USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=7 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 184 HIS : no HD1:sc= -0.241 K(o=0.023,f=-1.6) USER MOD Set 1.2: A 188 THR OG1 : rot 131:sc= 0.385 USER MOD Set 1.3: A 189 MET CE :methyl 171:sc= -0.12 (180deg=-0.277) USER MOD Set 2.1: A 179 ASN : amide:sc= 1.06 K(o=2.2,f=-4.7) USER MOD Set 2.2: A 182 LYS NZ :NH3+ -138:sc= 1.18 (180deg=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 159 HIS : no HD1:sc= -0.598 X(o=-0.6,f=-0.76) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 ASN : amide:sc= 0 X(o=0,f=0.34) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 THR OG1 : rot 180:sc=-0.00545 USER MOD Single : A 183 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 186 ASN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 187 SER OG : rot 94:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.443 -10.378 -12.632 1.00 0.00 N ATOM 89 CA TRP A 147 14.479 -9.777 -13.473 1.00 0.00 C ATOM 90 C TRP A 147 14.102 -9.912 -14.956 1.00 0.00 C ATOM 91 O TRP A 147 13.034 -10.432 -15.288 1.00 0.00 O ATOM 92 CB TRP A 147 15.847 -10.418 -13.172 1.00 0.00 C ATOM 93 CG TRP A 147 16.535 -9.866 -11.964 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.345 -10.268 -10.696 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.536 -8.809 -11.887 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.144 -9.557 -9.830 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.907 -8.634 -10.516 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.175 -7.976 -12.832 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.856 -7.692 -10.111 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.131 -7.022 -12.426 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.470 -6.883 -11.072 1.00 0.00 C ATOM 0 HA TRP A 147 14.555 -8.714 -13.246 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.710 -11.491 -13.039 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.496 -10.284 -14.038 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.657 -11.045 -10.397 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.169 -9.693 -8.819 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.928 -8.071 -13.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.113 -7.590 -9.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.606 -6.393 -13.164 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.205 -6.151 -10.772 1.00 0.00 H new ATOM 112 N THR A 148 14.979 -9.428 -15.846 1.00 0.00 N ATOM 113 CA THR A 148 14.744 -9.477 -17.281 1.00 0.00 C ATOM 114 C THR A 148 16.023 -9.904 -17.991 1.00 0.00 C ATOM 115 O THR A 148 17.119 -9.532 -17.576 1.00 0.00 O ATOM 116 CB THR A 148 14.294 -8.095 -17.775 1.00 0.00 C ATOM 117 OG1 THR A 148 15.290 -7.140 -17.474 1.00 0.00 O ATOM 118 CG2 THR A 148 12.981 -7.696 -17.096 1.00 0.00 C ATOM 0 H THR A 148 15.865 -8.995 -15.585 1.00 0.00 H new ATOM 0 HA THR A 148 13.960 -10.201 -17.501 1.00 0.00 H new ATOM 0 HB THR A 148 14.139 -8.135 -18.853 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.004 -6.258 -17.791 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.670 -6.714 -17.453 1.00 0.00 H new ATOM 0 HG22 THR A 148 12.211 -8.429 -17.334 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.126 -7.660 -16.016 1.00 0.00 H new ATOM 126 N GLU A 149 15.876 -10.684 -19.068 1.00 0.00 N ATOM 127 CA GLU A 149 17.008 -11.163 -19.848 1.00 0.00 C ATOM 128 C GLU A 149 17.918 -9.993 -20.231 1.00 0.00 C ATOM 129 O GLU A 149 19.138 -10.132 -20.241 1.00 0.00 O ATOM 130 CB GLU A 149 16.494 -11.878 -21.106 1.00 0.00 C ATOM 131 CG GLU A 149 16.015 -13.297 -20.755 1.00 0.00 C ATOM 132 CD GLU A 149 14.814 -13.276 -19.812 1.00 0.00 C ATOM 133 OE1 GLU A 149 13.946 -12.396 -20.007 1.00 0.00 O ATOM 134 OE2 GLU A 149 14.782 -14.142 -18.911 1.00 0.00 O ATOM 0 H GLU A 149 14.970 -10.996 -19.417 1.00 0.00 H new ATOM 0 HA GLU A 149 17.588 -11.866 -19.250 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.675 -11.309 -21.547 1.00 0.00 H new ATOM 0 HB3 GLU A 149 17.286 -11.929 -21.853 1.00 0.00 H new ATOM 0 HG2 GLU A 149 15.749 -13.827 -21.670 1.00 0.00 H new ATOM 0 HG3 GLU A 149 16.831 -13.851 -20.291 1.00 0.00 H new ATOM 141 N GLU A 150 17.316 -8.839 -20.545 1.00 0.00 N ATOM 142 CA GLU A 150 18.063 -7.652 -20.926 1.00 0.00 C ATOM 143 C GLU A 150 19.073 -7.292 -19.833 1.00 0.00 C ATOM 144 O GLU A 150 20.249 -7.081 -20.123 1.00 0.00 O ATOM 145 CB GLU A 150 17.078 -6.499 -21.174 1.00 0.00 C ATOM 146 CG GLU A 150 17.791 -5.321 -21.856 1.00 0.00 C ATOM 147 CD GLU A 150 18.269 -5.684 -23.262 1.00 0.00 C ATOM 148 OE1 GLU A 150 17.720 -6.656 -23.827 1.00 0.00 O ATOM 149 OE2 GLU A 150 19.181 -4.984 -23.749 1.00 0.00 O ATOM 0 H GLU A 150 16.304 -8.710 -20.540 1.00 0.00 H new ATOM 0 HA GLU A 150 18.621 -7.842 -21.843 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.254 -6.844 -21.799 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.646 -6.172 -20.228 1.00 0.00 H new ATOM 0 HG2 GLU A 150 17.114 -4.469 -21.911 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.643 -5.012 -21.251 1.00 0.00 H new ATOM 156 N GLU A 151 18.612 -7.226 -18.579 1.00 0.00 N ATOM 157 CA GLU A 151 19.475 -6.889 -17.457 1.00 0.00 C ATOM 158 C GLU A 151 20.484 -8.014 -17.206 1.00 0.00 C ATOM 159 O GLU A 151 21.651 -7.743 -16.917 1.00 0.00 O ATOM 160 CB GLU A 151 18.619 -6.646 -16.212 1.00 0.00 C ATOM 161 CG GLU A 151 17.865 -5.318 -16.345 1.00 0.00 C ATOM 162 CD GLU A 151 17.117 -4.988 -15.057 1.00 0.00 C ATOM 163 OE1 GLU A 151 17.808 -4.718 -14.054 1.00 0.00 O ATOM 164 OE2 GLU A 151 15.867 -5.009 -15.095 1.00 0.00 O ATOM 0 H GLU A 151 17.641 -7.403 -18.322 1.00 0.00 H new ATOM 0 HA GLU A 151 20.031 -5.981 -17.689 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.911 -7.464 -16.082 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.251 -6.628 -15.324 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.567 -4.518 -16.578 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.161 -5.376 -17.175 1.00 0.00 H new ATOM 171 N ASP A 152 20.037 -9.274 -17.314 1.00 0.00 N ATOM 172 CA ASP A 152 20.908 -10.426 -17.099 1.00 0.00 C ATOM 173 C ASP A 152 22.152 -10.322 -17.987 1.00 0.00 C ATOM 174 O ASP A 152 23.254 -10.624 -17.534 1.00 0.00 O ATOM 175 CB ASP A 152 20.145 -11.724 -17.391 1.00 0.00 C ATOM 176 CG ASP A 152 19.235 -12.113 -16.227 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.477 -11.231 -15.774 1.00 0.00 O ATOM 178 OD2 ASP A 152 19.316 -13.292 -15.815 1.00 0.00 O ATOM 0 H ASP A 152 19.074 -9.515 -17.550 1.00 0.00 H new ATOM 0 HA ASP A 152 21.228 -10.438 -16.057 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.549 -11.601 -18.295 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.854 -12.529 -17.584 1.00 0.00 H new ATOM 183 N ARG A 153 21.981 -9.892 -19.250 1.00 0.00 N ATOM 184 CA ARG A 153 23.107 -9.751 -20.170 1.00 0.00 C ATOM 185 C ARG A 153 24.147 -8.789 -19.592 1.00 0.00 C ATOM 186 O ARG A 153 25.340 -9.067 -19.654 1.00 0.00 O ATOM 187 CB ARG A 153 22.630 -9.239 -21.534 1.00 0.00 C ATOM 188 CG ARG A 153 21.767 -10.295 -22.236 1.00 0.00 C ATOM 189 CD ARG A 153 21.982 -10.220 -23.755 1.00 0.00 C ATOM 190 NE ARG A 153 22.011 -8.826 -24.227 1.00 0.00 N ATOM 191 CZ ARG A 153 20.923 -8.037 -24.285 1.00 0.00 C ATOM 192 NH1 ARG A 153 19.708 -8.538 -24.035 1.00 0.00 N ATOM 193 NH2 ARG A 153 21.060 -6.743 -24.594 1.00 0.00 N ATOM 0 H ARG A 153 21.077 -9.639 -19.648 1.00 0.00 H new ATOM 0 HA ARG A 153 23.563 -10.732 -20.303 1.00 0.00 H new ATOM 0 HB2 ARG A 153 22.057 -8.321 -21.404 1.00 0.00 H new ATOM 0 HB3 ARG A 153 23.490 -8.992 -22.157 1.00 0.00 H new ATOM 0 HG2 ARG A 153 22.026 -11.289 -21.872 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.715 -10.133 -22.000 1.00 0.00 H new ATOM 0 HD2 ARG A 153 22.918 -10.713 -24.016 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.184 -10.761 -24.264 1.00 0.00 H new ATOM 0 HE ARG A 153 22.905 -8.437 -24.527 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.602 -9.525 -23.798 1.00 0.00 H new ATOM 0 HH12 ARG A 153 18.888 -7.933 -24.081 1.00 0.00 H new ATOM 0 HH21 ARG A 153 21.986 -6.359 -24.784 1.00 0.00 H new ATOM 0 HH22 ARG A 153 20.239 -6.140 -24.640 1.00 0.00 H new ATOM 207 N ILE A 154 23.695 -7.657 -19.035 1.00 0.00 N ATOM 208 CA ILE A 154 24.599 -6.661 -18.468 1.00 0.00 C ATOM 209 C ILE A 154 25.409 -7.288 -17.336 1.00 0.00 C ATOM 210 O ILE A 154 26.635 -7.166 -17.303 1.00 0.00 O ATOM 211 CB ILE A 154 23.797 -5.450 -17.950 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.882 -4.881 -19.056 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.764 -4.363 -17.463 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.671 -4.601 -20.341 1.00 0.00 C ATOM 0 H ILE A 154 22.707 -7.413 -18.968 1.00 0.00 H new ATOM 0 HA ILE A 154 25.283 -6.315 -19.243 1.00 0.00 H new ATOM 0 HB ILE A 154 23.169 -5.779 -17.122 1.00 0.00 H new ATOM 0 HG12 ILE A 154 22.079 -5.588 -19.266 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.414 -3.961 -18.706 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.196 -3.508 -17.097 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.382 -4.760 -16.657 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.403 -4.048 -18.288 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.999 -4.201 -21.101 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.458 -3.875 -20.134 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.118 -5.527 -20.703 1.00 0.00 H new ATOM 226 N ILE A 155 24.720 -7.960 -16.408 1.00 0.00 N ATOM 227 CA ILE A 155 25.372 -8.594 -15.273 1.00 0.00 C ATOM 228 C ILE A 155 26.381 -9.630 -15.767 1.00 0.00 C ATOM 229 O ILE A 155 27.491 -9.690 -15.262 1.00 0.00 O ATOM 230 CB ILE A 155 24.313 -9.244 -14.367 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.433 -8.151 -13.742 1.00 0.00 C ATOM 232 CG2 ILE A 155 25.006 -10.044 -13.252 1.00 0.00 C ATOM 233 CD1 ILE A 155 22.108 -8.752 -13.274 1.00 0.00 C ATOM 0 H ILE A 155 23.707 -8.075 -16.427 1.00 0.00 H new ATOM 0 HA ILE A 155 25.910 -7.844 -14.693 1.00 0.00 H new ATOM 0 HB ILE A 155 23.693 -9.916 -14.961 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.951 -7.692 -12.900 1.00 0.00 H new ATOM 0 HG13 ILE A 155 23.247 -7.362 -14.470 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.253 -10.503 -12.612 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.629 -10.821 -13.695 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.629 -9.375 -12.658 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.490 -7.970 -12.832 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.586 -9.190 -14.125 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.302 -9.525 -12.531 1.00 0.00 H new ATOM 245 N TYR A 156 25.989 -10.444 -16.751 1.00 0.00 N ATOM 246 CA TYR A 156 26.853 -11.485 -17.292 1.00 0.00 C ATOM 247 C TYR A 156 28.104 -10.876 -17.925 1.00 0.00 C ATOM 248 O TYR A 156 29.215 -11.335 -17.664 1.00 0.00 O ATOM 249 CB TYR A 156 26.064 -12.303 -18.318 1.00 0.00 C ATOM 250 CG TYR A 156 26.750 -13.592 -18.713 1.00 0.00 C ATOM 251 CD1 TYR A 156 27.694 -13.600 -19.755 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.441 -14.786 -18.036 1.00 0.00 C ATOM 253 CE1 TYR A 156 28.329 -14.800 -20.119 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.076 -15.985 -18.401 1.00 0.00 C ATOM 255 CZ TYR A 156 28.019 -15.992 -19.443 1.00 0.00 C ATOM 256 OH TYR A 156 28.637 -17.156 -19.797 1.00 0.00 O ATOM 0 H TYR A 156 25.069 -10.397 -17.189 1.00 0.00 H new ATOM 0 HA TYR A 156 27.181 -12.140 -16.485 1.00 0.00 H new ATOM 0 HB2 TYR A 156 25.080 -12.534 -17.909 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.904 -11.697 -19.210 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.931 -12.684 -20.276 1.00 0.00 H new ATOM 0 HD2 TYR A 156 25.716 -14.781 -17.236 1.00 0.00 H new ATOM 0 HE1 TYR A 156 29.055 -14.806 -20.918 1.00 0.00 H new ATOM 0 HE2 TYR A 156 26.839 -16.901 -17.881 1.00 0.00 H new ATOM 0 HH TYR A 156 28.310 -17.886 -19.230 1.00 0.00 H new ATOM 266 N GLN A 157 27.919 -9.849 -18.759 1.00 0.00 N ATOM 267 CA GLN A 157 29.022 -9.192 -19.446 1.00 0.00 C ATOM 268 C GLN A 157 30.050 -8.670 -18.439 1.00 0.00 C ATOM 269 O GLN A 157 31.253 -8.783 -18.667 1.00 0.00 O ATOM 270 CB GLN A 157 28.461 -8.046 -20.298 1.00 0.00 C ATOM 271 CG GLN A 157 29.576 -7.424 -21.146 1.00 0.00 C ATOM 272 CD GLN A 157 29.026 -6.335 -22.065 1.00 0.00 C ATOM 273 OE1 GLN A 157 27.850 -5.990 -21.994 1.00 0.00 O ATOM 274 NE2 GLN A 157 29.884 -5.793 -22.931 1.00 0.00 N ATOM 0 H GLN A 157 27.003 -9.455 -18.973 1.00 0.00 H new ATOM 0 HA GLN A 157 29.530 -9.908 -20.092 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.667 -8.419 -20.945 1.00 0.00 H new ATOM 0 HB3 GLN A 157 28.017 -7.287 -19.654 1.00 0.00 H new ATOM 0 HG2 GLN A 157 30.341 -7.002 -20.494 1.00 0.00 H new ATOM 0 HG3 GLN A 157 30.058 -8.198 -21.743 1.00 0.00 H new ATOM 0 HE21 GLN A 157 30.853 -6.111 -22.955 1.00 0.00 H new ATOM 0 HE22 GLN A 157 29.571 -5.061 -23.569 1.00 0.00 H new ATOM 283 N ALA A 158 29.575 -8.093 -17.332 1.00 0.00 N ATOM 284 CA ALA A 158 30.454 -7.535 -16.315 1.00 0.00 C ATOM 285 C ALA A 158 31.020 -8.638 -15.409 1.00 0.00 C ATOM 286 O ALA A 158 32.169 -8.554 -14.981 1.00 0.00 O ATOM 287 CB ALA A 158 29.669 -6.512 -15.497 1.00 0.00 C ATOM 0 H ALA A 158 28.581 -8.003 -17.122 1.00 0.00 H new ATOM 0 HA ALA A 158 31.301 -7.047 -16.797 1.00 0.00 H new ATOM 0 HB1 ALA A 158 30.316 -6.085 -14.730 1.00 0.00 H new ATOM 0 HB2 ALA A 158 29.312 -5.718 -16.153 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.818 -7.001 -15.023 1.00 0.00 H new ATOM 293 N HIS A 159 30.217 -9.665 -15.112 1.00 0.00 N ATOM 294 CA HIS A 159 30.637 -10.747 -14.230 1.00 0.00 C ATOM 295 C HIS A 159 31.776 -11.544 -14.862 1.00 0.00 C ATOM 296 O HIS A 159 32.788 -11.782 -14.219 1.00 0.00 O ATOM 297 CB HIS A 159 29.448 -11.663 -13.922 1.00 0.00 C ATOM 298 CG HIS A 159 29.802 -12.753 -12.941 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.493 -13.903 -13.308 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.582 -12.891 -11.594 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.641 -14.640 -12.188 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.106 -14.078 -11.105 1.00 0.00 N ATOM 0 H HIS A 159 29.269 -9.765 -15.474 1.00 0.00 H new ATOM 0 HA HIS A 159 31.000 -10.316 -13.297 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.629 -11.068 -13.519 1.00 0.00 H new ATOM 0 HB3 HIS A 159 29.090 -12.113 -14.848 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.063 -12.163 -10.988 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.145 -15.595 -12.171 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.087 -14.434 -10.149 1.00 0.00 H new ATOM 310 N LYS A 160 31.614 -11.962 -16.120 1.00 0.00 N ATOM 311 CA LYS A 160 32.642 -12.744 -16.797 1.00 0.00 C ATOM 312 C LYS A 160 33.916 -11.909 -16.995 1.00 0.00 C ATOM 313 O LYS A 160 34.982 -12.465 -17.250 1.00 0.00 O ATOM 314 CB LYS A 160 32.097 -13.270 -18.134 1.00 0.00 C ATOM 315 CG LYS A 160 31.843 -12.116 -19.114 1.00 0.00 C ATOM 316 CD LYS A 160 32.958 -12.069 -20.163 1.00 0.00 C ATOM 317 CE LYS A 160 32.725 -10.889 -21.109 1.00 0.00 C ATOM 318 NZ LYS A 160 33.748 -10.851 -22.169 1.00 0.00 N ATOM 0 H LYS A 160 30.786 -11.772 -16.684 1.00 0.00 H new ATOM 0 HA LYS A 160 32.909 -13.600 -16.177 1.00 0.00 H new ATOM 0 HB2 LYS A 160 32.807 -13.973 -18.570 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.170 -13.818 -17.963 1.00 0.00 H new ATOM 0 HG2 LYS A 160 30.877 -12.248 -19.602 1.00 0.00 H new ATOM 0 HG3 LYS A 160 31.800 -11.171 -18.573 1.00 0.00 H new ATOM 0 HD2 LYS A 160 33.927 -11.970 -19.674 1.00 0.00 H new ATOM 0 HD3 LYS A 160 32.980 -13.001 -20.727 1.00 0.00 H new ATOM 0 HE2 LYS A 160 31.735 -10.968 -21.557 1.00 0.00 H new ATOM 0 HE3 LYS A 160 32.746 -9.957 -20.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 33.567 -10.042 -22.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 34.690 -10.752 -21.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 33.710 -11.732 -22.720 1.00 0.00 H new ATOM 332 N ARG A 161 33.804 -10.576 -16.873 1.00 0.00 N ATOM 333 CA ARG A 161 34.943 -9.682 -17.023 1.00 0.00 C ATOM 334 C ARG A 161 35.660 -9.518 -15.682 1.00 0.00 C ATOM 335 O ARG A 161 36.888 -9.501 -15.635 1.00 0.00 O ATOM 336 CB ARG A 161 34.446 -8.320 -17.535 1.00 0.00 C ATOM 337 CG ARG A 161 35.637 -7.400 -17.838 1.00 0.00 C ATOM 338 CD ARG A 161 35.137 -5.985 -18.155 1.00 0.00 C ATOM 339 NE ARG A 161 34.914 -5.207 -16.924 1.00 0.00 N ATOM 340 CZ ARG A 161 34.514 -3.919 -16.933 1.00 0.00 C ATOM 341 NH1 ARG A 161 34.204 -3.322 -18.092 1.00 0.00 N ATOM 342 NH2 ARG A 161 34.426 -3.228 -15.786 1.00 0.00 N ATOM 0 H ARG A 161 32.925 -10.100 -16.669 1.00 0.00 H new ATOM 0 HA ARG A 161 35.649 -10.102 -17.740 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.846 -8.458 -18.435 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.800 -7.857 -16.789 1.00 0.00 H new ATOM 0 HG2 ARG A 161 36.313 -7.373 -16.984 1.00 0.00 H new ATOM 0 HG3 ARG A 161 36.205 -7.792 -18.682 1.00 0.00 H new ATOM 0 HD2 ARG A 161 35.864 -5.473 -18.785 1.00 0.00 H new ATOM 0 HD3 ARG A 161 34.209 -6.044 -18.723 1.00 0.00 H new ATOM 0 HE ARG A 161 35.069 -5.663 -16.025 1.00 0.00 H new ATOM 0 HH11 ARG A 161 34.271 -3.842 -18.967 1.00 0.00 H new ATOM 0 HH12 ARG A 161 33.901 -2.348 -18.099 1.00 0.00 H new ATOM 0 HH21 ARG A 161 34.662 -3.677 -14.901 1.00 0.00 H new ATOM 0 HH22 ARG A 161 34.123 -2.254 -15.799 1.00 0.00 H new ATOM 356 N LEU A 162 34.884 -9.378 -14.598 1.00 0.00 N ATOM 357 CA LEU A 162 35.430 -9.131 -13.270 1.00 0.00 C ATOM 358 C LEU A 162 35.282 -10.366 -12.382 1.00 0.00 C ATOM 359 O LEU A 162 36.275 -10.958 -11.965 1.00 0.00 O ATOM 360 CB LEU A 162 34.683 -7.946 -12.638 1.00 0.00 C ATOM 361 CG LEU A 162 34.676 -6.734 -13.581 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.566 -5.780 -13.146 1.00 0.00 C ATOM 363 CD2 LEU A 162 36.029 -6.019 -13.523 1.00 0.00 C ATOM 0 H LEU A 162 33.866 -9.434 -14.624 1.00 0.00 H new ATOM 0 HA LEU A 162 36.492 -8.902 -13.360 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.658 -8.238 -12.408 1.00 0.00 H new ATOM 0 HB3 LEU A 162 35.156 -7.674 -11.694 1.00 0.00 H new ATOM 0 HG LEU A 162 34.500 -7.064 -14.605 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.550 -4.914 -13.808 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.605 -6.293 -13.196 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.749 -5.451 -12.123 1.00 0.00 H new ATOM 0 HD21 LEU A 162 36.016 -5.161 -14.195 1.00 0.00 H new ATOM 0 HD22 LEU A 162 36.218 -5.680 -12.504 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.817 -6.707 -13.829 1.00 0.00 H new ATOM 375 N GLY A 163 34.032 -10.732 -12.087 1.00 0.00 N ATOM 376 CA GLY A 163 33.717 -11.847 -11.212 1.00 0.00 C ATOM 377 C GLY A 163 32.543 -11.452 -10.329 1.00 0.00 C ATOM 378 O GLY A 163 31.556 -10.916 -10.822 1.00 0.00 O ATOM 0 H GLY A 163 33.209 -10.255 -12.455 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.468 -12.731 -11.799 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.582 -12.104 -10.600 1.00 0.00 H new ATOM 382 N ASN A 164 32.652 -11.702 -9.020 1.00 0.00 N ATOM 383 CA ASN A 164 31.592 -11.356 -8.078 1.00 0.00 C ATOM 384 C ASN A 164 31.764 -9.909 -7.596 1.00 0.00 C ATOM 385 O ASN A 164 31.454 -9.600 -6.446 1.00 0.00 O ATOM 386 CB ASN A 164 31.623 -12.327 -6.891 1.00 0.00 C ATOM 387 CG ASN A 164 31.531 -13.776 -7.361 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.438 -14.296 -7.570 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.683 -14.430 -7.523 1.00 0.00 N ATOM 0 H ASN A 164 33.466 -12.143 -8.592 1.00 0.00 H new ATOM 0 HA ASN A 164 30.626 -11.438 -8.576 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.543 -12.183 -6.324 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.795 -12.107 -6.216 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.679 -15.402 -7.832 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.568 -13.958 -7.338 1.00 0.00 H new ATOM 396 N ARG A 165 32.255 -9.020 -8.476 1.00 0.00 N ATOM 397 CA ARG A 165 32.450 -7.617 -8.134 1.00 0.00 C ATOM 398 C ARG A 165 31.117 -6.883 -8.223 1.00 0.00 C ATOM 399 O ARG A 165 30.949 -6.022 -9.077 1.00 0.00 O ATOM 400 CB ARG A 165 33.447 -6.972 -9.109 1.00 0.00 C ATOM 401 CG ARG A 165 34.891 -7.315 -8.745 1.00 0.00 C ATOM 402 CD ARG A 165 35.794 -6.194 -9.272 1.00 0.00 C ATOM 403 NE ARG A 165 37.200 -6.601 -9.317 1.00 0.00 N ATOM 404 CZ ARG A 165 38.155 -5.853 -9.901 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.841 -4.679 -10.472 1.00 0.00 N ATOM 406 NH2 ARG A 165 39.424 -6.281 -9.912 1.00 0.00 N ATOM 0 H ARG A 165 32.522 -9.258 -9.431 1.00 0.00 H new ATOM 0 HA ARG A 165 32.843 -7.550 -7.120 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.236 -7.311 -10.123 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.316 -5.890 -9.101 1.00 0.00 H new ATOM 0 HG2 ARG A 165 34.998 -7.414 -7.665 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.177 -8.272 -9.183 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.468 -5.904 -10.271 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.691 -5.315 -8.636 1.00 0.00 H new ATOM 0 HE ARG A 165 37.467 -7.487 -8.888 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.875 -4.350 -10.465 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.568 -4.116 -10.913 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.665 -7.172 -9.478 1.00 0.00 H new ATOM 0 HH22 ARG A 165 40.149 -5.716 -10.354 1.00 0.00 H new ATOM 420 N TRP A 166 30.166 -7.213 -7.350 1.00 0.00 N ATOM 421 CA TRP A 166 28.862 -6.565 -7.376 1.00 0.00 C ATOM 422 C TRP A 166 29.019 -5.062 -7.156 1.00 0.00 C ATOM 423 O TRP A 166 28.239 -4.288 -7.673 1.00 0.00 O ATOM 424 CB TRP A 166 27.943 -7.179 -6.329 1.00 0.00 C ATOM 425 CG TRP A 166 28.033 -8.664 -6.227 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.426 -9.324 -5.141 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.748 -9.690 -7.227 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.425 -10.680 -5.355 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.010 -10.970 -6.641 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.299 -9.683 -8.569 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.839 -12.166 -7.342 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.125 -10.890 -9.281 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.396 -12.127 -8.667 1.00 0.00 C ATOM 0 H TRP A 166 30.275 -7.920 -6.623 1.00 0.00 H new ATOM 0 HA TRP A 166 28.408 -6.722 -8.354 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.178 -6.745 -5.357 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.914 -6.904 -6.560 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.709 -8.854 -4.211 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.693 -11.377 -4.661 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.087 -8.742 -9.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.047 -13.112 -6.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.781 -10.864 -10.305 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.262 -13.045 -9.219 1.00 0.00 H new ATOM 444 N ALA A 167 30.037 -4.646 -6.399 1.00 0.00 N ATOM 445 CA ALA A 167 30.277 -3.229 -6.159 1.00 0.00 C ATOM 446 C ALA A 167 30.531 -2.503 -7.488 1.00 0.00 C ATOM 447 O ALA A 167 30.232 -1.317 -7.612 1.00 0.00 O ATOM 448 CB ALA A 167 31.475 -3.074 -5.223 1.00 0.00 C ATOM 0 H ALA A 167 30.704 -5.271 -5.945 1.00 0.00 H new ATOM 0 HA ALA A 167 29.399 -2.783 -5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.659 -2.015 -5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.265 -3.575 -4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.356 -3.521 -5.683 1.00 0.00 H new ATOM 454 N GLU A 168 31.085 -3.223 -8.478 1.00 0.00 N ATOM 455 CA GLU A 168 31.392 -2.655 -9.784 1.00 0.00 C ATOM 456 C GLU A 168 30.233 -2.913 -10.757 1.00 0.00 C ATOM 457 O GLU A 168 29.850 -2.026 -11.516 1.00 0.00 O ATOM 458 CB GLU A 168 32.695 -3.283 -10.296 1.00 0.00 C ATOM 459 CG GLU A 168 33.331 -2.385 -11.364 1.00 0.00 C ATOM 460 CD GLU A 168 34.667 -2.956 -11.838 1.00 0.00 C ATOM 461 OE1 GLU A 168 35.454 -3.381 -10.958 1.00 0.00 O ATOM 462 OE2 GLU A 168 34.878 -2.961 -13.072 1.00 0.00 O ATOM 0 H GLU A 168 31.328 -4.209 -8.388 1.00 0.00 H new ATOM 0 HA GLU A 168 31.522 -1.576 -9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.390 -3.424 -9.468 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.493 -4.269 -10.713 1.00 0.00 H new ATOM 0 HG2 GLU A 168 32.653 -2.286 -12.212 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.483 -1.384 -10.959 1.00 0.00 H new ATOM 469 N ILE A 169 29.677 -4.132 -10.728 1.00 0.00 N ATOM 470 CA ILE A 169 28.572 -4.513 -11.603 1.00 0.00 C ATOM 471 C ILE A 169 27.330 -3.694 -11.248 1.00 0.00 C ATOM 472 O ILE A 169 26.727 -3.064 -12.114 1.00 0.00 O ATOM 473 CB ILE A 169 28.280 -6.018 -11.437 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.532 -6.852 -11.769 1.00 0.00 C ATOM 475 CG2 ILE A 169 27.135 -6.425 -12.370 1.00 0.00 C ATOM 476 CD1 ILE A 169 29.469 -8.196 -11.035 1.00 0.00 C ATOM 0 H ILE A 169 29.982 -4.875 -10.099 1.00 0.00 H new ATOM 0 HA ILE A 169 28.842 -4.315 -12.640 1.00 0.00 H new ATOM 0 HB ILE A 169 27.997 -6.206 -10.401 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.596 -7.017 -12.845 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.430 -6.309 -11.476 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.930 -7.489 -12.252 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.241 -5.853 -12.120 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.418 -6.223 -13.403 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.356 -8.782 -11.273 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.427 -8.022 -9.960 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.579 -8.741 -11.350 1.00 0.00 H new ATOM 488 N ALA A 170 26.955 -3.714 -9.963 1.00 0.00 N ATOM 489 CA ALA A 170 25.790 -2.997 -9.464 1.00 0.00 C ATOM 490 C ALA A 170 25.894 -1.504 -9.789 1.00 0.00 C ATOM 491 O ALA A 170 24.876 -0.843 -9.964 1.00 0.00 O ATOM 492 CB ALA A 170 25.666 -3.224 -7.948 1.00 0.00 C ATOM 0 H ALA A 170 27.458 -4.232 -9.242 1.00 0.00 H new ATOM 0 HA ALA A 170 24.894 -3.378 -9.954 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.795 -2.689 -7.570 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.552 -4.289 -7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.563 -2.855 -7.450 1.00 0.00 H new ATOM 498 N LYS A 171 27.123 -0.974 -9.881 1.00 0.00 N ATOM 499 CA LYS A 171 27.334 0.432 -10.213 1.00 0.00 C ATOM 500 C LYS A 171 26.721 0.747 -11.584 1.00 0.00 C ATOM 501 O LYS A 171 26.231 1.853 -11.803 1.00 0.00 O ATOM 502 CB LYS A 171 28.839 0.744 -10.212 1.00 0.00 C ATOM 503 CG LYS A 171 29.147 1.837 -9.182 1.00 0.00 C ATOM 504 CD LYS A 171 30.542 2.424 -9.440 1.00 0.00 C ATOM 505 CE LYS A 171 31.600 1.315 -9.396 1.00 0.00 C ATOM 506 NZ LYS A 171 32.961 1.876 -9.457 1.00 0.00 N ATOM 0 H LYS A 171 27.982 -1.503 -9.729 1.00 0.00 H new ATOM 0 HA LYS A 171 26.845 1.056 -9.465 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.406 -0.157 -9.978 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.152 1.069 -11.204 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.396 2.625 -9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.098 1.423 -8.175 1.00 0.00 H new ATOM 0 HD2 LYS A 171 30.563 2.918 -10.411 1.00 0.00 H new ATOM 0 HD3 LYS A 171 30.769 3.183 -8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 171 31.484 0.734 -8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 171 31.448 0.630 -10.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 33.657 1.104 -9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 33.077 2.410 -10.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 33.112 2.511 -8.647 1.00 0.00 H new ATOM 520 N LEU A 172 26.752 -0.230 -12.503 1.00 0.00 N ATOM 521 CA LEU A 172 26.203 -0.055 -13.844 1.00 0.00 C ATOM 522 C LEU A 172 24.671 -0.077 -13.797 1.00 0.00 C ATOM 523 O LEU A 172 24.021 0.359 -14.746 1.00 0.00 O ATOM 524 CB LEU A 172 26.718 -1.170 -14.768 1.00 0.00 C ATOM 525 CG LEU A 172 28.256 -1.235 -14.747 1.00 0.00 C ATOM 526 CD1 LEU A 172 28.721 -2.410 -15.609 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.848 0.066 -15.300 1.00 0.00 C ATOM 0 H LEU A 172 27.155 -1.152 -12.334 1.00 0.00 H new ATOM 0 HA LEU A 172 26.526 0.910 -14.235 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.305 -2.128 -14.453 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.371 -0.993 -15.786 1.00 0.00 H new ATOM 0 HG LEU A 172 28.594 -1.370 -13.720 1.00 0.00 H new ATOM 0 HD11 LEU A 172 29.810 -2.461 -15.598 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.310 -3.338 -15.211 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.375 -2.269 -16.633 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.936 0.008 -15.280 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.511 0.212 -16.326 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.518 0.905 -14.687 1.00 0.00 H new ATOM 539 N LEU A 173 24.099 -0.588 -12.693 1.00 0.00 N ATOM 540 CA LEU A 173 22.654 -0.675 -12.522 1.00 0.00 C ATOM 541 C LEU A 173 22.250 0.040 -11.226 1.00 0.00 C ATOM 542 O LEU A 173 22.012 -0.614 -10.212 1.00 0.00 O ATOM 543 CB LEU A 173 22.242 -2.156 -12.470 1.00 0.00 C ATOM 544 CG LEU A 173 22.555 -2.858 -13.803 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.427 -4.372 -13.618 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.573 -2.398 -14.887 1.00 0.00 C ATOM 0 H LEU A 173 24.631 -0.949 -11.901 1.00 0.00 H new ATOM 0 HA LEU A 173 22.148 -0.194 -13.359 1.00 0.00 H new ATOM 0 HB2 LEU A 173 22.769 -2.656 -11.658 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.176 -2.234 -12.254 1.00 0.00 H new ATOM 0 HG LEU A 173 23.570 -2.603 -14.109 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.648 -4.874 -14.560 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.130 -4.706 -12.855 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.411 -4.616 -13.307 1.00 0.00 H new ATOM 0 HD21 LEU A 173 21.805 -2.902 -15.825 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.555 -2.645 -14.584 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.660 -1.320 -15.023 1.00 0.00 H new ATOM 558 N PRO A 174 22.169 1.390 -11.250 1.00 0.00 N ATOM 559 CA PRO A 174 21.813 2.176 -10.081 1.00 0.00 C ATOM 560 C PRO A 174 20.446 1.768 -9.522 1.00 0.00 C ATOM 561 O PRO A 174 20.210 1.889 -8.323 1.00 0.00 O ATOM 562 CB PRO A 174 21.810 3.637 -10.542 1.00 0.00 C ATOM 563 CG PRO A 174 22.216 3.643 -12.021 1.00 0.00 C ATOM 564 CD PRO A 174 22.432 2.187 -12.431 1.00 0.00 C ATOM 0 HA PRO A 174 22.524 2.016 -9.270 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.823 4.080 -10.412 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.506 4.230 -9.949 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.440 4.105 -12.632 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.126 4.224 -12.169 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.763 1.909 -13.245 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.450 2.030 -12.787 1.00 0.00 H new ATOM 572 N GLY A 175 19.546 1.285 -10.392 1.00 0.00 N ATOM 573 CA GLY A 175 18.212 0.868 -9.976 1.00 0.00 C ATOM 574 C GLY A 175 18.241 -0.504 -9.290 1.00 0.00 C ATOM 575 O GLY A 175 17.183 -1.059 -8.990 1.00 0.00 O ATOM 0 H GLY A 175 19.726 1.176 -11.390 1.00 0.00 H new ATOM 0 HA2 GLY A 175 17.794 1.608 -9.294 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.555 0.828 -10.845 1.00 0.00 H new ATOM 579 N ARG A 176 19.446 -1.050 -9.044 1.00 0.00 N ATOM 580 CA ARG A 176 19.612 -2.346 -8.392 1.00 0.00 C ATOM 581 C ARG A 176 20.618 -2.198 -7.248 1.00 0.00 C ATOM 582 O ARG A 176 21.134 -1.105 -7.017 1.00 0.00 O ATOM 583 CB ARG A 176 20.108 -3.381 -9.416 1.00 0.00 C ATOM 584 CG ARG A 176 19.219 -3.389 -10.673 1.00 0.00 C ATOM 585 CD ARG A 176 17.850 -4.000 -10.361 1.00 0.00 C ATOM 586 NE ARG A 176 17.022 -4.042 -11.578 1.00 0.00 N ATOM 587 CZ ARG A 176 15.912 -3.299 -11.768 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.558 -2.347 -10.888 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.154 -3.512 -12.852 1.00 0.00 N ATOM 0 H ARG A 176 20.326 -0.600 -9.294 1.00 0.00 H new ATOM 0 HA ARG A 176 18.658 -2.689 -7.990 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.137 -3.155 -9.696 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.111 -4.372 -8.963 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.093 -2.371 -11.043 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.705 -3.958 -11.465 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.975 -5.007 -9.963 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.349 -3.413 -9.591 1.00 0.00 H new ATOM 0 HE ARG A 176 17.306 -4.674 -12.326 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.132 -2.177 -10.062 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.716 -1.794 -11.046 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.418 -4.231 -13.525 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.313 -2.955 -13.004 1.00 0.00 H new ATOM 603 N THR A 177 20.895 -3.298 -6.529 1.00 0.00 N ATOM 604 CA THR A 177 21.834 -3.278 -5.410 1.00 0.00 C ATOM 605 C THR A 177 22.728 -4.517 -5.452 1.00 0.00 C ATOM 606 O THR A 177 22.384 -5.519 -6.084 1.00 0.00 O ATOM 607 CB THR A 177 21.062 -3.224 -4.083 1.00 0.00 C ATOM 608 OG1 THR A 177 20.236 -4.363 -3.968 1.00 0.00 O ATOM 609 CG2 THR A 177 20.198 -1.961 -4.027 1.00 0.00 C ATOM 0 H THR A 177 20.478 -4.211 -6.708 1.00 0.00 H new ATOM 0 HA THR A 177 22.463 -2.392 -5.489 1.00 0.00 H new ATOM 0 HB THR A 177 21.776 -3.205 -3.260 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.746 -4.327 -3.120 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.655 -1.933 -3.082 1.00 0.00 H new ATOM 0 HG22 THR A 177 20.835 -1.080 -4.105 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.487 -1.969 -4.853 1.00 0.00 H new ATOM 617 N ASP A 178 23.879 -4.438 -4.769 1.00 0.00 N ATOM 618 CA ASP A 178 24.836 -5.532 -4.700 1.00 0.00 C ATOM 619 C ASP A 178 24.147 -6.833 -4.302 1.00 0.00 C ATOM 620 O ASP A 178 24.220 -7.818 -5.027 1.00 0.00 O ATOM 621 CB ASP A 178 25.919 -5.187 -3.671 1.00 0.00 C ATOM 622 CG ASP A 178 26.797 -4.039 -4.146 1.00 0.00 C ATOM 623 OD1 ASP A 178 26.227 -2.959 -4.417 1.00 0.00 O ATOM 624 OD2 ASP A 178 28.021 -4.263 -4.226 1.00 0.00 O ATOM 0 H ASP A 178 24.166 -3.608 -4.250 1.00 0.00 H new ATOM 0 HA ASP A 178 25.284 -5.670 -5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 178 25.450 -4.920 -2.724 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.537 -6.065 -3.484 1.00 0.00 H new ATOM 629 N ASN A 179 23.492 -6.835 -3.135 1.00 0.00 N ATOM 630 CA ASN A 179 22.839 -8.027 -2.609 1.00 0.00 C ATOM 631 C ASN A 179 21.766 -8.543 -3.569 1.00 0.00 C ATOM 632 O ASN A 179 21.621 -9.754 -3.728 1.00 0.00 O ATOM 633 CB ASN A 179 22.234 -7.714 -1.238 1.00 0.00 C ATOM 634 CG ASN A 179 23.328 -7.601 -0.178 1.00 0.00 C ATOM 635 OD1 ASN A 179 24.111 -8.534 0.011 1.00 0.00 O ATOM 636 ND2 ASN A 179 23.384 -6.462 0.511 1.00 0.00 N ATOM 0 H ASN A 179 23.403 -6.014 -2.537 1.00 0.00 H new ATOM 0 HA ASN A 179 23.585 -8.815 -2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.671 -6.782 -1.288 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.529 -8.497 -0.958 1.00 0.00 H new ATOM 0 HD21 ASN A 179 24.097 -6.335 1.230 1.00 0.00 H new ATOM 0 HD22 ASN A 179 22.714 -5.717 0.320 1.00 0.00 H new ATOM 643 N ALA A 180 21.013 -7.639 -4.207 1.00 0.00 N ATOM 644 CA ALA A 180 19.964 -8.041 -5.135 1.00 0.00 C ATOM 645 C ALA A 180 20.568 -8.830 -6.295 1.00 0.00 C ATOM 646 O ALA A 180 20.108 -9.928 -6.602 1.00 0.00 O ATOM 647 CB ALA A 180 19.224 -6.805 -5.647 1.00 0.00 C ATOM 0 H ALA A 180 21.114 -6.630 -4.095 1.00 0.00 H new ATOM 0 HA ALA A 180 19.250 -8.683 -4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.441 -7.111 -6.340 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.777 -6.274 -4.806 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.926 -6.147 -6.160 1.00 0.00 H new ATOM 653 N ILE A 181 21.601 -8.269 -6.938 1.00 0.00 N ATOM 654 CA ILE A 181 22.256 -8.919 -8.067 1.00 0.00 C ATOM 655 C ILE A 181 22.962 -10.195 -7.602 1.00 0.00 C ATOM 656 O ILE A 181 22.950 -11.197 -8.306 1.00 0.00 O ATOM 657 CB ILE A 181 23.258 -7.951 -8.712 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.511 -6.751 -9.307 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.014 -8.675 -9.830 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.447 -5.547 -9.394 1.00 0.00 C ATOM 0 H ILE A 181 21.998 -7.363 -6.690 1.00 0.00 H new ATOM 0 HA ILE A 181 21.506 -9.193 -8.809 1.00 0.00 H new ATOM 0 HB ILE A 181 23.960 -7.603 -7.954 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.134 -7.002 -10.298 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.647 -6.507 -8.689 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.726 -7.990 -10.290 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.548 -9.529 -9.414 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.306 -9.022 -10.583 1.00 0.00 H new ATOM 0 HD11 ILE A 181 22.910 -4.698 -9.818 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.803 -5.290 -8.396 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.297 -5.792 -10.030 1.00 0.00 H new ATOM 672 N LYS A 182 23.576 -10.147 -6.417 1.00 0.00 N ATOM 673 CA LYS A 182 24.287 -11.285 -5.855 1.00 0.00 C ATOM 674 C LYS A 182 23.340 -12.480 -5.728 1.00 0.00 C ATOM 675 O LYS A 182 23.618 -13.555 -6.261 1.00 0.00 O ATOM 676 CB LYS A 182 24.849 -10.873 -4.488 1.00 0.00 C ATOM 677 CG LYS A 182 25.632 -12.026 -3.850 1.00 0.00 C ATOM 678 CD LYS A 182 26.126 -11.599 -2.461 1.00 0.00 C ATOM 679 CE LYS A 182 25.005 -11.780 -1.428 1.00 0.00 C ATOM 680 NZ LYS A 182 25.312 -11.065 -0.175 1.00 0.00 N ATOM 0 H LYS A 182 23.591 -9.316 -5.825 1.00 0.00 H new ATOM 0 HA LYS A 182 25.108 -11.584 -6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.500 -10.006 -4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.033 -10.574 -3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.998 -12.909 -3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.478 -12.299 -4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 182 26.994 -12.193 -2.176 1.00 0.00 H new ATOM 0 HD3 LYS A 182 26.446 -10.557 -2.484 1.00 0.00 H new ATOM 0 HE2 LYS A 182 24.065 -11.411 -1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 182 24.867 -12.841 -1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 25.055 -11.662 0.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 26.329 -10.850 -0.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 24.769 -10.179 -0.139 1.00 0.00 H new ATOM 694 N ASN A 183 22.222 -12.286 -5.022 1.00 0.00 N ATOM 695 CA ASN A 183 21.238 -13.339 -4.823 1.00 0.00 C ATOM 696 C ASN A 183 20.675 -13.788 -6.171 1.00 0.00 C ATOM 697 O ASN A 183 20.616 -14.983 -6.451 1.00 0.00 O ATOM 698 CB ASN A 183 20.120 -12.817 -3.917 1.00 0.00 C ATOM 699 CG ASN A 183 18.995 -13.839 -3.795 1.00 0.00 C ATOM 700 OD1 ASN A 183 19.061 -14.739 -2.963 1.00 0.00 O ATOM 701 ND2 ASN A 183 17.962 -13.699 -4.626 1.00 0.00 N ATOM 0 H ASN A 183 21.980 -11.400 -4.578 1.00 0.00 H new ATOM 0 HA ASN A 183 21.709 -14.199 -4.347 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.522 -12.593 -2.929 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.726 -11.884 -4.320 1.00 0.00 H new ATOM 0 HD21 ASN A 183 17.183 -14.356 -4.586 1.00 0.00 H new ATOM 0 HD22 ASN A 183 17.951 -12.935 -5.302 1.00 0.00 H new ATOM 708 N HIS A 184 20.262 -12.819 -6.997 1.00 0.00 N ATOM 709 CA HIS A 184 19.695 -13.092 -8.311 1.00 0.00 C ATOM 710 C HIS A 184 20.624 -13.996 -9.119 1.00 0.00 C ATOM 711 O HIS A 184 20.180 -15.007 -9.663 1.00 0.00 O ATOM 712 CB HIS A 184 19.467 -11.762 -9.029 1.00 0.00 C ATOM 713 CG HIS A 184 19.287 -11.907 -10.517 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.489 -12.889 -11.096 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.795 -11.198 -11.573 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.567 -12.710 -12.431 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.351 -11.693 -12.785 1.00 0.00 N ATOM 0 H HIS A 184 20.314 -11.826 -6.768 1.00 0.00 H new ATOM 0 HA HIS A 184 18.744 -13.614 -8.202 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.585 -11.278 -8.610 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.314 -11.104 -8.836 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.462 -10.354 -11.471 1.00 0.00 H new ATOM 0 HE1 HIS A 184 18.044 -13.331 -13.143 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.571 -11.360 -13.724 1.00 0.00 H new ATOM 725 N TRP A 185 21.908 -13.636 -9.199 1.00 0.00 N ATOM 726 CA TRP A 185 22.872 -14.424 -9.940 1.00 0.00 C ATOM 727 C TRP A 185 22.908 -15.836 -9.381 1.00 0.00 C ATOM 728 O TRP A 185 22.750 -16.795 -10.123 1.00 0.00 O ATOM 729 CB TRP A 185 24.261 -13.787 -9.863 1.00 0.00 C ATOM 730 CG TRP A 185 25.326 -14.573 -10.569 1.00 0.00 C ATOM 731 CD1 TRP A 185 26.029 -15.591 -10.044 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.809 -14.442 -11.939 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.908 -16.110 -10.963 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.817 -15.434 -12.163 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.499 -13.594 -13.021 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.475 -15.571 -13.388 1.00 0.00 C ATOM 737 CZ3 TRP A 185 26.157 -13.730 -14.260 1.00 0.00 C ATOM 738 CH2 TRP A 185 27.145 -14.714 -14.442 1.00 0.00 C ATOM 0 H TRP A 185 22.295 -12.802 -8.757 1.00 0.00 H new ATOM 0 HA TRP A 185 22.572 -14.459 -10.987 1.00 0.00 H new ATOM 0 HB2 TRP A 185 24.216 -12.786 -10.292 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.541 -13.672 -8.816 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.917 -15.953 -9.033 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.542 -16.889 -10.783 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.746 -12.829 -12.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 28.231 -16.331 -13.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.900 -13.072 -15.077 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.647 -14.807 -15.393 1.00 0.00 H new ATOM 749 N ASN A 186 23.116 -15.964 -8.067 1.00 0.00 N ATOM 750 CA ASN A 186 23.201 -17.268 -7.425 1.00 0.00 C ATOM 751 C ASN A 186 21.802 -17.860 -7.213 1.00 0.00 C ATOM 752 O ASN A 186 21.516 -18.403 -6.148 1.00 0.00 O ATOM 753 CB ASN A 186 23.943 -17.128 -6.089 1.00 0.00 C ATOM 754 CG ASN A 186 25.411 -16.776 -6.310 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.253 -17.665 -6.414 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.719 -15.481 -6.380 1.00 0.00 N ATOM 0 H ASN A 186 23.228 -15.175 -7.431 1.00 0.00 H new ATOM 0 HA ASN A 186 23.754 -17.951 -8.070 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.468 -16.355 -5.485 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.870 -18.060 -5.529 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.687 -15.194 -6.525 1.00 0.00 H new ATOM 0 HD22 ASN A 186 24.987 -14.777 -6.288 1.00 0.00 H new ATOM 763 N SER A 187 20.938 -17.763 -8.234 1.00 0.00 N ATOM 764 CA SER A 187 19.585 -18.298 -8.172 1.00 0.00 C ATOM 765 C SER A 187 19.081 -18.578 -9.586 1.00 0.00 C ATOM 766 O SER A 187 18.684 -19.700 -9.893 1.00 0.00 O ATOM 767 CB SER A 187 18.657 -17.300 -7.467 1.00 0.00 C ATOM 768 OG SER A 187 18.998 -17.205 -6.102 1.00 0.00 O ATOM 0 H SER A 187 21.164 -17.311 -9.120 1.00 0.00 H new ATOM 0 HA SER A 187 19.591 -19.228 -7.604 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.737 -16.321 -7.939 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.620 -17.620 -7.570 1.00 0.00 H new ATOM 0 HG SER A 187 19.616 -16.456 -5.970 1.00 0.00 H new ATOM 774 N THR A 188 19.091 -17.546 -10.440 1.00 0.00 N ATOM 775 CA THR A 188 18.586 -17.655 -11.800 1.00 0.00 C ATOM 776 C THR A 188 19.671 -18.154 -12.758 1.00 0.00 C ATOM 777 O THR A 188 19.440 -19.103 -13.505 1.00 0.00 O ATOM 778 CB THR A 188 18.066 -16.282 -12.249 1.00 0.00 C ATOM 779 OG1 THR A 188 17.183 -15.767 -11.273 1.00 0.00 O ATOM 780 CG2 THR A 188 17.323 -16.418 -13.582 1.00 0.00 C ATOM 0 H THR A 188 19.449 -16.621 -10.202 1.00 0.00 H new ATOM 0 HA THR A 188 17.775 -18.383 -11.819 1.00 0.00 H new ATOM 0 HB THR A 188 18.911 -15.604 -12.373 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.428 -14.841 -11.066 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.956 -15.441 -13.896 1.00 0.00 H new ATOM 0 HG22 THR A 188 18.002 -16.811 -14.339 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.481 -17.100 -13.461 1.00 0.00 H new ATOM 788 N MET A 189 20.844 -17.504 -12.754 1.00 0.00 N ATOM 789 CA MET A 189 21.917 -17.842 -13.685 1.00 0.00 C ATOM 790 C MET A 189 22.838 -18.902 -13.089 1.00 0.00 C ATOM 791 O MET A 189 22.935 -20.008 -13.619 1.00 0.00 O ATOM 792 CB MET A 189 22.703 -16.572 -14.030 1.00 0.00 C ATOM 793 CG MET A 189 21.909 -15.731 -15.036 1.00 0.00 C ATOM 794 SD MET A 189 22.743 -14.204 -15.538 1.00 0.00 S ATOM 795 CE MET A 189 22.331 -13.173 -14.111 1.00 0.00 C ATOM 0 H MET A 189 21.068 -16.742 -12.114 1.00 0.00 H new ATOM 0 HA MET A 189 21.484 -18.256 -14.596 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.892 -15.993 -13.126 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.674 -16.836 -14.448 1.00 0.00 H new ATOM 0 HG2 MET A 189 21.712 -16.334 -15.923 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.942 -15.479 -14.600 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.892 -12.240 -14.162 1.00 0.00 H new ATOM 0 HE2 MET A 189 21.263 -12.955 -14.116 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.589 -13.702 -13.193 1.00 0.00 H new ATOM 805 N ARG A 190 23.521 -18.556 -11.993 1.00 0.00 N ATOM 806 CA ARG A 190 24.461 -19.453 -11.339 1.00 0.00 C ATOM 807 C ARG A 190 25.667 -19.661 -12.264 1.00 0.00 C ATOM 808 O ARG A 190 25.924 -18.829 -13.132 1.00 0.00 O ATOM 809 CB ARG A 190 23.758 -20.785 -11.010 1.00 0.00 C ATOM 810 CG ARG A 190 24.317 -21.380 -9.708 1.00 0.00 C ATOM 811 CD ARG A 190 23.333 -21.132 -8.560 1.00 0.00 C ATOM 812 NE ARG A 190 22.096 -21.903 -8.752 1.00 0.00 N ATOM 813 CZ ARG A 190 21.090 -21.916 -7.859 1.00 0.00 C ATOM 814 NH1 ARG A 190 21.177 -21.199 -6.731 1.00 0.00 N ATOM 815 NH2 ARG A 190 19.996 -22.649 -8.100 1.00 0.00 N ATOM 0 H ARG A 190 23.433 -17.646 -11.540 1.00 0.00 H new ATOM 0 HA ARG A 190 24.814 -19.025 -10.401 1.00 0.00 H new ATOM 0 HB2 ARG A 190 22.685 -20.622 -10.911 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.899 -21.490 -11.829 1.00 0.00 H new ATOM 0 HG2 ARG A 190 24.486 -22.450 -9.829 1.00 0.00 H new ATOM 0 HG3 ARG A 190 25.282 -20.929 -9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 190 23.796 -21.410 -7.613 1.00 0.00 H new ATOM 0 HD3 ARG A 190 23.098 -20.069 -8.501 1.00 0.00 H new ATOM 0 HE ARG A 190 21.996 -22.455 -9.604 1.00 0.00 H new ATOM 0 HH11 ARG A 190 22.009 -20.639 -6.545 1.00 0.00 H new ATOM 0 HH12 ARG A 190 20.411 -21.213 -6.058 1.00 0.00 H new ATOM 0 HH21 ARG A 190 19.927 -23.195 -8.959 1.00 0.00 H new ATOM 0 HH22 ARG A 190 19.231 -22.661 -7.425 1.00 0.00 H new