -10.766 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.726 -13.000 -12.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.644 -15.775 -13.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 24.554 -12.977 -14.587 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.503 -14.368 -15.244 1.00 0.00 H new ATOM 781 N ASN A 186 22.436 -16.407 -7.671 1.00 0.00 N ATOM 782 CA ASN A 186 22.564 -17.725 -7.075 1.00 0.00 C ATOM 783 C ASN A 186 21.224 -18.474 -7.017 1.00 0.00 C ATOM 784 O ASN A 186 21.222 -19.703 -7.019 1.00 0.00 O ATOM 785 CB ASN A 186 23.163 -17.558 -5.672 1.00 0.00 C ATOM 786 CG ASN A 186 24.648 -17.209 -5.750 1.00 0.00 C ATOM 787 OD1 ASN A 186 25.499 -18.089 -5.657 1.00 0.00 O ATOM 788 ND2 ASN A 186 24.959 -15.925 -5.922 1.00 0.00 N ATOM 0 H ASN A 186 22.226 -15.667 -7.001 1.00 0.00 H new ATOM 0 HA ASN A 186 23.220 -18.333 -7.698 1.00 0.00 H new ATOM 0 HB2 ASN A 186 22.629 -16.774 -5.135 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.031 -18.479 -5.104 1.00 0.00 H new ATOM 0 HD21 ASN A 186 25.937 -15.641 -5.981 1.00 0.00 H new ATOM 0 HD22 ASN A 186 24.219 -15.226 -5.994 1.00 0.00 H new ATOM 795 N SER A 187 20.089 -17.755 -6.948 1.00 0.00 N ATOM 796 CA SER A 187 18.780 -18.406 -6.828 1.00 0.00 C ATOM 797 C SER A 187 18.167 -18.711 -8.197 1.00 0.00 C ATOM 798 O SER A 187 17.643 -19.803 -8.403 1.00 0.00 O ATOM 799 CB SER A 187 17.832 -17.523 -6.004 1.00 0.00 C ATOM 800 OG SER A 187 17.413 -16.406 -6.767 1.00 0.00 O ATOM 0 H SER A 187 20.055 -16.736 -6.973 1.00 0.00 H new ATOM 0 HA SER A 187 18.926 -19.358 -6.318 1.00 0.00 H new ATOM 0 HB2 SER A 187 16.965 -18.103 -5.690 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.335 -17.185 -5.098 1.00 0.00 H new ATOM 0 HG SER A 187 18.069 -15.683 -6.676 1.00 0.00 H new ATOM 806 N THR A 188 18.210 -17.744 -9.123 1.00 0.00 N ATOM 807 CA THR A 188 17.569 -17.901 -10.421 1.00 0.00 C ATOM 808 C THR A 188 18.429 -18.752 -11.356 1.00 0.00 C ATOM 809 O THR A 188 18.131 -19.927 -11.566 1.00 0.00 O ATOM 810 CB THR A 188 17.290 -16.514 -11.019 1.00 0.00 C ATOM 811 OG1 THR A 188 16.528 -15.759 -10.102 1.00 0.00 O ATOM 812 CG2 THR A 188 16.504 -16.657 -12.327 1.00 0.00 C ATOM 0 H THR A 188 18.682 -16.850 -8.991 1.00 0.00 H new ATOM 0 HA THR A 188 16.622 -18.425 -10.295 1.00 0.00 H new ATOM 0 HB THR A 188 18.237 -16.013 -11.221 1.00 0.00 H new ATOM 0 HG1 THR A 188 16.843 -14.831 -10.101 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.310 -15.669 -12.745 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.085 -17.244 -13.038 1.00 0.00 H new ATOM 0 HG23 THR A 188 15.557 -17.160 -12.129 1.00 0.00 H new ATOM 820 N MET A 189 19.487 -18.167 -11.928 1.00 0.00 N ATOM 821 CA MET A 189 20.339 -18.877 -12.875 1.00 0.00 C ATOM 822 C MET A 189 21.373 -19.726 -12.132 1.00 0.00 C ATOM 823 O MET A 189 22.579 -19.561 -12.318 1.00 0.00 O ATOM 824 CB MET A 189 20.999 -17.877 -13.837 1.00 0.00 C ATOM 825 CG MET A 189 21.720 -16.762 -13.070 1.00 0.00 C ATOM 826 SD MET A 189 22.741 -15.709 -14.125 1.00 0.00 S ATOM 827 CE MET A 189 21.436 -14.816 -15.002 1.00 0.00 C ATOM 0 H MET A 189 19.770 -17.204 -11.749 1.00 0.00 H new ATOM 0 HA MET A 189 19.730 -19.558 -13.470 1.00 0.00 H new ATOM 0 HB2 MET A 189 21.710 -18.399 -14.477 1.00 0.00 H new ATOM 0 HB3 MET A 189 20.242 -17.442 -14.489 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.980 -16.145 -12.560 1.00 0.00 H new ATOM 0 HG3 MET A 189 22.348 -17.209 -12.299 1.00 0.00 H new ATOM 0 HE1 MET A 189 21.881 -14.040 -15.625 1.00 0.00 H new ATOM 0 HE2 MET A 189 20.879 -15.511 -15.630 1.00 0.00 H new ATOM 0 HE3 MET A 189 20.760 -14.358 -14.280 1.00 0.00 H new