USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 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 -170:sc= 0 USER MOD Set 1.2: A 179 ASN :FLIP amide:sc= -0.123 F(o=-0.76,f=-0.12) USER MOD Set 2.1: A 159 HIS : no HD1:sc= 0.314 K(o=0.65,f=-3.9!) USER MOD Set 2.2: A 164 ASN : amide:sc= 0.336 X(o=0.65,f=0.31) USER MOD Single : A 148 THR OG1 : rot 79:sc= 1.26 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 164:sc=-0.00519 (180deg=-0.139) USER MOD Single : A 171 LYS NZ :NH3+ 169:sc= 2.37 (180deg=1.4) USER MOD Single : A 182 LYS NZ :NH3+ -152:sc= 0.102 (180deg=-1.42!) USER MOD Single : A 183 ASN : amide:sc= -0.433 K(o=-0.43,f=-1.7) USER MOD Single : A 184 HIS : no HD1:sc= -0.851 X(o=-0.85,f=-1.3) USER MOD Single : A 186 ASN : amide:sc= 0.907 K(o=0.91,f=-0.053) USER MOD Single : A 187 SER OG : rot 97:sc= 1.19 USER MOD Single : A 188 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 189 MET CE :methyl -160:sc= -0.441 (180deg=-2.05) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.114 -10.288 -13.030 1.00 0.00 N ATOM 89 CA TRP A 147 14.123 -9.620 -13.852 1.00 0.00 C ATOM 90 C TRP A 147 13.707 -9.644 -15.336 1.00 0.00 C ATOM 91 O TRP A 147 12.569 -9.989 -15.657 1.00 0.00 O ATOM 92 CB TRP A 147 15.488 -10.296 -13.629 1.00 0.00 C ATOM 93 CG TRP A 147 16.196 -9.879 -12.378 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.025 -10.410 -11.155 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.210 -8.851 -12.213 1.00 0.00 C ATOM 96 NE1 TRP A 147 16.858 -9.807 -10.239 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.624 -8.829 -10.845 1.00 0.00 C ATOM 98 CE3 TRP A 147 17.831 -7.932 -13.081 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.607 -7.955 -10.375 1.00 0.00 C ATOM 100 CZ3 TRP A 147 18.820 -7.045 -12.613 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.212 -7.063 -11.268 1.00 0.00 C ATOM 0 HA TRP A 147 14.207 -8.574 -13.558 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.344 -11.376 -13.606 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.130 -10.079 -14.483 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.329 -11.202 -10.922 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.903 -10.049 -9.249 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.544 -7.907 -14.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.897 -7.967 -9.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.280 -6.346 -13.296 1.00 0.00 H new ATOM 0 HH2 TRP A 147 19.981 -6.389 -10.920 1.00 0.00 H new ATOM 112 N THR A 148 14.631 -9.266 -16.235 1.00 0.00 N ATOM 113 CA THR A 148 14.361 -9.241 -17.669 1.00 0.00 C ATOM 114 C THR A 148 15.622 -9.648 -18.438 1.00 0.00 C ATOM 115 O THR A 148 16.735 -9.550 -17.918 1.00 0.00 O ATOM 116 CB THR A 148 13.877 -7.840 -18.092 1.00 0.00 C ATOM 117 OG1 THR A 148 14.021 -6.928 -17.022 1.00 0.00 O ATOM 118 CG2 THR A 148 12.403 -7.906 -18.496 1.00 0.00 C ATOM 0 H THR A 148 15.575 -8.973 -15.984 1.00 0.00 H new ATOM 0 HA THR A 148 13.571 -9.954 -17.904 1.00 0.00 H new ATOM 0 HB THR A 148 14.479 -7.503 -18.936 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.957 -6.644 -16.958 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.063 -6.914 -18.795 1.00 0.00 H new ATOM 0 HG22 THR A 148 12.285 -8.597 -19.331 1.00 0.00 H new ATOM 0 HG23 THR A 148 11.809 -8.254 -17.651 1.00 0.00 H new ATOM 126 N GLU A 149 15.426 -10.117 -19.678 1.00 0.00 N ATOM 127 CA GLU A 149 16.505 -10.601 -20.534 1.00 0.00 C ATOM 128 C GLU A 149 17.633 -9.574 -20.657 1.00 0.00 C ATOM 129 O GLU A 149 18.805 -9.931 -20.556 1.00 0.00 O ATOM 130 CB GLU A 149 15.941 -10.931 -21.923 1.00 0.00 C ATOM 131 CG GLU A 149 14.777 -11.925 -21.806 1.00 0.00 C ATOM 132 CD GLU A 149 13.432 -11.208 -21.884 1.00 0.00 C ATOM 133 OE1 GLU A 149 13.007 -10.680 -20.833 1.00 0.00 O ATOM 134 OE2 GLU A 149 12.858 -11.199 -22.992 1.00 0.00 O ATOM 0 H GLU A 149 14.505 -10.169 -20.114 1.00 0.00 H new ATOM 0 HA GLU A 149 16.926 -11.498 -20.080 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.600 -10.018 -22.410 1.00 0.00 H new ATOM 0 HB3 GLU A 149 16.726 -11.353 -22.550 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.845 -12.665 -22.604 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.850 -12.466 -20.862 1.00 0.00 H new ATOM 141 N GLU A 150 17.282 -8.303 -20.889 1.00 0.00 N ATOM 142 CA GLU A 150 18.273 -7.249 -21.060 1.00 0.00 C ATOM 143 C GLU A 150 19.238 -7.235 -19.873 1.00 0.00 C ATOM 144 O GLU A 150 20.446 -7.377 -20.053 1.00 0.00 O ATOM 145 CB GLU A 150 17.562 -5.900 -21.213 1.00 0.00 C ATOM 146 CG GLU A 150 18.578 -4.822 -21.609 1.00 0.00 C ATOM 147 CD GLU A 150 17.883 -3.503 -21.928 1.00 0.00 C ATOM 148 OE1 GLU A 150 16.878 -3.554 -22.670 1.00 0.00 O ATOM 149 OE2 GLU A 150 18.373 -2.468 -21.426 1.00 0.00 O ATOM 0 H GLU A 150 16.315 -7.985 -20.962 1.00 0.00 H new ATOM 0 HA GLU A 150 18.856 -7.437 -21.961 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.781 -5.973 -21.970 1.00 0.00 H new ATOM 0 HB3 GLU A 150 17.074 -5.627 -20.277 1.00 0.00 H new ATOM 0 HG2 GLU A 150 19.291 -4.674 -20.798 1.00 0.00 H new ATOM 0 HG3 GLU A 150 19.147 -5.156 -22.477 1.00 0.00 H new ATOM 156 N GLU A 151 18.702 -7.068 -18.662 1.00 0.00 N ATOM 157 CA GLU A 151 19.511 -7.038 -17.455 1.00 0.00 C ATOM 158 C GLU A 151 20.321 -8.327 -17.333 1.00 0.00 C ATOM 159 O GLU A 151 21.490 -8.286 -16.963 1.00 0.00 O ATOM 160 CB GLU A 151 18.612 -6.868 -16.233 1.00 0.00 C ATOM 161 CG GLU A 151 18.129 -5.414 -16.111 1.00 0.00 C ATOM 162 CD GLU A 151 17.087 -5.067 -17.171 1.00 0.00 C ATOM 163 OE1 GLU A 151 16.431 -6.012 -17.664 1.00 0.00 O ATOM 164 OE2 GLU A 151 16.963 -3.861 -17.466 1.00 0.00 O ATOM 0 H GLU A 151 17.702 -6.951 -18.497 1.00 0.00 H new ATOM 0 HA GLU A 151 20.200 -6.195 -17.511 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.754 -7.536 -16.311 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.157 -7.152 -15.333 1.00 0.00 H new ATOM 0 HG2 GLU A 151 17.705 -5.255 -15.120 1.00 0.00 H new ATOM 0 HG3 GLU A 151 18.980 -4.740 -16.205 1.00 0.00 H new ATOM 171 N ASP A 152 19.697 -9.470 -17.645 1.00 0.00 N ATOM 172 CA ASP A 152 20.374 -10.760 -17.584 1.00 0.00 C ATOM 173 C ASP A 152 21.672 -10.700 -18.392 1.00 0.00 C ATOM 174 O ASP A 152 22.720 -11.147 -17.926 1.00 0.00 O ATOM 175 CB ASP A 152 19.443 -11.855 -18.131 1.00 0.00 C ATOM 176 CG ASP A 152 19.171 -12.923 -17.081 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.293 -12.670 -16.228 1.00 0.00 O ATOM 178 OD2 ASP A 152 19.844 -13.974 -17.154 1.00 0.00 O ATOM 0 H ASP A 152 18.723 -9.522 -17.942 1.00 0.00 H new ATOM 0 HA ASP A 152 20.621 -10.997 -16.549 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.502 -11.409 -18.451 1.00 0.00 H new ATOM 0 HB3 ASP A 152 19.894 -12.313 -19.011 1.00 0.00 H new ATOM 183 N ARG A 153 21.596 -10.140 -19.607 1.00 0.00 N ATOM 184 CA ARG A 153 22.755 -10.025 -20.480 1.00 0.00 C ATOM 185 C ARG A 153 23.781 -9.060 -19.878 1.00 0.00 C ATOM 186 O ARG A 153 24.981 -9.308 -19.967 1.00 0.00 O ATOM 187 CB ARG A 153 22.312 -9.547 -21.871 1.00 0.00 C ATOM 188 CG ARG A 153 21.408 -10.599 -22.538 1.00 0.00 C ATOM 189 CD ARG A 153 22.249 -11.746 -23.113 1.00 0.00 C ATOM 190 NE ARG A 153 23.068 -11.290 -24.243 1.00 0.00 N ATOM 191 CZ ARG A 153 23.929 -12.092 -24.894 1.00 0.00 C ATOM 192 NH1 ARG A 153 24.078 -13.369 -24.516 1.00 0.00 N ATOM 193 NH2 ARG A 153 24.638 -11.613 -25.925 1.00 0.00 N ATOM 0 H ARG A 153 20.736 -9.760 -20.002 1.00 0.00 H new ATOM 0 HA ARG A 153 23.226 -11.003 -20.579 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.777 -8.601 -21.784 1.00 0.00 H new ATOM 0 HB3 ARG A 153 23.187 -9.362 -22.495 1.00 0.00 H new ATOM 0 HG2 ARG A 153 20.698 -10.991 -21.810 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.825 -10.134 -23.333 1.00 0.00 H new ATOM 0 HD2 ARG A 153 22.894 -12.153 -22.334 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.593 -12.553 -23.438 1.00 0.00 H new ATOM 0 HE ARG A 153 22.980 -10.321 -24.548 1.00 0.00 H new ATOM 0 HH11 ARG A 153 23.537 -13.735 -23.732 1.00 0.00 H new ATOM 0 HH12 ARG A 153 24.732 -13.975 -25.012 1.00 0.00 H new ATOM 0 HH21 ARG A 153 24.524 -10.642 -26.215 1.00 0.00 H new ATOM 0 HH22 ARG A 153 25.292 -12.220 -26.420 1.00 0.00 H new ATOM 207 N ILE A 154 23.314 -7.960 -19.266 1.00 0.00 N ATOM 208 CA ILE A 154 24.211 -6.980 -18.657 1.00 0.00 C ATOM 209 C ILE A 154 25.020 -7.645 -17.542 1.00 0.00 C ATOM 210 O ILE A 154 26.248 -7.553 -17.526 1.00 0.00 O ATOM 211 CB ILE A 154 23.399 -5.789 -18.104 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.706 -5.029 -19.255 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.328 -4.841 -17.334 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.702 -4.142 -20.014 1.00 0.00 C ATOM 0 H ILE A 154 22.323 -7.732 -19.183 1.00 0.00 H new ATOM 0 HA ILE A 154 24.900 -6.603 -19.413 1.00 0.00 H new ATOM 0 HB ILE A 154 22.633 -6.169 -17.428 1.00 0.00 H new ATOM 0 HG12 ILE A 154 22.252 -5.742 -19.943 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.900 -4.415 -18.855 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.751 -4.002 -16.946 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.790 -5.378 -16.506 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.104 -4.469 -18.003 1.00 0.00 H new ATOM 0 HD11 ILE A 154 23.184 -3.620 -20.819 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.136 -3.414 -19.329 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.494 -4.762 -20.434 1.00 0.00 H new ATOM 226 N ILE A 155 24.328 -8.315 -16.611 1.00 0.00 N ATOM 227 CA ILE A 155 24.983 -8.980 -15.493 1.00 0.00 C ATOM 228 C ILE A 155 25.937 -10.048 -16.021 1.00 0.00 C ATOM 229 O ILE A 155 27.051 -10.160 -15.540 1.00 0.00 O ATOM 230 CB ILE A 155 23.930 -9.598 -14.554 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.031 -8.491 -13.978 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.636 -10.329 -13.400 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.729 -9.100 -13.454 1.00 0.00 C ATOM 0 H ILE A 155 23.312 -8.407 -16.616 1.00 0.00 H new ATOM 0 HA ILE A 155 25.558 -8.251 -14.923 1.00 0.00 H new ATOM 0 HB ILE A 155 23.320 -10.304 -15.117 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.550 -7.971 -13.173 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.813 -7.750 -14.747 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.890 -10.766 -12.736 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.270 -11.119 -13.803 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.249 -9.621 -12.842 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.096 -8.311 -13.047 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.207 -9.600 -14.270 1.00 0.00 H new ATOM 0 HD13 ILE A 155 21.955 -9.824 -12.671 1.00 0.00 H new ATOM 245 N TYR A 156 25.495 -10.830 -17.012 1.00 0.00 N ATOM 246 CA TYR A 156 26.318 -11.883 -17.597 1.00 0.00 C ATOM 247 C TYR A 156 27.622 -11.300 -18.151 1.00 0.00 C ATOM 248 O TYR A 156 28.706 -11.790 -17.833 1.00 0.00 O ATOM 249 CB TYR A 156 25.520 -12.583 -18.703 1.00 0.00 C ATOM 250 CG TYR A 156 26.375 -13.410 -19.643 1.00 0.00 C ATOM 251 CD1 TYR A 156 27.183 -14.445 -19.137 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.364 -13.140 -21.025 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.977 -15.207 -20.011 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.158 -13.904 -21.897 1.00 0.00 C ATOM 255 CZ TYR A 156 27.964 -14.937 -21.390 1.00 0.00 C ATOM 256 OH TYR A 156 28.738 -15.677 -22.235 1.00 0.00 O ATOM 0 H TYR A 156 24.566 -10.749 -17.425 1.00 0.00 H new ATOM 0 HA TYR A 156 26.581 -12.610 -16.829 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.771 -13.229 -18.245 1.00 0.00 H new ATOM 0 HB3 TYR A 156 24.982 -11.832 -19.282 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.193 -14.654 -18.077 1.00 0.00 H new ATOM 0 HD2 TYR A 156 25.745 -12.345 -21.415 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.598 -16.001 -19.622 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.149 -13.697 -22.957 1.00 0.00 H new ATOM 0 HH TYR A 156 28.612 -15.362 -23.154 1.00 0.00 H new ATOM 266 N GLN A 157 27.512 -10.262 -18.986 1.00 0.00 N ATOM 267 CA GLN A 157 28.671 -9.640 -19.613 1.00 0.00 C ATOM 268 C GLN A 157 29.628 -9.083 -18.558 1.00 0.00 C ATOM 269 O GLN A 157 30.835 -9.294 -18.643 1.00 0.00 O ATOM 270 CB GLN A 157 28.194 -8.524 -20.549 1.00 0.00 C ATOM 271 CG GLN A 157 29.353 -8.063 -21.443 1.00 0.00 C ATOM 272 CD GLN A 157 29.042 -6.724 -22.107 1.00 0.00 C ATOM 273 OE1 GLN A 157 29.901 -5.848 -22.165 1.00 0.00 O ATOM 274 NE2 GLN A 157 27.817 -6.566 -22.606 1.00 0.00 N ATOM 0 H GLN A 157 26.621 -9.835 -19.242 1.00 0.00 H new ATOM 0 HA GLN A 157 29.213 -10.391 -20.188 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.368 -8.881 -21.164 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.817 -7.684 -19.966 1.00 0.00 H new ATOM 0 HG2 GLN A 157 30.261 -7.974 -20.847 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.546 -8.815 -22.208 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.136 -7.322 -22.535 1.00 0.00 H new ATOM 0 HE22 GLN A 157 27.560 -5.689 -23.059 1.00 0.00 H new ATOM 283 N ALA A 158 29.093 -8.362 -17.573 1.00 0.00 N ATOM 284 CA ALA A 158 29.912 -7.744 -16.543 1.00 0.00 C ATOM 285 C ALA A 158 30.507 -8.798 -15.605 1.00 0.00 C ATOM 286 O ALA A 158 31.639 -8.653 -15.157 1.00 0.00 O ATOM 287 CB ALA A 158 29.058 -6.748 -15.762 1.00 0.00 C ATOM 0 H ALA A 158 28.092 -8.194 -17.471 1.00 0.00 H new ATOM 0 HA ALA A 158 30.744 -7.221 -17.014 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.664 -6.279 -14.987 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.680 -5.983 -16.440 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.220 -7.270 -15.301 1.00 0.00 H new ATOM 293 N HIS A 159 29.743 -9.850 -15.300 1.00 0.00 N ATOM 294 CA HIS A 159 30.183 -10.884 -14.375 1.00 0.00 C ATOM 295 C HIS A 159 31.290 -11.737 -14.989 1.00 0.00 C ATOM 296 O HIS A 159 32.272 -12.031 -14.324 1.00 0.00 O ATOM 297 CB HIS A 159 28.996 -11.760 -13.972 1.00 0.00 C ATOM 298 CG HIS A 159 29.378 -12.802 -12.955 1.00 0.00 C ATOM 299 ND1 HIS A 159 29.936 -14.026 -13.305 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.305 -12.827 -11.587 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.156 -14.695 -12.156 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.792 -14.017 -11.069 1.00 0.00 N ATOM 0 H HIS A 159 28.811 -10.004 -15.686 1.00 0.00 H new ATOM 0 HA HIS A 159 30.589 -10.401 -13.486 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.204 -11.131 -13.565 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.591 -12.250 -14.857 1.00 0.00 H new ATOM 0 HD2 HIS A 159 28.916 -12.019 -10.986 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.586 -15.685 -12.120 1.00 0.00 H new ATOM 0 HE2 HIS A 159 29.856 -14.304 -10.092 1.00 0.00 H new ATOM 310 N LYS A 160 31.139 -12.147 -16.252 1.00 0.00 N ATOM 311 CA LYS A 160 32.143 -12.990 -16.895 1.00 0.00 C ATOM 312 C LYS A 160 33.434 -12.196 -17.165 1.00 0.00 C ATOM 313 O LYS A 160 34.420 -12.770 -17.623 1.00 0.00 O ATOM 314 CB LYS A 160 31.566 -13.592 -18.186 1.00 0.00 C ATOM 315 CG LYS A 160 31.617 -12.574 -19.327 1.00 0.00 C ATOM 316 CD LYS A 160 30.749 -13.067 -20.490 1.00 0.00 C ATOM 317 CE LYS A 160 31.077 -12.277 -21.760 1.00 0.00 C ATOM 318 NZ LYS A 160 32.368 -12.702 -22.335 1.00 0.00 N ATOM 0 H LYS A 160 30.340 -11.911 -16.841 1.00 0.00 H new ATOM 0 HA LYS A 160 32.405 -13.808 -16.224 1.00 0.00 H new ATOM 0 HB2 LYS A 160 32.130 -14.483 -18.461 1.00 0.00 H new ATOM 0 HB3 LYS A 160 30.536 -13.906 -18.018 1.00 0.00 H new ATOM 0 HG2 LYS A 160 31.261 -11.604 -18.979 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.646 -12.436 -19.660 1.00 0.00 H new ATOM 0 HD2 LYS A 160 30.922 -14.130 -20.658 1.00 0.00 H new ATOM 0 HD3 LYS A 160 29.694 -12.951 -20.242 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.284 -12.419 -22.495 1.00 0.00 H new ATOM 0 HE3 LYS A 160 31.111 -11.212 -21.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 32.441 -12.361 -23.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 33.147 -12.305 -21.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 32.428 -13.740 -22.324 1.00 0.00 H new ATOM 332 N ARG A 161 33.424 -10.880 -16.879 1.00 0.00 N ATOM 333 CA ARG A 161 34.589 -10.025 -17.081 1.00 0.00 C ATOM 334 C ARG A 161 35.221 -9.659 -15.734 1.00 0.00 C ATOM 335 O ARG A 161 36.426 -9.818 -15.552 1.00 0.00 O ATOM 336 CB ARG A 161 34.156 -8.753 -17.823 1.00 0.00 C ATOM 337 CG ARG A 161 33.821 -9.076 -19.287 1.00 0.00 C ATOM 338 CD ARG A 161 35.099 -9.082 -20.137 1.00 0.00 C ATOM 339 NE ARG A 161 35.705 -7.743 -20.204 1.00 0.00 N ATOM 340 CZ ARG A 161 35.231 -6.751 -20.983 1.00 0.00 C ATOM 341 NH1 ARG A 161 34.148 -6.947 -21.748 1.00 0.00 N ATOM 342 NH2 ARG A 161 35.846 -5.562 -20.993 1.00 0.00 N ATOM 0 H ARG A 161 32.611 -10.391 -16.505 1.00 0.00 H new ATOM 0 HA ARG A 161 35.331 -10.560 -17.674 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.287 -8.316 -17.332 1.00 0.00 H new ATOM 0 HB3 ARG A 161 34.953 -8.010 -17.781 1.00 0.00 H new ATOM 0 HG2 ARG A 161 33.330 -10.047 -19.349 1.00 0.00 H new ATOM 0 HG3 ARG A 161 33.120 -8.339 -19.678 1.00 0.00 H new ATOM 0 HD2 ARG A 161 35.815 -9.787 -19.715 1.00 0.00 H new ATOM 0 HD3 ARG A 161 34.867 -9.429 -21.144 1.00 0.00 H new ATOM 0 HE ARG A 161 36.527 -7.556 -19.630 1.00 0.00 H new ATOM 0 HH11 ARG A 161 33.677 -7.852 -21.743 1.00 0.00 H new ATOM 0 HH12 ARG A 161 33.795 -6.191 -22.335 1.00 0.00 H new ATOM 0 HH21 ARG A 161 36.671 -5.409 -20.412 1.00 0.00 H new ATOM 0 HH22 ARG A 161 35.490 -4.809 -21.581 1.00 0.00 H new ATOM 356 N LEU A 162 34.404 -9.152 -14.800 1.00 0.00 N ATOM 357 CA LEU A 162 34.884 -8.696 -13.497 1.00 0.00 C ATOM 358 C LEU A 162 34.782 -9.806 -12.446 1.00 0.00 C ATOM 359 O LEU A 162 35.611 -9.870 -11.539 1.00 0.00 O ATOM 360 CB LEU A 162 34.055 -7.479 -13.055 1.00 0.00 C ATOM 361 CG LEU A 162 34.082 -6.376 -14.128 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.204 -5.210 -13.670 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.515 -5.878 -14.341 1.00 0.00 C ATOM 0 H LEU A 162 33.398 -9.049 -14.930 1.00 0.00 H new ATOM 0 HA LEU A 162 35.935 -8.421 -13.589 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.026 -7.784 -12.867 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.448 -7.088 -12.116 1.00 0.00 H new ATOM 0 HG LEU A 162 33.705 -6.782 -15.067 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.219 -4.425 -14.426 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.181 -5.559 -13.529 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.586 -4.815 -12.729 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.520 -5.098 -15.102 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.903 -5.474 -13.406 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.144 -6.707 -14.667 1.00 0.00 H new ATOM 375 N GLY A 163 33.765 -10.667 -12.560 1.00 0.00 N ATOM 376 CA GLY A 163 33.536 -11.745 -11.604 1.00 0.00 C ATOM 377 C GLY A 163 32.374 -11.374 -10.691 1.00 0.00 C ATOM 378 O GLY A 163 31.454 -10.675 -11.112 1.00 0.00 O ATOM 0 H GLY A 163 33.082 -10.633 -13.317 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.316 -12.673 -12.132 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.435 -11.919 -11.013 1.00 0.00 H new ATOM 382 N ASN A 164 32.416 -11.831 -9.432 1.00 0.00 N ATOM 383 CA ASN A 164 31.365 -11.530 -8.462 1.00 0.00 C ATOM 384 C ASN A 164 31.584 -10.137 -7.863 1.00 0.00 C ATOM 385 O ASN A 164 31.306 -9.917 -6.685 1.00 0.00 O ATOM 386 CB ASN A 164 31.363 -12.592 -7.354 1.00 0.00 C ATOM 387 CG ASN A 164 31.177 -13.995 -7.925 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.052 -14.461 -8.075 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.284 -14.671 -8.238 1.00 0.00 N ATOM 0 H ASN A 164 33.170 -12.411 -9.065 1.00 0.00 H new ATOM 0 HA ASN A 164 30.399 -11.543 -8.966 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.301 -12.544 -6.801 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.564 -12.378 -6.645 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.215 -15.615 -8.619 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.199 -14.244 -8.097 1.00 0.00 H new ATOM 396 N ARG A 165 32.083 -9.193 -8.674 1.00 0.00 N ATOM 397 CA ARG A 165 32.335 -7.839 -8.218 1.00 0.00 C ATOM 398 C ARG A 165 31.065 -7.014 -8.374 1.00 0.00 C ATOM 399 O ARG A 165 31.009 -6.089 -9.189 1.00 0.00 O ATOM 400 CB ARG A 165 33.492 -7.231 -9.020 1.00 0.00 C ATOM 401 CG ARG A 165 34.818 -7.842 -8.552 1.00 0.00 C ATOM 402 CD ARG A 165 35.985 -7.229 -9.330 1.00 0.00 C ATOM 403 NE ARG A 165 36.048 -5.772 -9.140 1.00 0.00 N ATOM 404 CZ ARG A 165 37.036 -5.008 -9.631 1.00 0.00 C ATOM 405 NH1 ARG A 165 38.022 -5.559 -10.353 1.00 0.00 N ATOM 406 NH2 ARG A 165 37.030 -3.694 -9.396 1.00 0.00 N ATOM 0 H ARG A 165 32.318 -9.355 -9.653 1.00 0.00 H new ATOM 0 HA ARG A 165 32.619 -7.845 -7.166 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.349 -7.419 -10.084 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.511 -6.149 -8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 165 34.951 -7.667 -7.484 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.801 -8.922 -8.698 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.921 -7.681 -9.002 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.876 -7.455 -10.391 1.00 0.00 H new ATOM 0 HE ARG A 165 35.304 -5.320 -8.609 1.00 0.00 H new ATOM 0 HH11 ARG A 165 38.024 -6.563 -10.531 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.771 -4.974 -10.724 1.00 0.00 H new ATOM 0 HH21 ARG A 165 36.278 -3.278 -8.847 1.00 0.00 H new ATOM 0 HH22 ARG A 165 37.777 -3.106 -9.766 1.00 0.00 H new ATOM 420 N TRP A 166 30.039 -7.347 -7.582 1.00 0.00 N ATOM 421 CA TRP A 166 28.775 -6.628 -7.622 1.00 0.00 C ATOM 422 C TRP A 166 28.995 -5.183 -7.201 1.00 0.00 C ATOM 423 O TRP A 166 28.169 -4.340 -7.478 1.00 0.00 O ATOM 424 CB TRP A 166 27.742 -7.297 -6.717 1.00 0.00 C ATOM 425 CG TRP A 166 27.918 -8.765 -6.555 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.477 -9.348 -5.497 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.559 -9.851 -7.459 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.509 -10.713 -5.642 1.00 0.00 N ATOM 429 CE2 TRP A 166 27.947 -11.086 -6.849 1.00 0.00 C ATOM 430 CE3 TRP A 166 26.949 -9.930 -8.733 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.742 -12.322 -7.463 1.00 0.00 C ATOM 432 CZ3 TRP A 166 26.741 -11.179 -9.358 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.139 -12.370 -8.723 1.00 0.00 C ATOM 0 H TRP A 166 30.066 -8.112 -6.907 1.00 0.00 H new ATOM 0 HA TRP A 166 28.391 -6.648 -8.642 1.00 0.00 H new ATOM 0 HB2 TRP A 166 27.783 -6.829 -5.733 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.747 -7.106 -7.120 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.856 -8.817 -4.637 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.894 -11.361 -4.955 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.639 -9.025 -9.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.046 -13.233 -6.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.273 -11.220 -10.330 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.979 -13.321 -9.209 1.00 0.00 H new ATOM 444 N ALA A 167 30.118 -4.895 -6.536 1.00 0.00 N ATOM 445 CA ALA A 167 30.439 -3.540 -6.142 1.00 0.00 C ATOM 446 C ALA A 167 30.506 -2.655 -7.388 1.00 0.00 C ATOM 447 O ALA A 167 30.078 -1.505 -7.354 1.00 0.00 O ATOM 448 CB ALA A 167 31.776 -3.531 -5.399 1.00 0.00 C ATOM 0 H ALA A 167 30.814 -5.590 -6.264 1.00 0.00 H new ATOM 0 HA ALA A 167 29.668 -3.150 -5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 167 32.020 -2.511 -5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.704 -4.161 -4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.559 -3.915 -6.053 1.00 0.00 H new ATOM 454 N GLU A 168 31.047 -3.203 -8.489 1.00 0.00 N ATOM 455 CA GLU A 168 31.187 -2.469 -9.739 1.00 0.00 C ATOM 456 C GLU A 168 29.906 -2.580 -10.569 1.00 0.00 C ATOM 457 O GLU A 168 29.446 -1.586 -11.126 1.00 0.00 O ATOM 458 CB GLU A 168 32.389 -3.018 -10.519 1.00 0.00 C ATOM 459 CG GLU A 168 33.673 -2.300 -10.080 1.00 0.00 C ATOM 460 CD GLU A 168 33.955 -2.512 -8.597 1.00 0.00 C ATOM 461 OE1 GLU A 168 34.544 -3.569 -8.277 1.00 0.00 O ATOM 462 OE2 GLU A 168 33.580 -1.611 -7.810 1.00 0.00 O ATOM 0 H GLU A 168 31.395 -4.161 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 168 31.356 -1.414 -9.522 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.485 -4.090 -10.347 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.233 -2.879 -11.589 1.00 0.00 H new ATOM 0 HG2 GLU A 168 34.515 -2.667 -10.667 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.582 -1.233 -10.285 1.00 0.00 H new ATOM 469 N ILE A 169 29.326 -3.784 -10.654 1.00 0.00 N ATOM 470 CA ILE A 169 28.099 -3.990 -11.423 1.00 0.00 C ATOM 471 C ILE A 169 26.986 -3.108 -10.843 1.00 0.00 C ATOM 472 O ILE A 169 26.230 -2.482 -11.585 1.00 0.00 O ATOM 473 CB ILE A 169 27.697 -5.477 -11.390 1.00 0.00 C ATOM 474 CG1 ILE A 169 28.834 -6.350 -11.956 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.435 -5.680 -12.240 1.00 0.00 C ATOM 476 CD1 ILE A 169 28.707 -7.788 -11.438 1.00 0.00 C ATOM 0 H ILE A 169 29.687 -4.624 -10.201 1.00 0.00 H new ATOM 0 HA ILE A 169 28.265 -3.710 -12.463 1.00 0.00 H new ATOM 0 HB ILE A 169 27.504 -5.769 -10.358 1.00 0.00 H new ATOM 0 HG12 ILE A 169 28.799 -6.344 -13.045 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.799 -5.935 -11.666 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.147 -6.731 -12.219 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.624 -5.074 -11.837 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.637 -5.379 -13.268 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.516 -8.394 -11.845 1.00 0.00 H new ATOM 0 HD12 ILE A 169 28.765 -7.789 -10.350 1.00 0.00 H new ATOM 0 HD13 ILE A 169 27.749 -8.204 -11.751 1.00 0.00 H new ATOM 488 N ALA A 170 26.901 -3.063 -9.511 1.00 0.00 N ATOM 489 CA ALA A 170 25.907 -2.267 -8.809 1.00 0.00 C ATOM 490 C ALA A 170 26.093 -0.777 -9.130 1.00 0.00 C ATOM 491 O ALA A 170 25.129 -0.020 -9.107 1.00 0.00 O ATOM 492 CB ALA A 170 26.023 -2.528 -7.300 1.00 0.00 C ATOM 0 H ALA A 170 27.525 -3.582 -8.892 1.00 0.00 H new ATOM 0 HA ALA A 170 24.909 -2.554 -9.139 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.279 -1.933 -6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.852 -3.586 -7.099 1.00 0.00 H new ATOM 0 HB3 ALA A 170 27.020 -2.251 -6.958 1.00 0.00 H new ATOM 498 N LYS A 171 27.331 -0.354 -9.440 1.00 0.00 N ATOM 499 CA LYS A 171 27.594 1.035 -9.805 1.00 0.00 C ATOM 500 C LYS A 171 26.904 1.346 -11.135 1.00 0.00 C ATOM 501 O LYS A 171 26.321 2.415 -11.297 1.00 0.00 O ATOM 502 CB LYS A 171 29.113 1.281 -9.917 1.00 0.00 C ATOM 503 CG LYS A 171 29.563 2.384 -8.940 1.00 0.00 C ATOM 504 CD LYS A 171 30.129 1.756 -7.662 1.00 0.00 C ATOM 505 CE LYS A 171 31.570 1.285 -7.911 1.00 0.00 C ATOM 506 NZ LYS A 171 32.011 0.347 -6.865 1.00 0.00 N ATOM 0 H LYS A 171 28.155 -0.955 -9.443 1.00 0.00 H new ATOM 0 HA LYS A 171 27.199 1.693 -9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.652 0.358 -9.703 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.365 1.568 -10.938 1.00 0.00 H new ATOM 0 HG2 LYS A 171 30.319 3.012 -9.411 1.00 0.00 H new ATOM 0 HG3 LYS A 171 28.720 3.030 -8.695 1.00 0.00 H new ATOM 0 HD2 LYS A 171 30.109 2.482 -6.849 1.00 0.00 H new ATOM 0 HD3 LYS A 171 29.509 0.914 -7.354 1.00 0.00 H new ATOM 0 HE2 LYS A 171 31.635 0.803 -8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 171 32.238 2.146 -7.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.907 -0.097 -7.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 32.150 0.863 -5.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 31.288 -0.388 -6.731 1.00 0.00 H new ATOM 520 N LEU A 172 26.974 0.401 -12.085 1.00 0.00 N ATOM 521 CA LEU A 172 26.355 0.569 -13.394 1.00 0.00 C ATOM 522 C LEU A 172 24.833 0.585 -13.247 1.00 0.00 C ATOM 523 O LEU A 172 24.152 1.324 -13.957 1.00 0.00 O ATOM 524 CB LEU A 172 26.790 -0.571 -14.328 1.00 0.00 C ATOM 525 CG LEU A 172 28.321 -0.607 -14.474 1.00 0.00 C ATOM 526 CD1 LEU A 172 28.718 -1.825 -15.311 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.818 0.667 -15.167 1.00 0.00 C ATOM 0 H LEU A 172 27.457 -0.489 -11.963 1.00 0.00 H new ATOM 0 HA LEU A 172 26.677 1.516 -13.826 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.436 -1.524 -13.935 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.330 -0.440 -15.308 1.00 0.00 H new ATOM 0 HG LEU A 172 28.772 -0.671 -13.484 1.00 0.00 H new ATOM 0 HD11 LEU A 172 29.802 -1.855 -15.418 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.376 -2.734 -14.816 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.258 -1.755 -16.297 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.903 0.629 -15.264 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.368 0.742 -16.157 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.537 1.537 -14.574 1.00 0.00 H new ATOM 539 N LEU A 173 24.306 -0.233 -12.321 1.00 0.00 N ATOM 540 CA LEU A 173 22.871 -0.314 -12.065 1.00 0.00 C ATOM 541 C LEU A 173 22.594 0.052 -10.600 1.00 0.00 C ATOM 542 O LEU A 173 22.440 -0.839 -9.770 1.00 0.00 O ATOM 543 CB LEU A 173 22.385 -1.743 -12.359 1.00 0.00 C ATOM 544 CG LEU A 173 22.588 -2.100 -13.841 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.301 -3.590 -14.041 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.636 -1.280 -14.720 1.00 0.00 C ATOM 0 H LEU A 173 24.866 -0.852 -11.734 1.00 0.00 H new ATOM 0 HA LEU A 173 22.337 0.384 -12.710 1.00 0.00 H new ATOM 0 HB2 LEU A 173 22.927 -2.451 -11.733 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.330 -1.832 -12.101 1.00 0.00 H new ATOM 0 HG LEU A 173 23.616 -1.874 -14.125 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.443 -3.850 -15.090 1.00 0.00 H new ATOM 0 HD12 LEU A 173 22.982 -4.178 -13.426 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.273 -3.805 -13.750 1.00 0.00 H new ATOM 0 HD21 LEU A 173 21.790 -1.543 -15.767 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.605 -1.496 -14.440 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.835 -0.218 -14.579 1.00 0.00 H new ATOM 558 N PRO A 174 22.529 1.365 -10.274 1.00 0.00 N ATOM 559 CA PRO A 174 22.302 1.828 -8.914 1.00 0.00 C ATOM 560 C PRO A 174 21.035 1.214 -8.315 1.00 0.00 C ATOM 561 O PRO A 174 21.029 0.823 -7.149 1.00 0.00 O ATOM 562 CB PRO A 174 22.198 3.353 -9.002 1.00 0.00 C ATOM 563 CG PRO A 174 22.515 3.740 -10.452 1.00 0.00 C ATOM 564 CD PRO A 174 22.684 2.438 -11.234 1.00 0.00 C ATOM 0 HA PRO A 174 23.115 1.524 -8.254 1.00 0.00 H new ATOM 0 HB2 PRO A 174 21.199 3.688 -8.723 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.898 3.828 -8.314 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.711 4.343 -10.875 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.423 4.340 -10.501 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.940 2.361 -12.027 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.663 2.395 -11.711 1.00 0.00 H new ATOM 572 N GLY A 175 19.963 1.130 -9.115 1.00 0.00 N ATOM 573 CA GLY A 175 18.700 0.562 -8.661 1.00 0.00 C ATOM 574 C GLY A 175 18.892 -0.885 -8.201 1.00 0.00 C ATOM 575 O GLY A 175 18.183 -1.353 -7.311 1.00 0.00 O ATOM 0 H GLY A 175 19.953 1.452 -10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.301 1.159 -7.841 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.968 0.598 -9.468 1.00 0.00 H new ATOM 579 N ARG A 176 19.853 -1.589 -8.812 1.00 0.00 N ATOM 580 CA ARG A 176 20.142 -2.971 -8.476 1.00 0.00 C ATOM 581 C ARG A 176 21.320 -3.016 -7.503 1.00 0.00 C ATOM 582 O ARG A 176 22.475 -3.064 -7.921 1.00 0.00 O ATOM 583 CB ARG A 176 20.466 -3.747 -9.757 1.00 0.00 C ATOM 584 CG ARG A 176 19.332 -3.600 -10.784 1.00 0.00 C ATOM 585 CD ARG A 176 18.033 -4.193 -10.229 1.00 0.00 C ATOM 586 NE ARG A 176 17.115 -4.539 -11.325 1.00 0.00 N ATOM 587 CZ ARG A 176 16.109 -5.424 -11.195 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.831 -5.962 -10.000 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.384 -5.768 -12.267 1.00 0.00 N ATOM 0 H ARG A 176 20.446 -1.209 -9.550 1.00 0.00 H new ATOM 0 HA ARG A 176 19.276 -3.431 -8.000 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.399 -3.380 -10.184 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.616 -4.801 -9.522 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.185 -2.547 -11.026 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.604 -4.105 -11.711 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.255 -5.082 -9.639 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.556 -3.477 -9.560 1.00 0.00 H new ATOM 0 HE ARG A 176 17.247 -4.086 -12.229 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.383 -5.702 -9.183 1.00 0.00 H new ATOM 0 HH12 ARG A 176 15.068 -6.632 -9.908 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.595 -5.360 -13.178 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.621 -6.438 -12.173 1.00 0.00 H new ATOM 603 N THR A 177 21.020 -2.995 -6.201 1.00 0.00 N ATOM 604 CA THR A 177 22.048 -3.009 -5.168 1.00 0.00 C ATOM 605 C THR A 177 22.899 -4.280 -5.265 1.00 0.00 C ATOM 606 O THR A 177 22.507 -5.258 -5.905 1.00 0.00 O ATOM 607 CB THR A 177 21.386 -2.909 -3.790 1.00 0.00 C ATOM 608 OG1 THR A 177 20.463 -3.966 -3.628 1.00 0.00 O ATOM 609 CG2 THR A 177 20.656 -1.569 -3.656 1.00 0.00 C ATOM 0 H THR A 177 20.066 -2.968 -5.841 1.00 0.00 H new ATOM 0 HA THR A 177 22.708 -2.154 -5.312 1.00 0.00 H new ATOM 0 HB THR A 177 22.156 -2.977 -3.021 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.930 -3.814 -2.820 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.188 -1.506 -2.673 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.369 -0.753 -3.771 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.890 -1.493 -4.428 1.00 0.00 H new ATOM 617 N ASP A 178 24.071 -4.255 -4.620 1.00 0.00 N ATOM 618 CA ASP A 178 24.998 -5.378 -4.622 1.00 0.00 C ATOM 619 C ASP A 178 24.290 -6.658 -4.179 1.00 0.00 C ATOM 620 O ASP A 178 24.494 -7.714 -4.770 1.00 0.00 O ATOM 621 CB ASP A 178 26.173 -5.064 -3.683 1.00 0.00 C ATOM 622 CG ASP A 178 25.781 -5.272 -2.222 1.00 0.00 C ATOM 623 OD1 ASP A 178 24.966 -4.461 -1.729 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.295 -6.250 -1.631 1.00 0.00 O ATOM 0 H ASP A 178 24.398 -3.452 -4.083 1.00 0.00 H new ATOM 0 HA ASP A 178 25.374 -5.533 -5.633 1.00 0.00 H new ATOM 0 HB2 ASP A 178 27.020 -5.704 -3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.497 -4.034 -3.833 1.00 0.00 H new ATOM 629 N ASN A 179 23.466 -6.559 -3.131 1.00 0.00 N ATOM 630 CA ASN A 179 22.754 -7.703 -2.591 1.00 0.00 C ATOM 631 C ASN A 179 21.685 -8.177 -3.573 1.00 0.00 C ATOM 632 O ASN A 179 21.468 -9.375 -3.707 1.00 0.00 O ATOM 633 CB ASN A 179 22.142 -7.341 -1.231 1.00 0.00 C ATOM 634 CG ASN A 179 21.225 -6.127 -1.330 1.00 0.00 C ATOM 635 OD1 ASN A 179 21.790 -4.931 -1.153 1.00 0.00 O flip ATOM 636 ND2 ASN A 179 20.028 -6.269 -1.562 1.00 0.00 N flip ATOM 0 H ASN A 179 23.280 -5.684 -2.641 1.00 0.00 H new ATOM 0 HA ASN A 179 23.455 -8.525 -2.443 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.579 -8.192 -0.847 1.00 0.00 H new ATOM 0 HB3 ASN A 179 22.939 -7.138 -0.516 1.00 0.00 H new ATOM 0 HD21 ASN A 179 19.641 -7.204 -1.690 1.00 0.00 H new ATOM 0 HD22 ASN A 179 19.421 -5.452 -1.627 1.00 0.00 H new ATOM 643 N ALA A 180 21.020 -7.243 -4.263 1.00 0.00 N ATOM 644 CA ALA A 180 19.978 -7.596 -5.216 1.00 0.00 C ATOM 645 C ALA A 180 20.558 -8.463 -6.334 1.00 0.00 C ATOM 646 O ALA A 180 20.011 -9.523 -6.641 1.00 0.00 O ATOM 647 CB ALA A 180 19.348 -6.324 -5.786 1.00 0.00 C ATOM 0 H ALA A 180 21.189 -6.241 -4.175 1.00 0.00 H new ATOM 0 HA ALA A 180 19.204 -8.170 -4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.568 -6.592 -6.499 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.913 -5.739 -4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 180 20.113 -5.733 -6.290 1.00 0.00 H new ATOM 653 N ILE A 181 21.662 -8.015 -6.947 1.00 0.00 N ATOM 654 CA ILE A 181 22.281 -8.755 -8.044 1.00 0.00 C ATOM 655 C ILE A 181 22.925 -10.036 -7.514 1.00 0.00 C ATOM 656 O ILE A 181 22.735 -11.107 -8.084 1.00 0.00 O ATOM 657 CB ILE A 181 23.326 -7.882 -8.755 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.699 -6.539 -9.157 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.815 -8.615 -10.010 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.716 -5.688 -9.920 1.00 0.00 C ATOM 0 H ILE A 181 22.139 -7.148 -6.700 1.00 0.00 H new ATOM 0 HA ILE A 181 21.510 -9.024 -8.766 1.00 0.00 H new ATOM 0 HB ILE A 181 24.164 -7.695 -8.083 1.00 0.00 H new ATOM 0 HG12 ILE A 181 21.820 -6.711 -9.778 1.00 0.00 H new ATOM 0 HG13 ILE A 181 22.362 -6.006 -8.268 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.558 -8.003 -10.522 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.263 -9.567 -9.724 1.00 0.00 H new ATOM 0 HG23 ILE A 181 22.972 -8.797 -10.677 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.259 -4.739 -10.199 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.583 -5.501 -9.286 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.032 -6.217 -10.819 1.00 0.00 H new ATOM 672 N LYS A 182 23.691 -9.918 -6.425 1.00 0.00 N ATOM 673 CA LYS A 182 24.376 -11.052 -5.819 1.00 0.00 C ATOM 674 C LYS A 182 23.388 -12.184 -5.538 1.00 0.00 C ATOM 675 O LYS A 182 23.630 -13.328 -5.924 1.00 0.00 O ATOM 676 CB LYS A 182 25.053 -10.572 -4.532 1.00 0.00 C ATOM 677 CG LYS A 182 25.628 -11.751 -3.742 1.00 0.00 C ATOM 678 CD LYS A 182 26.644 -11.249 -2.699 1.00 0.00 C ATOM 679 CE LYS A 182 26.042 -10.124 -1.838 1.00 0.00 C ATOM 680 NZ LYS A 182 26.266 -8.794 -2.450 1.00 0.00 N ATOM 0 H LYS A 182 23.850 -9.033 -5.943 1.00 0.00 H new ATOM 0 HA LYS A 182 25.131 -11.445 -6.500 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.850 -9.870 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.332 -10.034 -3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.823 -12.292 -3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.111 -12.453 -4.422 1.00 0.00 H new ATOM 0 HD2 LYS A 182 26.952 -12.076 -2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 182 27.539 -10.886 -3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 182 24.972 -10.293 -1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 182 26.487 -10.148 -0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 26.301 -8.070 -1.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 27.166 -8.799 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 25.488 -8.578 -3.106 1.00 0.00 H new ATOM 694 N ASN A 183 22.280 -11.863 -4.865 1.00 0.00 N ATOM 695 CA ASN A 183 21.271 -12.854 -4.521 1.00 0.00 C ATOM 696 C ASN A 183 20.639 -13.422 -5.788 1.00 0.00 C ATOM 697 O ASN A 183 20.553 -14.637 -5.937 1.00 0.00 O ATOM 698 CB ASN A 183 20.203 -12.214 -3.626 1.00 0.00 C ATOM 699 CG ASN A 183 20.780 -11.805 -2.270 1.00 0.00 C ATOM 700 OD1 ASN A 183 21.945 -12.067 -1.975 1.00 0.00 O ATOM 701 ND2 ASN A 183 19.958 -11.159 -1.443 1.00 0.00 N ATOM 0 H ASN A 183 22.063 -10.918 -4.548 1.00 0.00 H new ATOM 0 HA ASN A 183 21.742 -13.672 -3.976 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.786 -11.339 -4.124 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.383 -12.917 -3.477 1.00 0.00 H new ATOM 0 HD21 ASN A 183 20.288 -10.862 -0.525 1.00 0.00 H new ATOM 0 HD22 ASN A 183 18.999 -10.962 -1.728 1.00 0.00 H new ATOM 708 N HIS A 184 20.195 -12.541 -6.700 1.00 0.00 N ATOM 709 CA HIS A 184 19.557 -12.962 -7.944 1.00 0.00 C ATOM 710 C HIS A 184 20.427 -13.987 -8.671 1.00 0.00 C ATOM 711 O HIS A 184 19.950 -15.071 -9.021 1.00 0.00 O ATOM 712 CB HIS A 184 19.317 -11.739 -8.832 1.00 0.00 C ATOM 713 CG HIS A 184 18.878 -12.112 -10.225 1.00 0.00 C ATOM 714 ND1 HIS A 184 17.901 -13.070 -10.477 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.266 -11.671 -11.464 1.00 0.00 C ATOM 716 CE1 HIS A 184 17.766 -13.143 -11.817 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.571 -12.312 -12.478 1.00 0.00 N ATOM 0 H HIS A 184 20.270 -11.530 -6.592 1.00 0.00 H new ATOM 0 HA HIS A 184 18.600 -13.431 -7.714 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.558 -11.105 -8.373 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.233 -11.150 -8.889 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.021 -10.917 -11.630 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.072 -13.810 -12.307 1.00 0.00 H new ATOM 0 HE2 HIS A 184 18.655 -12.180 -13.486 1.00 0.00 H new ATOM 725 N TRP A 185 21.700 -13.643 -8.900 1.00 0.00 N ATOM 726 CA TRP A 185 22.623 -14.531 -9.578 1.00 0.00 C ATOM 727 C TRP A 185 22.710 -15.847 -8.816 1.00 0.00 C ATOM 728 O TRP A 185 22.539 -16.915 -9.401 1.00 0.00 O ATOM 729 CB TRP A 185 23.996 -13.868 -9.692 1.00 0.00 C ATOM 730 CG TRP A 185 25.018 -14.683 -10.428 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.721 -15.697 -9.908 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.470 -14.575 -11.811 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.574 -16.240 -10.838 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.466 -15.577 -12.043 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.147 -13.739 -12.899 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.104 -15.732 -13.275 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.791 -13.889 -14.147 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.768 -14.882 -14.333 1.00 0.00 C ATOM 0 H TRP A 185 22.106 -12.750 -8.620 1.00 0.00 H new ATOM 0 HA TRP A 185 22.264 -14.737 -10.586 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.882 -12.909 -10.197 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.369 -13.659 -8.690 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.629 -16.043 -8.889 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.201 -17.025 -10.662 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.396 -12.973 -12.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.850 -16.501 -13.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.530 -13.235 -14.966 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.258 -14.988 -15.290 1.00 0.00 H new ATOM 749 N ASN A 186 22.971 -15.771 -7.506 1.00 0.00 N ATOM 750 CA ASN A 186 23.084 -16.958 -6.674 1.00 0.00 C ATOM 751 C ASN A 186 21.696 -17.434 -6.240 1.00 0.00 C ATOM 752 O ASN A 186 21.455 -17.651 -5.054 1.00 0.00 O ATOM 753 CB ASN A 186 23.968 -16.649 -5.462 1.00 0.00 C ATOM 754 CG ASN A 186 25.419 -16.452 -5.889 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.177 -17.416 -5.968 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.802 -15.206 -6.167 1.00 0.00 N ATOM 0 H ASN A 186 23.107 -14.893 -7.005 1.00 0.00 H new ATOM 0 HA ASN A 186 23.548 -17.762 -7.246 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.606 -15.751 -4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.903 -17.464 -4.741 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.761 -15.021 -6.460 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.136 -14.438 -6.087 1.00 0.00 H new ATOM 763 N SER A 187 20.788 -17.607 -7.210 1.00 0.00 N ATOM 764 CA SER A 187 19.439 -18.088 -6.941 1.00 0.00 C ATOM 765 C SER A 187 18.861 -18.725 -8.201 1.00 0.00 C ATOM 766 O SER A 187 18.523 -19.906 -8.190 1.00 0.00 O ATOM 767 CB SER A 187 18.545 -16.937 -6.463 1.00 0.00 C ATOM 768 OG SER A 187 18.872 -16.600 -5.133 1.00 0.00 O ATOM 0 H SER A 187 20.973 -17.417 -8.195 1.00 0.00 H new ATOM 0 HA SER A 187 19.480 -18.838 -6.151 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.675 -16.070 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.496 -17.228 -6.527 1.00 0.00 H new ATOM 0 HG SER A 187 19.491 -15.840 -5.131 1.00 0.00 H new ATOM 774 N THR A 188 18.744 -17.942 -9.289 1.00 0.00 N ATOM 775 CA THR A 188 18.179 -18.444 -10.540 1.00 0.00 C ATOM 776 C THR A 188 18.962 -17.895 -11.737 1.00 0.00 C ATOM 777 O THR A 188 18.372 -17.361 -12.672 1.00 0.00 O ATOM 778 CB THR A 188 16.690 -18.049 -10.624 1.00 0.00 C ATOM 779 OG1 THR A 188 16.081 -18.197 -9.358 1.00 0.00 O ATOM 780 CG2 THR A 188 15.967 -18.952 -11.629 1.00 0.00 C ATOM 0 H THR A 188 19.034 -16.965 -9.320 1.00 0.00 H new ATOM 0 HA THR A 188 18.256 -19.531 -10.563 1.00 0.00 H new ATOM 0 HB THR A 188 16.622 -17.010 -10.946 1.00 0.00 H new ATOM 0 HG1 THR A 188 15.136 -17.943 -9.418 1.00 0.00 H new ATOM 0 HG21 THR A 188 14.916 -18.668 -11.683 1.00 0.00 H new ATOM 0 HG22 THR A 188 16.424 -18.841 -12.612 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.046 -19.990 -11.307 1.00 0.00 H new ATOM 788 N MET A 189 20.294 -18.036 -11.710 1.00 0.00 N ATOM 789 CA MET A 189 21.139 -17.584 -12.810 1.00 0.00 C ATOM 790 C MET A 189 22.484 -18.318 -12.780 1.00 0.00 C ATOM 791 O MET A 189 23.037 -18.631 -13.832 1.00 0.00 O ATOM 792 CB MET A 189 21.341 -16.066 -12.713 1.00 0.00 C ATOM 793 CG MET A 189 20.610 -15.356 -13.860 1.00 0.00 C ATOM 794 SD MET A 189 21.117 -13.633 -14.087 1.00 0.00 S ATOM 795 CE MET A 189 22.601 -13.910 -15.079 1.00 0.00 C ATOM 0 H MET A 189 20.804 -18.460 -10.936 1.00 0.00 H new ATOM 0 HA MET A 189 20.652 -17.811 -13.758 1.00 0.00 H new ATOM 0 HB2 MET A 189 20.968 -15.703 -11.755 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.405 -15.831 -12.750 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.787 -15.903 -14.786 1.00 0.00 H new ATOM 0 HG3 MET A 189 19.537 -15.388 -13.671 1.00 0.00 H new ATOM 0 HE1 MET A 189 23.243 -13.031 -15.026 1.00 0.00 H new ATOM 0 HE2 MET A 189 23.139 -14.777 -14.695 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.317 -14.090 -16.116 1.00 0.00 H new ATOM 805 N ARG A 190 23.011 -18.595 -11.575 1.00 0.00 N ATOM 806 CA ARG A 190 24.277 -19.308 -11.429 1.00 0.00 C ATOM 807 C ARG A 190 24.162 -20.717 -12.020 1.00 0.00 C ATOM 808 O ARG A 190 23.070 -21.163 -12.373 1.00 0.00 O ATOM 809 CB ARG A 190 24.674 -19.370 -9.945 1.00 0.00 C ATOM 810 CG ARG A 190 23.589 -20.081 -9.124 1.00 0.00 C ATOM 811 CD ARG A 190 24.126 -20.384 -7.722 1.00 0.00 C ATOM 812 NE ARG A 190 23.022 -20.564 -6.768 1.00 0.00 N ATOM 813 CZ ARG A 190 23.178 -20.488 -5.432 1.00 0.00 C ATOM 814 NH1 ARG A 190 24.390 -20.263 -4.903 1.00 0.00 N ATOM 815 NH2 ARG A 190 22.117 -20.638 -4.629 1.00 0.00 N ATOM 0 H ARG A 190 22.574 -18.333 -10.691 1.00 0.00 H new ATOM 0 HA ARG A 190 25.054 -18.772 -11.974 1.00 0.00 H new ATOM 0 HB2 ARG A 190 25.622 -19.897 -9.838 1.00 0.00 H new ATOM 0 HB3 ARG A 190 24.825 -18.361 -9.561 1.00 0.00 H new ATOM 0 HG2 ARG A 190 22.700 -19.454 -9.057 1.00 0.00 H new ATOM 0 HG3 ARG A 190 23.291 -21.005 -9.619 1.00 0.00 H new ATOM 0 HD2 ARG A 190 24.739 -21.285 -7.749 1.00 0.00 H new ATOM 0 HD3 ARG A 190 24.770 -19.570 -7.390 1.00 0.00 H new ATOM 0 HE ARG A 190 22.090 -20.756 -7.136 1.00 0.00 H new ATOM 0 HH11 ARG A 190 25.199 -20.148 -5.513 1.00 0.00 H new ATOM 0 HH12 ARG A 190 24.502 -20.206 -3.891 1.00 0.00 H new ATOM 0 HH21 ARG A 190 21.195 -20.809 -5.029 1.00 0.00 H new ATOM 0 HH22 ARG A 190 22.231 -20.581 -3.617 1.00 0.00 H new