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 184 HIS : no HD1:sc= -0.209 X(o=-0.19,f=-0.35) USER MOD Set 1.2: A 188 THR OG1 : rot 135:sc= 0.0207 USER MOD Set 2.1: A 179 ASN : amide:sc= 0.692 K(o=0.65,f=-7.2!) USER MOD Set 2.2: A 182 LYS NZ :NH3+ 164:sc= -0.0387 (180deg=-0.154) USER MOD Set 3.1: A 159 HIS : no HD1:sc= 0.133 K(o=0.55,f=-3.9!) USER MOD Set 3.2: A 164 ASN :FLIP amide:sc= 0.416 F(o=-0.21,f=0.55) USER MOD Set 4.1: A 156 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 160 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0231) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 157 GLN : amide:sc= 1.17 K(o=1.2,f=-7!) USER MOD Single : A 171 LYS NZ :NH3+ 166:sc= -0.0324 (180deg=-0.345) USER MOD Single : A 177 THR OG1 : rot 180:sc= -0.0285 USER MOD Single : A 183 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 ASN : amide:sc= 1.25 K(o=1.2,f=-7.9!) USER MOD Single : A 187 SER OG : rot 24:sc= 1.21 USER MOD Single : A 189 MET CE :methyl 164:sc= -0.777 (180deg=-1.2) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.039 -9.009 -12.645 1.00 0.00 N ATOM 89 CA TRP A 147 14.198 -9.004 -13.540 1.00 0.00 C ATOM 90 C TRP A 147 13.754 -9.167 -15.002 1.00 0.00 C ATOM 91 O TRP A 147 12.573 -9.373 -15.283 1.00 0.00 O ATOM 92 CB TRP A 147 15.195 -10.101 -13.123 1.00 0.00 C ATOM 93 CG TRP A 147 16.065 -9.731 -11.963 1.00 0.00 C ATOM 94 CD1 TRP A 147 15.957 -10.204 -10.710 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.190 -8.806 -11.930 1.00 0.00 C ATOM 96 NE1 TRP A 147 16.921 -9.657 -9.894 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.719 -8.779 -10.602 1.00 0.00 C ATOM 98 CE3 TRP A 147 17.822 -7.984 -12.886 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.814 -7.985 -10.248 1.00 0.00 C ATOM 100 CZ3 TRP A 147 18.926 -7.181 -12.533 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.421 -7.184 -11.222 1.00 0.00 C ATOM 0 HA TRP A 147 14.705 -8.042 -13.459 1.00 0.00 H new ATOM 0 HB2 TRP A 147 14.640 -11.005 -12.872 1.00 0.00 H new ATOM 0 HB3 TRP A 147 15.829 -10.343 -13.976 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.214 -10.918 -10.387 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.031 -9.870 -8.903 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.456 -7.969 -13.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.187 -7.990 -9.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.395 -6.558 -13.280 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.270 -6.569 -10.963 1.00 0.00 H new ATOM 112 N THR A 148 14.712 -9.059 -15.935 1.00 0.00 N ATOM 113 CA THR A 148 14.433 -9.182 -17.362 1.00 0.00 C ATOM 114 C THR A 148 15.605 -9.873 -18.050 1.00 0.00 C ATOM 115 O THR A 148 16.732 -9.815 -17.564 1.00 0.00 O ATOM 116 CB THR A 148 14.207 -7.792 -17.982 1.00 0.00 C ATOM 117 OG1 THR A 148 15.379 -7.017 -17.850 1.00 0.00 O ATOM 118 CG2 THR A 148 13.043 -7.077 -17.290 1.00 0.00 C ATOM 0 H THR A 148 15.693 -8.885 -15.717 1.00 0.00 H new ATOM 0 HA THR A 148 13.529 -9.776 -17.499 1.00 0.00 H new ATOM 0 HB THR A 148 13.965 -7.917 -19.037 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.233 -6.133 -18.247 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.898 -6.096 -17.742 1.00 0.00 H new ATOM 0 HG22 THR A 148 12.134 -7.667 -17.405 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.267 -6.959 -16.230 1.00 0.00 H new ATOM 126 N GLU A 149 15.334 -10.519 -19.189 1.00 0.00 N ATOM 127 CA GLU A 149 16.365 -11.203 -19.954 1.00 0.00 C ATOM 128 C GLU A 149 17.487 -10.223 -20.301 1.00 0.00 C ATOM 129 O GLU A 149 18.661 -10.579 -20.249 1.00 0.00 O ATOM 130 CB GLU A 149 15.749 -11.789 -21.229 1.00 0.00 C ATOM 131 CG GLU A 149 14.714 -12.859 -20.866 1.00 0.00 C ATOM 132 CD GLU A 149 14.115 -13.477 -22.122 1.00 0.00 C ATOM 133 OE1 GLU A 149 14.820 -14.304 -22.739 1.00 0.00 O ATOM 134 OE2 GLU A 149 12.964 -13.110 -22.441 1.00 0.00 O ATOM 0 H GLU A 149 14.401 -10.579 -19.598 1.00 0.00 H new ATOM 0 HA GLU A 149 16.785 -12.015 -19.360 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.277 -10.998 -21.812 1.00 0.00 H new ATOM 0 HB3 GLU A 149 16.530 -12.223 -21.854 1.00 0.00 H new ATOM 0 HG2 GLU A 149 15.183 -13.635 -20.261 1.00 0.00 H new ATOM 0 HG3 GLU A 149 13.923 -12.416 -20.260 1.00 0.00 H new ATOM 141 N GLU A 150 17.114 -8.984 -20.654 1.00 0.00 N ATOM 142 CA GLU A 150 18.078 -7.954 -21.005 1.00 0.00 C ATOM 143 C GLU A 150 19.015 -7.692 -19.824 1.00 0.00 C ATOM 144 O GLU A 150 20.233 -7.775 -19.973 1.00 0.00 O ATOM 145 CB GLU A 150 17.327 -6.681 -21.411 1.00 0.00 C ATOM 146 CG GLU A 150 18.316 -5.641 -21.946 1.00 0.00 C ATOM 147 CD GLU A 150 17.578 -4.460 -22.567 1.00 0.00 C ATOM 148 OE1 GLU A 150 16.694 -3.914 -21.872 1.00 0.00 O ATOM 149 OE2 GLU A 150 17.912 -4.127 -23.724 1.00 0.00 O ATOM 0 H GLU A 150 16.142 -8.679 -20.701 1.00 0.00 H new ATOM 0 HA GLU A 150 18.686 -8.284 -21.847 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.583 -6.914 -22.173 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.789 -6.277 -20.554 1.00 0.00 H new ATOM 0 HG2 GLU A 150 18.956 -5.291 -21.136 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.967 -6.101 -22.690 1.00 0.00 H new ATOM 156 N GLU A 151 18.444 -7.382 -18.650 1.00 0.00 N ATOM 157 CA GLU A 151 19.229 -7.118 -17.448 1.00 0.00 C ATOM 158 C GLU A 151 20.177 -8.284 -17.176 1.00 0.00 C ATOM 159 O GLU A 151 21.376 -8.079 -16.981 1.00 0.00 O ATOM 160 CB GLU A 151 18.289 -6.917 -16.260 1.00 0.00 C ATOM 161 CG GLU A 151 17.711 -5.499 -16.272 1.00 0.00 C ATOM 162 CD GLU A 151 18.636 -4.534 -15.541 1.00 0.00 C ATOM 163 OE1 GLU A 151 18.476 -4.424 -14.304 1.00 0.00 O ATOM 164 OE2 GLU A 151 19.484 -3.926 -16.226 1.00 0.00 O ATOM 0 H GLU A 151 17.436 -7.309 -18.514 1.00 0.00 H new ATOM 0 HA GLU A 151 19.821 -6.214 -17.595 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.480 -7.647 -16.300 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.828 -7.089 -15.328 1.00 0.00 H new ATOM 0 HG2 GLU A 151 17.570 -5.167 -17.301 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.729 -5.497 -15.799 1.00 0.00 H new ATOM 171 N ASP A 152 19.637 -9.509 -17.164 1.00 0.00 N ATOM 172 CA ASP A 152 20.436 -10.704 -16.933 1.00 0.00 C ATOM 173 C ASP A 152 21.604 -10.743 -17.920 1.00 0.00 C ATOM 174 O ASP A 152 22.709 -11.132 -17.554 1.00 0.00 O ATOM 175 CB ASP A 152 19.554 -11.951 -17.085 1.00 0.00 C ATOM 176 CG ASP A 152 18.666 -12.162 -15.858 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.076 -11.159 -15.398 1.00 0.00 O ATOM 178 OD2 ASP A 152 18.592 -13.326 -15.406 1.00 0.00 O ATOM 0 H ASP A 152 18.645 -9.692 -17.313 1.00 0.00 H new ATOM 0 HA ASP A 152 20.839 -10.685 -15.921 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.931 -11.851 -17.974 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.184 -12.828 -17.235 1.00 0.00 H new ATOM 183 N ARG A 153 21.356 -10.331 -19.173 1.00 0.00 N ATOM 184 CA ARG A 153 22.386 -10.307 -20.206 1.00 0.00 C ATOM 185 C ARG A 153 23.520 -9.354 -19.800 1.00 0.00 C ATOM 186 O ARG A 153 24.695 -9.685 -19.963 1.00 0.00 O ATOM 187 CB ARG A 153 21.757 -9.869 -21.542 1.00 0.00 C ATOM 188 CG ARG A 153 22.188 -10.812 -22.677 1.00 0.00 C ATOM 189 CD ARG A 153 23.686 -10.667 -22.966 1.00 0.00 C ATOM 190 NE ARG A 153 24.027 -9.283 -23.322 1.00 0.00 N ATOM 191 CZ ARG A 153 25.277 -8.889 -23.615 1.00 0.00 C ATOM 192 NH1 ARG A 153 26.264 -9.788 -23.705 1.00 0.00 N ATOM 193 NH2 ARG A 153 25.539 -7.594 -23.818 1.00 0.00 N ATOM 0 H ARG A 153 20.442 -10.009 -19.490 1.00 0.00 H new ATOM 0 HA ARG A 153 22.808 -11.305 -20.324 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.670 -9.868 -21.456 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.059 -8.848 -21.775 1.00 0.00 H new ATOM 0 HG2 ARG A 153 21.964 -11.843 -22.404 1.00 0.00 H new ATOM 0 HG3 ARG A 153 21.616 -10.589 -23.578 1.00 0.00 H new ATOM 0 HD2 ARG A 153 24.259 -10.972 -22.090 1.00 0.00 H new ATOM 0 HD3 ARG A 153 23.968 -11.335 -23.780 1.00 0.00 H new ATOM 0 HE ARG A 153 23.280 -8.589 -23.348 1.00 0.00 H new ATOM 0 HH11 ARG A 153 26.068 -10.777 -23.551 1.00 0.00 H new ATOM 0 HH12 ARG A 153 27.212 -9.484 -23.928 1.00 0.00 H new ATOM 0 HH21 ARG A 153 24.790 -6.905 -23.750 1.00 0.00 H new ATOM 0 HH22 ARG A 153 26.488 -7.295 -24.041 1.00 0.00 H new ATOM 207 N ILE A 154 23.170 -8.171 -19.273 1.00 0.00 N ATOM 208 CA ILE A 154 24.168 -7.191 -18.852 1.00 0.00 C ATOM 209 C ILE A 154 25.050 -7.793 -17.759 1.00 0.00 C ATOM 210 O ILE A 154 26.276 -7.739 -17.853 1.00 0.00 O ATOM 211 CB ILE A 154 23.479 -5.909 -18.340 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.563 -5.303 -19.424 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.545 -4.883 -17.931 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.292 -5.190 -20.769 1.00 0.00 C ATOM 0 H ILE A 154 22.204 -7.875 -19.131 1.00 0.00 H new ATOM 0 HA ILE A 154 24.791 -6.927 -19.707 1.00 0.00 H new ATOM 0 HB ILE A 154 22.864 -6.167 -17.478 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.674 -5.923 -19.540 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.224 -4.317 -19.107 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.058 -3.977 -17.569 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.168 -5.301 -17.140 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.167 -4.641 -18.793 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.620 -4.760 -21.512 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.167 -4.549 -20.656 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.608 -6.181 -21.096 1.00 0.00 H new ATOM 226 N ILE A 155 24.425 -8.365 -16.722 1.00 0.00 N ATOM 227 CA ILE A 155 25.161 -8.959 -15.613 1.00 0.00 C ATOM 228 C ILE A 155 26.018 -10.117 -16.129 1.00 0.00 C ATOM 229 O ILE A 155 27.156 -10.268 -15.714 1.00 0.00 O ATOM 230 CB ILE A 155 24.180 -9.436 -14.523 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.333 -8.250 -14.028 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.970 -10.023 -13.337 1.00 0.00 C ATOM 233 CD1 ILE A 155 22.091 -8.762 -13.299 1.00 0.00 C ATOM 0 H ILE A 155 23.411 -8.426 -16.633 1.00 0.00 H new ATOM 0 HA ILE A 155 25.820 -8.212 -15.169 1.00 0.00 H new ATOM 0 HB ILE A 155 23.526 -10.200 -14.943 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.925 -7.624 -13.360 1.00 0.00 H new ATOM 0 HG13 ILE A 155 23.038 -7.626 -14.872 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.275 -10.360 -12.568 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.568 -10.867 -13.680 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.627 -9.258 -12.923 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.498 -7.916 -12.952 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.494 -9.369 -13.980 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.394 -9.367 -12.444 1.00 0.00 H new ATOM 245 N TYR A 156 25.464 -10.928 -17.039 1.00 0.00 N ATOM 246 CA TYR A 156 26.177 -12.067 -17.607 1.00 0.00 C ATOM 247 C TYR A 156 27.475 -11.607 -18.268 1.00 0.00 C ATOM 248 O TYR A 156 28.528 -12.207 -18.053 1.00 0.00 O ATOM 249 CB TYR A 156 25.265 -12.774 -18.615 1.00 0.00 C ATOM 250 CG TYR A 156 25.843 -14.062 -19.157 1.00 0.00 C ATOM 251 CD1 TYR A 156 25.987 -15.178 -18.313 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.229 -14.150 -20.508 1.00 0.00 C ATOM 253 CE1 TYR A 156 26.516 -16.377 -18.816 1.00 0.00 C ATOM 254 CE2 TYR A 156 26.757 -15.350 -21.010 1.00 0.00 C ATOM 255 CZ TYR A 156 26.901 -16.463 -20.165 1.00 0.00 C ATOM 256 OH TYR A 156 27.425 -17.622 -20.651 1.00 0.00 O ATOM 0 H TYR A 156 24.516 -10.810 -17.397 1.00 0.00 H new ATOM 0 HA TYR A 156 26.441 -12.768 -16.815 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.308 -12.987 -18.139 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.064 -12.098 -19.446 1.00 0.00 H new ATOM 0 HD1 TYR A 156 25.690 -15.112 -17.277 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.119 -13.295 -21.158 1.00 0.00 H new ATOM 0 HE1 TYR A 156 26.627 -17.233 -18.167 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.053 -15.418 -22.047 1.00 0.00 H new ATOM 0 HH TYR A 156 27.637 -17.512 -21.601 1.00 0.00 H new ATOM 266 N GLN A 157 27.401 -10.543 -19.072 1.00 0.00 N ATOM 267 CA GLN A 157 28.567 -10.017 -19.762 1.00 0.00 C ATOM 268 C GLN A 157 29.555 -9.424 -18.756 1.00 0.00 C ATOM 269 O GLN A 157 30.735 -9.769 -18.767 1.00 0.00 O ATOM 270 CB GLN A 157 28.115 -8.955 -20.769 1.00 0.00 C ATOM 271 CG GLN A 157 29.275 -8.598 -21.702 1.00 0.00 C ATOM 272 CD GLN A 157 28.848 -7.545 -22.717 1.00 0.00 C ATOM 273 OE1 GLN A 157 28.329 -7.879 -23.781 1.00 0.00 O ATOM 274 NE2 GLN A 157 29.064 -6.272 -22.389 1.00 0.00 N ATOM 0 H GLN A 157 26.538 -10.031 -19.257 1.00 0.00 H new ATOM 0 HA GLN A 157 29.073 -10.823 -20.294 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.271 -9.327 -21.349 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.772 -8.064 -20.243 1.00 0.00 H new ATOM 0 HG2 GLN A 157 30.117 -8.226 -21.118 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.618 -9.493 -22.222 1.00 0.00 H new ATOM 0 HE21 GLN A 157 29.498 -6.042 -21.495 1.00 0.00 H new ATOM 0 HE22 GLN A 157 28.796 -5.527 -23.032 1.00 0.00 H new ATOM 283 N ALA A 158 29.069 -8.525 -17.893 1.00 0.00 N ATOM 284 CA ALA A 158 29.907 -7.858 -16.905 1.00 0.00 C ATOM 285 C ALA A 158 30.598 -8.876 -15.996 1.00 0.00 C ATOM 286 O ALA A 158 31.754 -8.692 -15.631 1.00 0.00 O ATOM 287 CB ALA A 158 29.043 -6.903 -16.080 1.00 0.00 C ATOM 0 H ALA A 158 28.089 -8.244 -17.864 1.00 0.00 H new ATOM 0 HA ALA A 158 30.685 -7.294 -17.420 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.663 -6.400 -15.338 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.591 -6.161 -16.738 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.258 -7.466 -15.575 1.00 0.00 H new ATOM 293 N HIS A 159 29.887 -9.945 -15.629 1.00 0.00 N ATOM 294 CA HIS A 159 30.421 -10.969 -14.746 1.00 0.00 C ATOM 295 C HIS A 159 31.646 -11.637 -15.371 1.00 0.00 C ATOM 296 O HIS A 159 32.607 -11.934 -14.674 1.00 0.00 O ATOM 297 CB HIS A 159 29.330 -12.002 -14.450 1.00 0.00 C ATOM 298 CG HIS A 159 29.782 -13.062 -13.484 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.644 -14.089 -13.843 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.506 -13.280 -12.160 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.830 -14.842 -12.743 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.161 -14.403 -11.679 1.00 0.00 N ATOM 0 H HIS A 159 28.930 -10.119 -15.937 1.00 0.00 H new ATOM 0 HA HIS A 159 30.737 -10.506 -13.811 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.455 -11.494 -14.043 1.00 0.00 H new ATOM 0 HB3 HIS A 159 29.020 -12.474 -15.382 1.00 0.00 H new ATOM 0 HD2 HIS A 159 28.858 -12.654 -11.564 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.461 -15.718 -12.725 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.136 -14.797 -10.739 1.00 0.00 H new ATOM 310 N LYS A 160 31.617 -11.882 -16.683 1.00 0.00 N ATOM 311 CA LYS A 160 32.734 -12.530 -17.359 1.00 0.00 C ATOM 312 C LYS A 160 33.966 -11.618 -17.373 1.00 0.00 C ATOM 313 O LYS A 160 35.086 -12.106 -17.501 1.00 0.00 O ATOM 314 CB LYS A 160 32.326 -12.906 -18.786 1.00 0.00 C ATOM 315 CG LYS A 160 31.396 -14.122 -18.754 1.00 0.00 C ATOM 316 CD LYS A 160 31.011 -14.509 -20.185 1.00 0.00 C ATOM 317 CE LYS A 160 30.048 -15.700 -20.162 1.00 0.00 C ATOM 318 NZ LYS A 160 30.744 -16.951 -19.808 1.00 0.00 N ATOM 0 H LYS A 160 30.835 -11.642 -17.292 1.00 0.00 H new ATOM 0 HA LYS A 160 32.996 -13.437 -16.814 1.00 0.00 H new ATOM 0 HB2 LYS A 160 31.824 -12.065 -19.265 1.00 0.00 H new ATOM 0 HB3 LYS A 160 33.212 -13.129 -19.381 1.00 0.00 H new ATOM 0 HG2 LYS A 160 31.891 -14.959 -18.260 1.00 0.00 H new ATOM 0 HG3 LYS A 160 30.501 -13.894 -18.175 1.00 0.00 H new ATOM 0 HD2 LYS A 160 30.543 -13.662 -20.687 1.00 0.00 H new ATOM 0 HD3 LYS A 160 31.905 -14.764 -20.755 1.00 0.00 H new ATOM 0 HE2 LYS A 160 29.250 -15.510 -19.444 1.00 0.00 H new ATOM 0 HE3 LYS A 160 29.578 -15.808 -21.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 30.082 -17.750 -19.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 31.543 -17.100 -20.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 31.099 -16.887 -18.832 1.00 0.00 H new ATOM 332 N ARG A 161 33.761 -10.300 -17.246 1.00 0.00 N ATOM 333 CA ARG A 161 34.860 -9.343 -17.265 1.00 0.00 C ATOM 334 C ARG A 161 35.383 -9.096 -15.848 1.00 0.00 C ATOM 335 O ARG A 161 36.593 -9.075 -15.634 1.00 0.00 O ATOM 336 CB ARG A 161 34.379 -8.025 -17.891 1.00 0.00 C ATOM 337 CG ARG A 161 33.888 -8.254 -19.330 1.00 0.00 C ATOM 338 CD ARG A 161 35.046 -8.722 -20.220 1.00 0.00 C ATOM 339 NE ARG A 161 34.690 -8.626 -21.643 1.00 0.00 N ATOM 340 CZ ARG A 161 34.738 -7.476 -22.343 1.00 0.00 C ATOM 341 NH1 ARG A 161 35.081 -6.329 -21.740 1.00 0.00 N ATOM 342 NH2 ARG A 161 34.439 -7.479 -23.649 1.00 0.00 N ATOM 0 H ARG A 161 32.840 -9.878 -17.129 1.00 0.00 H new ATOM 0 HA ARG A 161 35.676 -9.751 -17.862 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.574 -7.604 -17.289 1.00 0.00 H new ATOM 0 HB3 ARG A 161 35.191 -7.298 -17.890 1.00 0.00 H new ATOM 0 HG2 ARG A 161 33.092 -8.999 -19.336 1.00 0.00 H new ATOM 0 HG3 ARG A 161 33.464 -7.332 -19.728 1.00 0.00 H new ATOM 0 HD2 ARG A 161 35.930 -8.116 -20.021 1.00 0.00 H new ATOM 0 HD3 ARG A 161 35.304 -9.752 -19.975 1.00 0.00 H new ATOM 0 HE ARG A 161 34.391 -9.474 -22.125 1.00 0.00 H new ATOM 0 HH11 ARG A 161 35.308 -6.324 -20.745 1.00 0.00 H new ATOM 0 HH12 ARG A 161 35.115 -5.462 -22.276 1.00 0.00 H new ATOM 0 HH21 ARG A 161 34.176 -8.350 -24.110 1.00 0.00 H new ATOM 0 HH22 ARG A 161 34.474 -6.610 -24.182 1.00 0.00 H new ATOM 356 N LEU A 162 34.471 -8.894 -14.890 1.00 0.00 N ATOM 357 CA LEU A 162 34.838 -8.588 -13.513 1.00 0.00 C ATOM 358 C LEU A 162 34.788 -9.847 -12.644 1.00 0.00 C ATOM 359 O LEU A 162 35.799 -10.233 -12.059 1.00 0.00 O ATOM 360 CB LEU A 162 33.880 -7.521 -12.961 1.00 0.00 C ATOM 361 CG LEU A 162 33.923 -6.248 -13.824 1.00 0.00 C ATOM 362 CD1 LEU A 162 32.870 -5.262 -13.315 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.309 -5.598 -13.740 1.00 0.00 C ATOM 0 H LEU A 162 33.465 -8.939 -15.051 1.00 0.00 H new ATOM 0 HA LEU A 162 35.859 -8.208 -13.493 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.864 -7.915 -12.937 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.152 -7.279 -11.934 1.00 0.00 H new ATOM 0 HG LEU A 162 33.718 -6.512 -14.861 1.00 0.00 H new ATOM 0 HD11 LEU A 162 32.895 -4.357 -13.922 1.00 0.00 H new ATOM 0 HD12 LEU A 162 31.882 -5.717 -13.383 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.082 -5.008 -12.276 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.327 -4.698 -14.355 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.525 -5.334 -12.705 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.062 -6.299 -14.101 1.00 0.00 H new ATOM 375 N GLY A 163 33.607 -10.472 -12.552 1.00 0.00 N ATOM 376 CA GLY A 163 33.403 -11.657 -11.724 1.00 0.00 C ATOM 377 C GLY A 163 32.207 -11.427 -10.808 1.00 0.00 C ATOM 378 O GLY A 163 31.213 -10.835 -11.226 1.00 0.00 O ATOM 0 H GLY A 163 32.771 -10.167 -13.050 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.232 -12.530 -12.353 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.296 -11.860 -11.133 1.00 0.00 H new ATOM 382 N ASN A 164 32.305 -11.882 -9.552 1.00 0.00 N ATOM 383 CA ASN A 164 31.234 -11.697 -8.576 1.00 0.00 C ATOM 384 C ASN A 164 31.367 -10.324 -7.910 1.00 0.00 C ATOM 385 O ASN A 164 30.969 -10.152 -6.759 1.00 0.00 O ATOM 386 CB ASN A 164 31.298 -12.806 -7.519 1.00 0.00 C ATOM 387 CG ASN A 164 31.414 -14.183 -8.164 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.310 -14.680 -8.718 1.00 0.00 O flip ATOM 389 ND2 ASN A 164 32.483 -14.786 -8.160 1.00 0.00 N flip ATOM 0 H ASN A 164 33.118 -12.381 -9.192 1.00 0.00 H new ATOM 0 HA ASN A 164 30.272 -11.749 -9.085 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.152 -12.637 -6.863 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.405 -12.769 -6.896 1.00 0.00 H new ATOM 0 HD21 ASN A 164 33.304 -14.366 -7.723 1.00 0.00 H new ATOM 0 HD22 ASN A 164 32.551 -15.707 -8.593 1.00 0.00 H new ATOM 396 N ARG A 165 31.932 -9.348 -8.634 1.00 0.00 N ATOM 397 CA ARG A 165 32.132 -8.008 -8.111 1.00 0.00 C ATOM 398 C ARG A 165 30.828 -7.223 -8.203 1.00 0.00 C ATOM 399 O ARG A 165 30.748 -6.228 -8.927 1.00 0.00 O ATOM 400 CB ARG A 165 33.235 -7.313 -8.915 1.00 0.00 C ATOM 401 CG ARG A 165 34.594 -7.950 -8.611 1.00 0.00 C ATOM 402 CD ARG A 165 35.649 -7.364 -9.554 1.00 0.00 C ATOM 403 NE ARG A 165 36.939 -7.194 -8.869 1.00 0.00 N ATOM 404 CZ ARG A 165 37.828 -6.222 -9.174 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.497 -5.215 -9.998 1.00 0.00 N ATOM 406 NH2 ARG A 165 39.059 -6.264 -8.645 1.00 0.00 N ATOM 0 H ARG A 165 32.258 -9.473 -9.592 1.00 0.00 H new ATOM 0 HA ARG A 165 32.434 -8.059 -7.065 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.020 -7.389 -9.981 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.260 -6.251 -8.669 1.00 0.00 H new ATOM 0 HG2 ARG A 165 34.872 -7.763 -7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.538 -9.031 -8.736 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.775 -8.020 -10.415 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.306 -6.402 -9.934 1.00 0.00 H new ATOM 0 HE ARG A 165 37.177 -7.846 -8.122 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.562 -5.175 -10.405 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.180 -4.490 -10.217 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.319 -7.025 -8.018 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.736 -5.535 -8.870 1.00 0.00 H new ATOM 420 N TRP A 166 29.801 -7.666 -7.468 1.00 0.00 N ATOM 421 CA TRP A 166 28.512 -6.993 -7.477 1.00 0.00 C ATOM 422 C TRP A 166 28.677 -5.563 -6.978 1.00 0.00 C ATOM 423 O TRP A 166 27.906 -4.698 -7.342 1.00 0.00 O ATOM 424 CB TRP A 166 27.503 -7.746 -6.613 1.00 0.00 C ATOM 425 CG TRP A 166 27.682 -9.225 -6.577 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.056 -9.916 -5.502 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.513 -10.214 -7.637 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.137 -11.258 -5.776 1.00 0.00 N ATOM 429 CE2 TRP A 166 27.808 -11.505 -7.095 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.142 -10.163 -9.000 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.739 -12.672 -7.858 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.076 -11.340 -9.777 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.379 -12.590 -9.206 1.00 0.00 C ATOM 0 H TRP A 166 29.845 -8.486 -6.863 1.00 0.00 H new ATOM 0 HA TRP A 166 28.133 -6.973 -8.499 1.00 0.00 H new ATOM 0 HB2 TRP A 166 27.563 -7.363 -5.594 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.500 -7.526 -6.978 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.268 -9.477 -4.538 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.403 -11.974 -5.100 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.906 -9.211 -9.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.962 -13.629 -7.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.791 -11.281 -10.817 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.333 -13.485 -9.809 1.00 0.00 H new ATOM 444 N ALA A 167 29.695 -5.315 -6.147 1.00 0.00 N ATOM 445 CA ALA A 167 29.964 -3.979 -5.645 1.00 0.00 C ATOM 446 C ALA A 167 30.157 -3.018 -6.821 1.00 0.00 C ATOM 447 O ALA A 167 29.730 -1.869 -6.758 1.00 0.00 O ATOM 448 CB ALA A 167 31.214 -4.013 -4.765 1.00 0.00 C ATOM 0 H ALA A 167 30.342 -6.028 -5.812 1.00 0.00 H new ATOM 0 HA ALA A 167 29.122 -3.630 -5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.420 -3.012 -4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.051 -4.692 -3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.064 -4.360 -5.353 1.00 0.00 H new ATOM 454 N GLU A 168 30.803 -3.498 -7.892 1.00 0.00 N ATOM 455 CA GLU A 168 31.065 -2.692 -9.074 1.00 0.00 C ATOM 456 C GLU A 168 29.868 -2.746 -10.027 1.00 0.00 C ATOM 457 O GLU A 168 29.385 -1.707 -10.472 1.00 0.00 O ATOM 458 CB GLU A 168 32.335 -3.212 -9.758 1.00 0.00 C ATOM 459 CG GLU A 168 33.557 -2.901 -8.881 1.00 0.00 C ATOM 460 CD GLU A 168 34.722 -3.828 -9.206 1.00 0.00 C ATOM 461 OE1 GLU A 168 35.025 -3.972 -10.411 1.00 0.00 O ATOM 462 OE2 GLU A 168 35.293 -4.379 -8.242 1.00 0.00 O ATOM 0 H GLU A 168 31.154 -4.453 -7.956 1.00 0.00 H new ATOM 0 HA GLU A 168 31.215 -1.651 -8.787 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.257 -4.287 -9.923 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.449 -2.747 -10.737 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.861 -1.865 -9.031 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.289 -3.005 -7.830 1.00 0.00 H new ATOM 469 N ILE A 169 29.391 -3.961 -10.339 1.00 0.00 N ATOM 470 CA ILE A 169 28.262 -4.147 -11.253 1.00 0.00 C ATOM 471 C ILE A 169 27.049 -3.346 -10.761 1.00 0.00 C ATOM 472 O ILE A 169 26.426 -2.614 -11.530 1.00 0.00 O ATOM 473 CB ILE A 169 27.917 -5.647 -11.343 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.102 -6.434 -11.928 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.690 -5.841 -12.243 1.00 0.00 C ATOM 476 CD1 ILE A 169 29.067 -7.881 -11.423 1.00 0.00 C ATOM 0 H ILE A 169 29.774 -4.830 -9.968 1.00 0.00 H new ATOM 0 HA ILE A 169 28.534 -3.785 -12.244 1.00 0.00 H new ATOM 0 HB ILE A 169 27.703 -6.016 -10.340 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.058 -6.418 -13.017 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.041 -5.962 -11.640 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.448 -6.902 -12.305 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.842 -5.300 -11.824 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.907 -5.459 -13.241 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.909 -8.433 -11.841 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.133 -7.888 -10.335 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.134 -8.352 -11.733 1.00 0.00 H new ATOM 488 N ALA A 170 26.721 -3.497 -9.476 1.00 0.00 N ATOM 489 CA ALA A 170 25.584 -2.826 -8.868 1.00 0.00 C ATOM 490 C ALA A 170 25.732 -1.307 -8.967 1.00 0.00 C ATOM 491 O ALA A 170 24.757 -0.616 -9.236 1.00 0.00 O ATOM 492 CB ALA A 170 25.462 -3.268 -7.405 1.00 0.00 C ATOM 0 H ALA A 170 27.242 -4.091 -8.831 1.00 0.00 H new ATOM 0 HA ALA A 170 24.676 -3.102 -9.403 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.611 -2.768 -6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.316 -4.347 -7.362 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.373 -3.004 -6.868 1.00 0.00 H new ATOM 498 N LYS A 171 26.950 -0.787 -8.747 1.00 0.00 N ATOM 499 CA LYS A 171 27.194 0.651 -8.814 1.00 0.00 C ATOM 500 C LYS A 171 27.047 1.148 -10.252 1.00 0.00 C ATOM 501 O LYS A 171 26.517 2.234 -10.475 1.00 0.00 O ATOM 502 CB LYS A 171 28.592 0.971 -8.276 1.00 0.00 C ATOM 503 CG LYS A 171 28.555 1.016 -6.743 1.00 0.00 C ATOM 504 CD LYS A 171 29.964 1.272 -6.180 1.00 0.00 C ATOM 505 CE LYS A 171 30.515 2.625 -6.660 1.00 0.00 C ATOM 506 NZ LYS A 171 29.563 3.722 -6.404 1.00 0.00 N ATOM 0 H LYS A 171 27.774 -1.344 -8.522 1.00 0.00 H new ATOM 0 HA LYS A 171 26.456 1.163 -8.196 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.303 0.216 -8.611 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.934 1.928 -8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 171 27.876 1.802 -6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 171 28.167 0.075 -6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 171 29.932 1.255 -5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 171 30.635 0.471 -6.492 1.00 0.00 H new ATOM 0 HE2 LYS A 171 31.457 2.835 -6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 171 30.731 2.572 -7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 30.048 4.635 -6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 28.775 3.663 -7.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 29.194 3.642 -5.435 1.00 0.00 H new ATOM 520 N LEU A 172 27.516 0.357 -11.227 1.00 0.00 N ATOM 521 CA LEU A 172 27.413 0.728 -12.633 1.00 0.00 C ATOM 522 C LEU A 172 25.939 0.844 -13.025 1.00 0.00 C ATOM 523 O LEU A 172 25.572 1.727 -13.799 1.00 0.00 O ATOM 524 CB LEU A 172 28.130 -0.316 -13.500 1.00 0.00 C ATOM 525 CG LEU A 172 29.653 -0.154 -13.375 1.00 0.00 C ATOM 526 CD1 LEU A 172 30.342 -1.446 -13.821 1.00 0.00 C ATOM 527 CD2 LEU A 172 30.132 1.003 -14.260 1.00 0.00 C ATOM 0 H LEU A 172 27.969 -0.542 -11.061 1.00 0.00 H new ATOM 0 HA LEU A 172 27.892 1.694 -12.794 1.00 0.00 H new ATOM 0 HB2 LEU A 172 27.837 -1.319 -13.191 1.00 0.00 H new ATOM 0 HB3 LEU A 172 27.829 -0.203 -14.542 1.00 0.00 H new ATOM 0 HG LEU A 172 29.903 0.059 -12.336 1.00 0.00 H new ATOM 0 HD11 LEU A 172 31.422 -1.331 -13.733 1.00 0.00 H new ATOM 0 HD12 LEU A 172 30.012 -2.271 -13.190 1.00 0.00 H new ATOM 0 HD13 LEU A 172 30.083 -1.657 -14.859 1.00 0.00 H new ATOM 0 HD21 LEU A 172 31.213 1.110 -14.165 1.00 0.00 H new ATOM 0 HD22 LEU A 172 29.878 0.795 -15.299 1.00 0.00 H new ATOM 0 HD23 LEU A 172 29.646 1.927 -13.945 1.00 0.00 H new ATOM 539 N LEU A 173 25.096 -0.043 -12.483 1.00 0.00 N ATOM 540 CA LEU A 173 23.667 -0.015 -12.755 1.00 0.00 C ATOM 541 C LEU A 173 23.016 1.073 -11.884 1.00 0.00 C ATOM 542 O LEU A 173 23.533 1.390 -10.816 1.00 0.00 O ATOM 543 CB LEU A 173 23.070 -1.394 -12.459 1.00 0.00 C ATOM 544 CG LEU A 173 23.536 -2.411 -13.516 1.00 0.00 C ATOM 545 CD1 LEU A 173 23.392 -3.830 -12.962 1.00 0.00 C ATOM 546 CD2 LEU A 173 22.685 -2.275 -14.784 1.00 0.00 C ATOM 0 H LEU A 173 25.387 -0.789 -11.852 1.00 0.00 H new ATOM 0 HA LEU A 173 23.480 0.220 -13.803 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.374 -1.725 -11.466 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.982 -1.334 -12.456 1.00 0.00 H new ATOM 0 HG LEU A 173 24.580 -2.216 -13.759 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.722 -4.549 -13.712 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.003 -3.934 -12.065 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.348 -4.019 -12.713 1.00 0.00 H new ATOM 0 HD21 LEU A 173 23.021 -2.998 -15.527 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.639 -2.463 -14.542 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.789 -1.267 -15.186 1.00 0.00 H new ATOM 558 N PRO A 174 21.889 1.663 -12.338 1.00 0.00 N ATOM 559 CA PRO A 174 21.228 2.739 -11.621 1.00 0.00 C ATOM 560 C PRO A 174 20.603 2.249 -10.302 1.00 0.00 C ATOM 561 O PRO A 174 21.231 2.342 -9.250 1.00 0.00 O ATOM 562 CB PRO A 174 20.174 3.286 -12.594 1.00 0.00 C ATOM 563 CG PRO A 174 20.028 2.241 -13.706 1.00 0.00 C ATOM 564 CD PRO A 174 21.237 1.311 -13.586 1.00 0.00 C ATOM 0 HA PRO A 174 21.932 3.515 -11.322 1.00 0.00 H new ATOM 0 HB2 PRO A 174 19.223 3.448 -12.086 1.00 0.00 H new ATOM 0 HB3 PRO A 174 20.485 4.247 -13.003 1.00 0.00 H new ATOM 0 HG2 PRO A 174 19.097 1.684 -13.596 1.00 0.00 H new ATOM 0 HG3 PRO A 174 20.000 2.718 -14.686 1.00 0.00 H new ATOM 0 HD2 PRO A 174 20.927 0.266 -13.583 1.00 0.00 H new ATOM 0 HD3 PRO A 174 21.914 1.440 -14.430 1.00 0.00 H new ATOM 572 N GLY A 175 19.360 1.746 -10.356 1.00 0.00 N ATOM 573 CA GLY A 175 18.640 1.322 -9.161 1.00 0.00 C ATOM 574 C GLY A 175 18.900 -0.147 -8.851 1.00 0.00 C ATOM 575 O GLY A 175 17.986 -0.966 -8.938 1.00 0.00 O ATOM 0 H GLY A 175 18.836 1.625 -11.223 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.946 1.935 -8.313 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.571 1.483 -9.301 1.00 0.00 H new ATOM 579 N ARG A 176 20.143 -0.479 -8.483 1.00 0.00 N ATOM 580 CA ARG A 176 20.517 -1.847 -8.139 1.00 0.00 C ATOM 581 C ARG A 176 21.440 -1.827 -6.923 1.00 0.00 C ATOM 582 O ARG A 176 22.047 -0.800 -6.622 1.00 0.00 O ATOM 583 CB ARG A 176 21.222 -2.515 -9.329 1.00 0.00 C ATOM 584 CG ARG A 176 20.293 -2.599 -10.552 1.00 0.00 C ATOM 585 CD ARG A 176 19.193 -3.640 -10.324 1.00 0.00 C ATOM 586 NE ARG A 176 18.377 -3.802 -11.540 1.00 0.00 N ATOM 587 CZ ARG A 176 17.144 -3.279 -11.696 1.00 0.00 C ATOM 588 NH1 ARG A 176 16.611 -2.474 -10.766 1.00 0.00 N ATOM 589 NH2 ARG A 176 16.447 -3.568 -12.798 1.00 0.00 N ATOM 0 H ARG A 176 20.909 0.191 -8.417 1.00 0.00 H new ATOM 0 HA ARG A 176 19.621 -2.420 -7.901 1.00 0.00 H new ATOM 0 HB2 ARG A 176 22.118 -1.950 -9.588 1.00 0.00 H new ATOM 0 HB3 ARG A 176 21.547 -3.516 -9.047 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.844 -1.624 -10.742 1.00 0.00 H new ATOM 0 HG3 ARG A 176 20.872 -2.862 -11.438 1.00 0.00 H new ATOM 0 HD2 ARG A 176 19.640 -4.595 -10.048 1.00 0.00 H new ATOM 0 HD3 ARG A 176 18.560 -3.332 -9.492 1.00 0.00 H new ATOM 0 HE ARG A 176 18.769 -4.343 -12.311 1.00 0.00 H new ATOM 0 HH11 ARG A 176 17.140 -2.248 -9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 176 15.677 -2.087 -10.901 1.00 0.00 H new ATOM 0 HH21 ARG A 176 16.848 -4.178 -13.510 1.00 0.00 H new ATOM 0 HH22 ARG A 176 15.513 -3.179 -12.928 1.00 0.00 H new ATOM 603 N THR A 177 21.544 -2.969 -6.227 1.00 0.00 N ATOM 604 CA THR A 177 22.399 -3.096 -5.052 1.00 0.00 C ATOM 605 C THR A 177 23.194 -4.396 -5.142 1.00 0.00 C ATOM 606 O THR A 177 22.770 -5.345 -5.804 1.00 0.00 O ATOM 607 CB THR A 177 21.549 -3.069 -3.775 1.00 0.00 C ATOM 608 OG1 THR A 177 20.588 -4.101 -3.821 1.00 0.00 O ATOM 609 CG2 THR A 177 20.840 -1.718 -3.646 1.00 0.00 C ATOM 0 H THR A 177 21.038 -3.822 -6.466 1.00 0.00 H new ATOM 0 HA THR A 177 23.094 -2.257 -5.016 1.00 0.00 H new ATOM 0 HB THR A 177 22.200 -3.216 -2.913 1.00 0.00 H new ATOM 0 HG1 THR A 177 20.048 -4.082 -3.003 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.239 -1.708 -2.737 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.582 -0.921 -3.600 1.00 0.00 H new ATOM 0 HG23 THR A 177 20.194 -1.562 -4.510 1.00 0.00 H new ATOM 617 N ASP A 178 24.349 -4.431 -4.474 1.00 0.00 N ATOM 618 CA ASP A 178 25.221 -5.594 -4.483 1.00 0.00 C ATOM 619 C ASP A 178 24.482 -6.817 -3.942 1.00 0.00 C ATOM 620 O ASP A 178 24.565 -7.894 -4.523 1.00 0.00 O ATOM 621 CB ASP A 178 26.470 -5.294 -3.645 1.00 0.00 C ATOM 622 CG ASP A 178 26.107 -5.003 -2.192 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.459 -3.956 -1.966 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.480 -5.834 -1.336 1.00 0.00 O ATOM 0 H ASP A 178 24.700 -3.653 -3.915 1.00 0.00 H new ATOM 0 HA ASP A 178 25.525 -5.814 -5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 178 27.152 -6.143 -3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.998 -4.439 -4.068 1.00 0.00 H new ATOM 629 N ASN A 179 23.763 -6.647 -2.827 1.00 0.00 N ATOM 630 CA ASN A 179 23.038 -7.739 -2.198 1.00 0.00 C ATOM 631 C ASN A 179 21.963 -8.289 -3.138 1.00 0.00 C ATOM 632 O ASN A 179 21.791 -9.506 -3.236 1.00 0.00 O ATOM 633 CB ASN A 179 22.411 -7.243 -0.894 1.00 0.00 C ATOM 634 CG ASN A 179 21.734 -8.388 -0.146 1.00 0.00 C ATOM 635 OD1 ASN A 179 22.257 -9.501 -0.104 1.00 0.00 O ATOM 636 ND2 ASN A 179 20.569 -8.117 0.442 1.00 0.00 N ATOM 0 H ASN A 179 23.672 -5.753 -2.344 1.00 0.00 H new ATOM 0 HA ASN A 179 23.733 -8.550 -1.978 1.00 0.00 H new ATOM 0 HB2 ASN A 179 23.179 -6.795 -0.264 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.681 -6.463 -1.110 1.00 0.00 H new ATOM 0 HD21 ASN A 179 20.074 -8.848 0.953 1.00 0.00 H new ATOM 0 HD22 ASN A 179 20.173 -7.179 0.381 1.00 0.00 H new ATOM 643 N ALA A 180 21.237 -7.395 -3.825 1.00 0.00 N ATOM 644 CA ALA A 180 20.174 -7.802 -4.733 1.00 0.00 C ATOM 645 C ALA A 180 20.740 -8.653 -5.867 1.00 0.00 C ATOM 646 O ALA A 180 20.264 -9.763 -6.100 1.00 0.00 O ATOM 647 CB ALA A 180 19.471 -6.563 -5.288 1.00 0.00 C ATOM 0 H ALA A 180 21.373 -6.386 -3.764 1.00 0.00 H new ATOM 0 HA ALA A 180 19.448 -8.405 -4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.676 -6.870 -5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 180 19.045 -5.988 -4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 180 20.191 -5.947 -5.827 1.00 0.00 H new ATOM 653 N ILE A 181 21.753 -8.136 -6.576 1.00 0.00 N ATOM 654 CA ILE A 181 22.350 -8.859 -7.693 1.00 0.00 C ATOM 655 C ILE A 181 22.986 -10.157 -7.191 1.00 0.00 C ATOM 656 O ILE A 181 22.882 -11.188 -7.850 1.00 0.00 O ATOM 657 CB ILE A 181 23.383 -7.975 -8.405 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.693 -6.703 -8.922 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.979 -8.751 -9.588 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.678 -5.849 -9.722 1.00 0.00 C ATOM 0 H ILE A 181 22.170 -7.224 -6.392 1.00 0.00 H new ATOM 0 HA ILE A 181 21.573 -9.115 -8.414 1.00 0.00 H new ATOM 0 HB ILE A 181 24.176 -7.701 -7.710 1.00 0.00 H new ATOM 0 HG12 ILE A 181 21.843 -6.972 -9.549 1.00 0.00 H new ATOM 0 HG13 ILE A 181 22.301 -6.128 -8.083 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.714 -8.128 -10.098 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.462 -9.657 -9.222 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.185 -9.019 -10.284 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.174 -4.952 -10.081 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.514 -5.564 -9.084 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.049 -6.422 -10.572 1.00 0.00 H new ATOM 672 N LYS A 182 23.639 -10.105 -6.025 1.00 0.00 N ATOM 673 CA LYS A 182 24.268 -11.278 -5.437 1.00 0.00 C ATOM 674 C LYS A 182 23.237 -12.399 -5.299 1.00 0.00 C ATOM 675 O LYS A 182 23.447 -13.499 -5.802 1.00 0.00 O ATOM 676 CB LYS A 182 24.854 -10.898 -4.070 1.00 0.00 C ATOM 677 CG LYS A 182 25.474 -12.126 -3.391 1.00 0.00 C ATOM 678 CD LYS A 182 25.888 -11.770 -1.955 1.00 0.00 C ATOM 679 CE LYS A 182 24.849 -12.299 -0.956 1.00 0.00 C ATOM 680 NZ LYS A 182 23.523 -11.688 -1.173 1.00 0.00 N ATOM 0 H LYS A 182 23.742 -9.254 -5.472 1.00 0.00 H new ATOM 0 HA LYS A 182 25.074 -11.635 -6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.611 -10.123 -4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.072 -10.481 -3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.758 -12.948 -3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.342 -12.467 -3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 182 26.866 -12.198 -1.734 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.983 -10.689 -1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 182 24.771 -13.382 -1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 182 25.183 -12.092 0.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 22.798 -12.248 -0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 23.523 -10.717 -0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 23.312 -11.668 -2.191 1.00 0.00 H new ATOM 694 N ASN A 183 22.123 -12.113 -4.611 1.00 0.00 N ATOM 695 CA ASN A 183 21.070 -13.098 -4.395 1.00 0.00 C ATOM 696 C ASN A 183 20.494 -13.562 -5.733 1.00 0.00 C ATOM 697 O ASN A 183 20.379 -14.760 -5.974 1.00 0.00 O ATOM 698 CB ASN A 183 19.973 -12.481 -3.522 1.00 0.00 C ATOM 699 CG ASN A 183 18.739 -13.380 -3.477 1.00 0.00 C ATOM 700 OD1 ASN A 183 17.674 -12.996 -3.948 1.00 0.00 O ATOM 701 ND2 ASN A 183 18.886 -14.579 -2.912 1.00 0.00 N ATOM 0 H ASN A 183 21.933 -11.201 -4.195 1.00 0.00 H new ATOM 0 HA ASN A 183 21.486 -13.968 -3.886 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.351 -12.326 -2.512 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.700 -11.501 -3.914 1.00 0.00 H new ATOM 0 HD21 ASN A 183 18.093 -15.218 -2.859 1.00 0.00 H new ATOM 0 HD22 ASN A 183 19.791 -14.857 -2.533 1.00 0.00 H new ATOM 708 N HIS A 184 20.132 -12.603 -6.592 1.00 0.00 N ATOM 709 CA HIS A 184 19.552 -12.892 -7.897 1.00 0.00 C ATOM 710 C HIS A 184 20.415 -13.896 -8.661 1.00 0.00 C ATOM 711 O HIS A 184 19.922 -14.941 -9.084 1.00 0.00 O ATOM 712 CB HIS A 184 19.425 -11.582 -8.678 1.00 0.00 C ATOM 713 CG HIS A 184 19.246 -11.790 -10.160 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.298 -12.655 -10.697 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.889 -11.254 -11.246 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.426 -12.584 -12.038 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.383 -11.745 -12.437 1.00 0.00 N ATOM 0 H HIS A 184 20.235 -11.607 -6.397 1.00 0.00 H new ATOM 0 HA HIS A 184 18.566 -13.338 -7.769 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.577 -11.017 -8.292 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.315 -10.977 -8.507 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.693 -10.536 -11.180 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.813 -13.152 -12.722 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.672 -11.520 -13.389 1.00 0.00 H new ATOM 725 N TRP A 185 21.699 -13.577 -8.843 1.00 0.00 N ATOM 726 CA TRP A 185 22.604 -14.446 -9.569 1.00 0.00 C ATOM 727 C TRP A 185 22.731 -15.786 -8.844 1.00 0.00 C ATOM 728 O TRP A 185 22.707 -16.836 -9.481 1.00 0.00 O ATOM 729 CB TRP A 185 23.966 -13.764 -9.717 1.00 0.00 C ATOM 730 CG TRP A 185 24.968 -14.536 -10.525 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.661 -15.596 -10.094 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.408 -14.330 -11.899 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.501 -16.074 -11.066 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.389 -15.324 -12.216 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.086 -13.410 -12.915 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.013 -15.395 -13.462 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.713 -13.476 -14.176 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.676 -14.465 -14.448 1.00 0.00 C ATOM 0 H TRP A 185 22.128 -12.720 -8.494 1.00 0.00 H new ATOM 0 HA TRP A 185 22.208 -14.637 -10.566 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.820 -12.788 -10.180 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.379 -13.587 -8.724 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.570 -16.021 -9.105 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.123 -16.874 -10.953 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.349 -12.644 -12.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.748 -16.160 -13.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.451 -12.760 -14.941 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.153 -14.505 -15.416 1.00 0.00 H new ATOM 749 N ASN A 186 22.862 -15.750 -7.509 1.00 0.00 N ATOM 750 CA ASN A 186 22.992 -16.964 -6.705 1.00 0.00 C ATOM 751 C ASN A 186 21.621 -17.623 -6.511 1.00 0.00 C ATOM 752 O ASN A 186 21.275 -18.008 -5.396 1.00 0.00 O ATOM 753 CB ASN A 186 23.614 -16.617 -5.344 1.00 0.00 C ATOM 754 CG ASN A 186 25.027 -16.056 -5.490 1.00 0.00 C ATOM 755 OD1 ASN A 186 25.641 -16.158 -6.551 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.547 -15.465 -4.415 1.00 0.00 N ATOM 0 H ASN A 186 22.880 -14.887 -6.966 1.00 0.00 H new ATOM 0 HA ASN A 186 23.642 -17.668 -7.225 1.00 0.00 H new ATOM 0 HB2 ASN A 186 22.985 -15.888 -4.833 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.641 -17.509 -4.719 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.489 -15.076 -4.453 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.003 -15.402 -3.554 1.00 0.00 H new ATOM 763 N SER A 187 20.849 -17.754 -7.600 1.00 0.00 N ATOM 764 CA SER A 187 19.526 -18.364 -7.564 1.00 0.00 C ATOM 765 C SER A 187 19.053 -18.620 -8.993 1.00 0.00 C ATOM 766 O SER A 187 18.779 -19.757 -9.367 1.00 0.00 O ATOM 767 CB SER A 187 18.534 -17.437 -6.842 1.00 0.00 C ATOM 768 OG SER A 187 18.626 -17.620 -5.445 1.00 0.00 O ATOM 0 H SER A 187 21.131 -17.437 -8.528 1.00 0.00 H new ATOM 0 HA SER A 187 19.578 -19.308 -7.021 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.745 -16.398 -7.095 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.518 -17.647 -7.178 1.00 0.00 H new ATOM 0 HG SER A 187 19.512 -17.972 -5.219 1.00 0.00 H new ATOM 774 N THR A 188 18.955 -17.546 -9.784 1.00 0.00 N ATOM 775 CA THR A 188 18.482 -17.626 -11.157 1.00 0.00 C ATOM 776 C THR A 188 19.625 -17.990 -12.109 1.00 0.00 C ATOM 777 O THR A 188 19.425 -18.761 -13.048 1.00 0.00 O ATOM 778 CB THR A 188 17.876 -16.269 -11.548 1.00 0.00 C ATOM 779 OG1 THR A 188 17.039 -15.805 -10.508 1.00 0.00 O ATOM 780 CG2 THR A 188 17.057 -16.413 -12.831 1.00 0.00 C ATOM 0 H THR A 188 19.202 -16.603 -9.485 1.00 0.00 H new ATOM 0 HA THR A 188 17.726 -18.408 -11.233 1.00 0.00 H new ATOM 0 HB THR A 188 18.683 -15.555 -11.714 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.224 -14.858 -10.337 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.631 -15.447 -13.101 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.702 -16.763 -13.637 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.253 -17.132 -12.671 1.00 0.00 H new ATOM 788 N MET A 189 20.817 -17.420 -11.877 1.00 0.00 N ATOM 789 CA MET A 189 21.959 -17.627 -12.759 1.00 0.00 C ATOM 790 C MET A 189 22.799 -18.826 -12.298 1.00 0.00 C ATOM 791 O MET A 189 22.309 -19.951 -12.294 1.00 0.00 O ATOM 792 CB MET A 189 22.794 -16.341 -12.807 1.00 0.00 C ATOM 793 CG MET A 189 21.951 -15.189 -13.374 1.00 0.00 C ATOM 794 SD MET A 189 21.572 -15.352 -15.136 1.00 0.00 S ATOM 795 CE MET A 189 23.211 -14.991 -15.810 1.00 0.00 C ATOM 0 H MET A 189 21.008 -16.811 -11.081 1.00 0.00 H new ATOM 0 HA MET A 189 21.605 -17.856 -13.764 1.00 0.00 H new ATOM 0 HB2 MET A 189 23.145 -16.088 -11.807 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.678 -16.494 -13.426 1.00 0.00 H new ATOM 0 HG2 MET A 189 21.017 -15.127 -12.816 1.00 0.00 H new ATOM 0 HG3 MET A 189 22.481 -14.251 -13.212 1.00 0.00 H new ATOM 0 HE1 MET A 189 23.256 -15.315 -16.850 1.00 0.00 H new ATOM 0 HE2 MET A 189 23.399 -13.919 -15.755 1.00 0.00 H new ATOM 0 HE3 MET A 189 23.967 -15.522 -15.232 1.00 0.00 H new ATOM 805 N ARG A 190 24.072 -18.577 -11.931 1.00 0.00 N ATOM 806 CA ARG A 190 25.010 -19.631 -11.539 1.00 0.00 C ATOM 807 C ARG A 190 25.205 -20.610 -12.704 1.00 0.00 C ATOM 808 O ARG A 190 25.343 -21.812 -12.495 1.00 0.00 O ATOM 809 CB ARG A 190 24.518 -20.351 -10.268 1.00 0.00 C ATOM 810 CG ARG A 190 24.751 -19.459 -9.045 1.00 0.00 C ATOM 811 CD ARG A 190 26.161 -19.692 -8.494 1.00 0.00 C ATOM 812 NE ARG A 190 26.549 -18.613 -7.577 1.00 0.00 N ATOM 813 CZ ARG A 190 27.700 -18.615 -6.884 1.00 0.00 C ATOM 814 NH1 ARG A 190 28.529 -19.665 -6.953 1.00 0.00 N ATOM 815 NH2 ARG A 190 28.017 -17.560 -6.125 1.00 0.00 N ATOM 0 H ARG A 190 24.472 -17.639 -11.900 1.00 0.00 H new ATOM 0 HA ARG A 190 25.976 -19.184 -11.304 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.458 -20.588 -10.360 1.00 0.00 H new ATOM 0 HB3 ARG A 190 25.047 -21.296 -10.146 1.00 0.00 H new ATOM 0 HG2 ARG A 190 24.626 -18.411 -9.319 1.00 0.00 H new ATOM 0 HG3 ARG A 190 24.010 -19.678 -8.277 1.00 0.00 H new ATOM 0 HD2 ARG A 190 26.199 -20.649 -7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 190 26.873 -19.749 -9.317 1.00 0.00 H new ATOM 0 HE ARG A 190 25.914 -17.823 -7.460 1.00 0.00 H new ATOM 0 HH11 ARG A 190 28.288 -20.468 -7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 190 29.402 -19.661 -6.425 1.00 0.00 H new ATOM 0 HH21 ARG A 190 27.386 -16.760 -6.075 1.00 0.00 H new ATOM 0 HH22 ARG A 190 28.889 -17.556 -5.597 1.00 0.00 H new