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= 0.166 K(o=2.2,f=-1.5) USER MOD Set 1.2: A 187 SER OG : rot -94:sc= 1.06 USER MOD Set 1.3: A 188 THR OG1 : rot 143:sc= 0.96 USER MOD Set 2.1: A 177 THR OG1 : rot 180:sc= -0.0126 USER MOD Set 2.2: A 179 ASN : amide:sc= -0.0627 K(o=-0.075,f=-1.5) USER MOD Set 3.1: A 159 HIS : no HD1:sc= -0.618 K(o=-0.15,f=-5!) USER MOD Set 3.2: A 164 ASN :FLIP amide:sc= 0.464 F(o=-1.4,f=-0.15) USER MOD Set 4.1: A 156 TYR OH : rot 166:sc= 0.342 USER MOD Set 4.2: A 160 LYS NZ :NH3+ -153:sc= 1.17 (180deg=0.0662) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.00979 USER MOD Single : A 157 GLN : amide:sc= -0.097 X(o=-0.097,f=-0.11) USER MOD Single : A 171 LYS NZ :NH3+ -174:sc= 2.35 (180deg=2.32) USER MOD Single : A 182 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.112) USER MOD Single : A 183 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 ASN : amide:sc= 0.985 K(o=0.99,f=0) USER MOD Single : A 189 MET CE :methyl -143:sc= -1.39 (180deg=-1.56) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.196 -10.384 -13.404 1.00 0.00 N ATOM 89 CA TRP A 147 14.407 -10.053 -14.137 1.00 0.00 C ATOM 90 C TRP A 147 14.180 -10.287 -15.629 1.00 0.00 C ATOM 91 O TRP A 147 13.784 -11.379 -16.033 1.00 0.00 O ATOM 92 CB TRP A 147 15.566 -10.914 -13.627 1.00 0.00 C ATOM 93 CG TRP A 147 16.230 -10.395 -12.391 1.00 0.00 C ATOM 94 CD1 TRP A 147 15.945 -10.760 -11.130 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.302 -9.413 -12.275 1.00 0.00 C ATOM 96 NE1 TRP A 147 16.745 -10.093 -10.232 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.609 -9.240 -10.888 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.054 -8.648 -13.195 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.600 -8.362 -10.443 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.054 -7.760 -12.749 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.327 -7.620 -11.378 1.00 0.00 C ATOM 0 HA TRP A 147 14.657 -9.004 -13.982 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.195 -11.920 -13.429 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.313 -10.999 -14.416 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.189 -11.481 -10.858 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.705 -10.212 -9.220 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.860 -8.745 -14.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.802 -8.258 -9.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.615 -7.182 -13.468 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.098 -6.940 -11.047 1.00 0.00 H new ATOM 112 N THR A 148 14.435 -9.258 -16.446 1.00 0.00 N ATOM 113 CA THR A 148 14.279 -9.358 -17.888 1.00 0.00 C ATOM 114 C THR A 148 15.559 -9.931 -18.490 1.00 0.00 C ATOM 115 O THR A 148 16.646 -9.698 -17.963 1.00 0.00 O ATOM 116 CB THR A 148 13.978 -7.969 -18.466 1.00 0.00 C ATOM 117 OG1 THR A 148 14.978 -7.058 -18.060 1.00 0.00 O ATOM 118 CG2 THR A 148 12.615 -7.484 -17.965 1.00 0.00 C ATOM 0 H THR A 148 14.752 -8.344 -16.123 1.00 0.00 H new ATOM 0 HA THR A 148 13.449 -10.021 -18.132 1.00 0.00 H new ATOM 0 HB THR A 148 13.963 -8.031 -19.554 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.784 -6.172 -18.432 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.406 -6.497 -18.378 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.841 -8.182 -18.283 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.627 -7.427 -16.877 1.00 0.00 H new ATOM 126 N GLU A 149 15.434 -10.681 -19.593 1.00 0.00 N ATOM 127 CA GLU A 149 16.589 -11.284 -20.249 1.00 0.00 C ATOM 128 C GLU A 149 17.580 -10.195 -20.682 1.00 0.00 C ATOM 129 O GLU A 149 18.789 -10.423 -20.685 1.00 0.00 O ATOM 130 CB GLU A 149 16.126 -12.150 -21.435 1.00 0.00 C ATOM 131 CG GLU A 149 15.447 -11.297 -22.524 1.00 0.00 C ATOM 132 CD GLU A 149 16.463 -10.678 -23.485 1.00 0.00 C ATOM 133 OE1 GLU A 149 17.527 -11.303 -23.683 1.00 0.00 O ATOM 134 OE2 GLU A 149 16.155 -9.589 -24.010 1.00 0.00 O ATOM 0 H GLU A 149 14.542 -10.881 -20.046 1.00 0.00 H new ATOM 0 HA GLU A 149 17.109 -11.936 -19.548 1.00 0.00 H new ATOM 0 HB2 GLU A 149 16.982 -12.673 -21.862 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.431 -12.912 -21.082 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.748 -11.916 -23.086 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.864 -10.505 -22.053 1.00 0.00 H new ATOM 141 N GLU A 150 17.065 -9.007 -21.037 1.00 0.00 N ATOM 142 CA GLU A 150 17.900 -7.887 -21.436 1.00 0.00 C ATOM 143 C GLU A 150 18.822 -7.509 -20.281 1.00 0.00 C ATOM 144 O GLU A 150 20.039 -7.467 -20.444 1.00 0.00 O ATOM 145 CB GLU A 150 16.999 -6.708 -21.834 1.00 0.00 C ATOM 146 CG GLU A 150 17.842 -5.539 -22.372 1.00 0.00 C ATOM 147 CD GLU A 150 18.039 -5.645 -23.880 1.00 0.00 C ATOM 148 OE1 GLU A 150 17.048 -5.402 -24.599 1.00 0.00 O ATOM 149 OE2 GLU A 150 19.179 -5.969 -24.287 1.00 0.00 O ATOM 0 H GLU A 150 16.065 -8.807 -21.052 1.00 0.00 H new ATOM 0 HA GLU A 150 18.517 -8.158 -22.293 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.286 -7.029 -22.593 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.420 -6.379 -20.971 1.00 0.00 H new ATOM 0 HG2 GLU A 150 17.353 -4.595 -22.133 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.813 -5.530 -21.876 1.00 0.00 H new ATOM 156 N GLU A 151 18.232 -7.239 -19.113 1.00 0.00 N ATOM 157 CA GLU A 151 18.988 -6.862 -17.933 1.00 0.00 C ATOM 158 C GLU A 151 19.944 -7.993 -17.544 1.00 0.00 C ATOM 159 O GLU A 151 21.094 -7.741 -17.187 1.00 0.00 O ATOM 160 CB GLU A 151 18.005 -6.550 -16.798 1.00 0.00 C ATOM 161 CG GLU A 151 18.711 -5.777 -15.682 1.00 0.00 C ATOM 162 CD GLU A 151 18.698 -4.279 -15.954 1.00 0.00 C ATOM 163 OE1 GLU A 151 19.415 -3.860 -16.885 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.969 -3.578 -15.215 1.00 0.00 O ATOM 0 H GLU A 151 17.223 -7.277 -18.967 1.00 0.00 H new ATOM 0 HA GLU A 151 19.588 -5.975 -18.135 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.169 -5.965 -17.182 1.00 0.00 H new ATOM 0 HB3 GLU A 151 17.590 -7.477 -16.402 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.221 -5.980 -14.730 1.00 0.00 H new ATOM 0 HG3 GLU A 151 19.740 -6.124 -15.591 1.00 0.00 H new ATOM 171 N ASP A 152 19.466 -9.241 -17.616 1.00 0.00 N ATOM 172 CA ASP A 152 20.279 -10.401 -17.275 1.00 0.00 C ATOM 173 C ASP A 152 21.543 -10.432 -18.134 1.00 0.00 C ATOM 174 O ASP A 152 22.628 -10.688 -17.621 1.00 0.00 O ATOM 175 CB ASP A 152 19.460 -11.687 -17.468 1.00 0.00 C ATOM 176 CG ASP A 152 19.347 -12.464 -16.162 1.00 0.00 C ATOM 177 OD1 ASP A 152 20.415 -12.798 -15.609 1.00 0.00 O ATOM 178 OD2 ASP A 152 18.194 -12.709 -15.743 1.00 0.00 O ATOM 0 H ASP A 152 18.516 -9.468 -17.909 1.00 0.00 H new ATOM 0 HA ASP A 152 20.579 -10.332 -16.229 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.464 -11.437 -17.834 1.00 0.00 H new ATOM 0 HB3 ASP A 152 19.931 -12.312 -18.227 1.00 0.00 H new ATOM 183 N ARG A 153 21.402 -10.171 -19.443 1.00 0.00 N ATOM 184 CA ARG A 153 22.536 -10.183 -20.361 1.00 0.00 C ATOM 185 C ARG A 153 23.610 -9.182 -19.914 1.00 0.00 C ATOM 186 O ARG A 153 24.799 -9.437 -20.102 1.00 0.00 O ATOM 187 CB ARG A 153 22.059 -9.874 -21.788 1.00 0.00 C ATOM 188 CG ARG A 153 21.639 -11.177 -22.479 1.00 0.00 C ATOM 189 CD ARG A 153 21.344 -10.922 -23.962 1.00 0.00 C ATOM 190 NE ARG A 153 20.013 -10.320 -24.148 1.00 0.00 N ATOM 191 CZ ARG A 153 19.804 -9.017 -24.417 1.00 0.00 C ATOM 192 NH1 ARG A 153 20.797 -8.124 -24.315 1.00 0.00 N ATOM 193 NH2 ARG A 153 18.586 -8.605 -24.782 1.00 0.00 N ATOM 0 H ARG A 153 20.509 -9.949 -19.884 1.00 0.00 H new ATOM 0 HA ARG A 153 22.983 -11.177 -20.351 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.221 -9.178 -21.760 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.856 -9.391 -22.353 1.00 0.00 H new ATOM 0 HG2 ARG A 153 22.431 -11.920 -22.381 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.755 -11.587 -21.991 1.00 0.00 H new ATOM 0 HD2 ARG A 153 22.105 -10.262 -24.378 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.401 -11.861 -24.513 1.00 0.00 H new ATOM 0 HE ARG A 153 19.198 -10.928 -24.068 1.00 0.00 H new ATOM 0 HH11 ARG A 153 21.728 -8.427 -24.030 1.00 0.00 H new ATOM 0 HH12 ARG A 153 20.622 -7.141 -24.522 1.00 0.00 H new ATOM 0 HH21 ARG A 153 17.821 -9.276 -24.855 1.00 0.00 H new ATOM 0 HH22 ARG A 153 18.421 -7.620 -24.987 1.00 0.00 H new ATOM 207 N ILE A 154 23.206 -8.048 -19.320 1.00 0.00 N ATOM 208 CA ILE A 154 24.165 -7.051 -18.852 1.00 0.00 C ATOM 209 C ILE A 154 25.043 -7.670 -17.765 1.00 0.00 C ATOM 210 O ILE A 154 26.272 -7.642 -17.864 1.00 0.00 O ATOM 211 CB ILE A 154 23.429 -5.809 -18.311 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.485 -5.218 -19.379 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.455 -4.752 -17.881 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.220 -4.991 -20.706 1.00 0.00 C ATOM 0 H ILE A 154 22.229 -7.805 -19.156 1.00 0.00 H new ATOM 0 HA ILE A 154 24.793 -6.734 -19.685 1.00 0.00 H new ATOM 0 HB ILE A 154 22.828 -6.109 -17.453 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.644 -5.892 -19.537 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.074 -4.274 -19.022 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.934 -3.874 -17.499 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.095 -5.163 -17.100 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.065 -4.467 -18.738 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.529 -4.574 -21.438 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.046 -4.297 -20.550 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.609 -5.941 -21.074 1.00 0.00 H new ATOM 226 N ILE A 155 24.409 -8.232 -16.729 1.00 0.00 N ATOM 227 CA ILE A 155 25.128 -8.854 -15.626 1.00 0.00 C ATOM 228 C ILE A 155 25.908 -10.065 -16.136 1.00 0.00 C ATOM 229 O ILE A 155 26.982 -10.356 -15.636 1.00 0.00 O ATOM 230 CB ILE A 155 24.133 -9.259 -14.524 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.455 -7.999 -13.964 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.876 -9.986 -13.387 1.00 0.00 C ATOM 233 CD1 ILE A 155 22.172 -8.378 -13.228 1.00 0.00 C ATOM 0 H ILE A 155 23.394 -8.265 -16.637 1.00 0.00 H new ATOM 0 HA ILE A 155 25.839 -8.145 -15.203 1.00 0.00 H new ATOM 0 HB ILE A 155 23.382 -9.927 -14.946 1.00 0.00 H new ATOM 0 HG12 ILE A 155 24.134 -7.482 -13.286 1.00 0.00 H new ATOM 0 HG13 ILE A 155 23.228 -7.308 -14.775 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.165 -10.269 -12.611 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.359 -10.880 -13.781 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.631 -9.323 -12.963 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.699 -7.478 -12.835 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.490 -8.875 -13.918 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.410 -9.052 -12.405 1.00 0.00 H new ATOM 245 N TYR A 156 25.365 -10.770 -17.131 1.00 0.00 N ATOM 246 CA TYR A 156 26.014 -11.945 -17.689 1.00 0.00 C ATOM 247 C TYR A 156 27.384 -11.579 -18.253 1.00 0.00 C ATOM 248 O TYR A 156 28.391 -12.172 -17.868 1.00 0.00 O ATOM 249 CB TYR A 156 25.116 -12.551 -18.772 1.00 0.00 C ATOM 250 CG TYR A 156 25.575 -13.915 -19.232 1.00 0.00 C ATOM 251 CD1 TYR A 156 25.471 -15.015 -18.364 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.103 -14.086 -20.524 1.00 0.00 C ATOM 253 CE1 TYR A 156 25.897 -16.283 -18.783 1.00 0.00 C ATOM 254 CE2 TYR A 156 26.530 -15.358 -20.943 1.00 0.00 C ATOM 255 CZ TYR A 156 26.428 -16.456 -20.071 1.00 0.00 C ATOM 256 OH TYR A 156 26.859 -17.686 -20.473 1.00 0.00 O ATOM 0 H TYR A 156 24.471 -10.540 -17.565 1.00 0.00 H new ATOM 0 HA TYR A 156 26.167 -12.685 -16.903 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.098 -12.627 -18.390 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.085 -11.877 -19.628 1.00 0.00 H new ATOM 0 HD1 TYR A 156 25.062 -14.883 -17.373 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.180 -13.242 -21.193 1.00 0.00 H new ATOM 0 HE1 TYR A 156 25.817 -17.127 -18.115 1.00 0.00 H new ATOM 0 HE2 TYR A 156 26.936 -15.492 -21.935 1.00 0.00 H new ATOM 0 HH TYR A 156 26.981 -17.688 -21.445 1.00 0.00 H new ATOM 266 N GLN A 157 27.425 -10.607 -19.166 1.00 0.00 N ATOM 267 CA GLN A 157 28.672 -10.191 -19.791 1.00 0.00 C ATOM 268 C GLN A 157 29.617 -9.591 -18.748 1.00 0.00 C ATOM 269 O GLN A 157 30.797 -9.937 -18.711 1.00 0.00 O ATOM 270 CB GLN A 157 28.369 -9.172 -20.903 1.00 0.00 C ATOM 271 CG GLN A 157 28.855 -9.712 -22.251 1.00 0.00 C ATOM 272 CD GLN A 157 28.082 -10.968 -22.648 1.00 0.00 C ATOM 273 OE1 GLN A 157 26.856 -10.950 -22.713 1.00 0.00 O ATOM 274 NE2 GLN A 157 28.801 -12.059 -22.913 1.00 0.00 N ATOM 0 H GLN A 157 26.604 -10.094 -19.487 1.00 0.00 H new ATOM 0 HA GLN A 157 29.164 -11.059 -20.229 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.298 -8.974 -20.945 1.00 0.00 H new ATOM 0 HB3 GLN A 157 28.860 -8.224 -20.683 1.00 0.00 H new ATOM 0 HG2 GLN A 157 28.733 -8.948 -23.018 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.920 -9.939 -22.194 1.00 0.00 H new ATOM 0 HE21 GLN A 157 29.818 -12.028 -22.846 1.00 0.00 H new ATOM 0 HE22 GLN A 157 28.334 -12.925 -23.183 1.00 0.00 H new ATOM 283 N ALA A 158 29.101 -8.686 -17.909 1.00 0.00 N ATOM 284 CA ALA A 158 29.909 -8.016 -16.899 1.00 0.00 C ATOM 285 C ALA A 158 30.517 -9.027 -15.922 1.00 0.00 C ATOM 286 O ALA A 158 31.718 -9.007 -15.683 1.00 0.00 O ATOM 287 CB ALA A 158 29.041 -7.002 -16.153 1.00 0.00 C ATOM 0 H ALA A 158 28.121 -8.403 -17.915 1.00 0.00 H new ATOM 0 HA ALA A 158 30.733 -7.497 -17.390 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.641 -6.497 -15.396 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.653 -6.267 -16.858 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.210 -7.518 -15.673 1.00 0.00 H new ATOM 293 N HIS A 159 29.683 -9.899 -15.352 1.00 0.00 N ATOM 294 CA HIS A 159 30.128 -10.873 -14.363 1.00 0.00 C ATOM 295 C HIS A 159 31.172 -11.826 -14.945 1.00 0.00 C ATOM 296 O HIS A 159 32.108 -12.204 -14.251 1.00 0.00 O ATOM 297 CB HIS A 159 28.923 -11.662 -13.847 1.00 0.00 C ATOM 298 CG HIS A 159 29.305 -12.636 -12.768 1.00 0.00 C ATOM 299 ND1 HIS A 159 29.730 -13.930 -13.039 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.350 -12.530 -11.404 1.00 0.00 C ATOM 301 CE1 HIS A 159 29.998 -14.507 -11.851 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.787 -13.703 -10.811 1.00 0.00 N ATOM 0 H HIS A 159 28.686 -9.947 -15.564 1.00 0.00 H new ATOM 0 HA HIS A 159 30.596 -10.335 -13.539 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.175 -10.969 -13.461 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.462 -12.201 -14.675 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.078 -11.640 -10.857 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.350 -15.523 -11.752 1.00 0.00 H new ATOM 0 HE2 HIS A 159 29.916 -13.902 -9.819 1.00 0.00 H new ATOM 310 N LYS A 160 31.018 -12.226 -16.207 1.00 0.00 N ATOM 311 CA LYS A 160 31.953 -13.159 -16.826 1.00 0.00 C ATOM 312 C LYS A 160 33.322 -12.502 -17.058 1.00 0.00 C ATOM 313 O LYS A 160 34.280 -13.199 -17.388 1.00 0.00 O ATOM 314 CB LYS A 160 31.360 -13.679 -18.138 1.00 0.00 C ATOM 315 CG LYS A 160 30.243 -14.680 -17.823 1.00 0.00 C ATOM 316 CD LYS A 160 29.507 -15.080 -19.105 1.00 0.00 C ATOM 317 CE LYS A 160 30.368 -16.041 -19.933 1.00 0.00 C ATOM 318 NZ LYS A 160 29.592 -16.626 -21.043 1.00 0.00 N ATOM 0 H LYS A 160 30.259 -11.920 -16.816 1.00 0.00 H new ATOM 0 HA LYS A 160 32.112 -14.000 -16.151 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.967 -12.850 -18.727 1.00 0.00 H new ATOM 0 HB3 LYS A 160 32.135 -14.157 -18.737 1.00 0.00 H new ATOM 0 HG2 LYS A 160 30.663 -15.565 -17.346 1.00 0.00 H new ATOM 0 HG3 LYS A 160 29.541 -14.240 -17.115 1.00 0.00 H new ATOM 0 HD2 LYS A 160 28.558 -15.554 -18.855 1.00 0.00 H new ATOM 0 HD3 LYS A 160 29.275 -14.191 -19.692 1.00 0.00 H new ATOM 0 HE2 LYS A 160 31.233 -15.509 -20.330 1.00 0.00 H new ATOM 0 HE3 LYS A 160 30.749 -16.836 -19.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 29.989 -17.554 -21.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 28.601 -16.741 -20.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 29.638 -15.996 -21.869 1.00 0.00 H new ATOM 332 N ARG A 161 33.416 -11.173 -16.883 1.00 0.00 N ATOM 333 CA ARG A 161 34.669 -10.449 -17.076 1.00 0.00 C ATOM 334 C ARG A 161 35.238 -9.981 -15.732 1.00 0.00 C ATOM 335 O ARG A 161 36.425 -10.158 -15.467 1.00 0.00 O ATOM 336 CB ARG A 161 34.416 -9.246 -17.991 1.00 0.00 C ATOM 337 CG ARG A 161 34.118 -9.728 -19.415 1.00 0.00 C ATOM 338 CD ARG A 161 33.712 -8.538 -20.291 1.00 0.00 C ATOM 339 NE ARG A 161 34.771 -7.518 -20.335 1.00 0.00 N ATOM 340 CZ ARG A 161 35.891 -7.643 -21.073 1.00 0.00 C ATOM 341 NH1 ARG A 161 36.089 -8.734 -21.826 1.00 0.00 N ATOM 342 NH2 ARG A 161 36.812 -6.671 -21.054 1.00 0.00 N ATOM 0 H ARG A 161 32.631 -10.582 -16.607 1.00 0.00 H new ATOM 0 HA ARG A 161 35.399 -11.114 -17.537 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.578 -8.660 -17.613 1.00 0.00 H new ATOM 0 HB3 ARG A 161 35.287 -8.591 -17.994 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.997 -10.217 -19.835 1.00 0.00 H new ATOM 0 HG3 ARG A 161 33.318 -10.469 -19.398 1.00 0.00 H new ATOM 0 HD2 ARG A 161 33.497 -8.885 -21.302 1.00 0.00 H new ATOM 0 HD3 ARG A 161 32.794 -8.095 -19.904 1.00 0.00 H new ATOM 0 HE ARG A 161 34.651 -6.672 -19.778 1.00 0.00 H new ATOM 0 HH11 ARG A 161 35.389 -9.476 -21.843 1.00 0.00 H new ATOM 0 HH12 ARG A 161 36.939 -8.822 -22.382 1.00 0.00 H new ATOM 0 HH21 ARG A 161 36.664 -5.840 -20.482 1.00 0.00 H new ATOM 0 HH22 ARG A 161 37.661 -6.762 -21.611 1.00 0.00 H new ATOM 356 N LEU A 162 34.391 -9.372 -14.895 1.00 0.00 N ATOM 357 CA LEU A 162 34.813 -8.818 -13.610 1.00 0.00 C ATOM 358 C LEU A 162 34.740 -9.872 -12.502 1.00 0.00 C ATOM 359 O LEU A 162 35.472 -9.781 -11.518 1.00 0.00 O ATOM 360 CB LEU A 162 33.912 -7.625 -13.257 1.00 0.00 C ATOM 361 CG LEU A 162 33.910 -6.582 -14.389 1.00 0.00 C ATOM 362 CD1 LEU A 162 32.947 -5.450 -14.025 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.317 -6.009 -14.584 1.00 0.00 C ATOM 0 H LEU A 162 33.397 -9.251 -15.091 1.00 0.00 H new ATOM 0 HA LEU A 162 35.850 -8.491 -13.693 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.895 -7.973 -13.077 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.259 -7.163 -12.333 1.00 0.00 H new ATOM 0 HG LEU A 162 33.592 -7.060 -15.316 1.00 0.00 H new ATOM 0 HD11 LEU A 162 32.941 -4.707 -14.823 1.00 0.00 H new ATOM 0 HD12 LEU A 162 31.943 -5.854 -13.897 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.271 -4.981 -13.096 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.302 -5.273 -15.387 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.647 -5.532 -13.661 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.005 -6.814 -14.843 1.00 0.00 H new ATOM 375 N GLY A 163 33.855 -10.862 -12.654 1.00 0.00 N ATOM 376 CA GLY A 163 33.670 -11.904 -11.654 1.00 0.00 C ATOM 377 C GLY A 163 32.544 -11.510 -10.707 1.00 0.00 C ATOM 378 O GLY A 163 31.616 -10.811 -11.108 1.00 0.00 O ATOM 0 H GLY A 163 33.252 -10.959 -13.471 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.435 -12.851 -12.140 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.594 -12.053 -11.095 1.00 0.00 H new ATOM 382 N ASN A 164 32.628 -11.953 -9.446 1.00 0.00 N ATOM 383 CA ASN A 164 31.602 -11.663 -8.445 1.00 0.00 C ATOM 384 C ASN A 164 31.746 -10.231 -7.915 1.00 0.00 C ATOM 385 O ASN A 164 31.564 -9.993 -6.722 1.00 0.00 O ATOM 386 CB ASN A 164 31.723 -12.668 -7.291 1.00 0.00 C ATOM 387 CG ASN A 164 31.853 -14.099 -7.806 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.731 -14.708 -8.184 1.00 0.00 O flip ATOM 389 ND2 ASN A 164 32.953 -14.642 -7.859 1.00 0.00 N flip ATOM 0 H ASN A 164 33.403 -12.517 -9.097 1.00 0.00 H new ATOM 0 HA ASN A 164 30.620 -11.754 -8.909 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.591 -12.420 -6.681 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.847 -12.590 -6.646 1.00 0.00 H new ATOM 0 HD21 ASN A 164 33.786 -14.136 -7.558 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.033 -15.599 -8.204 1.00 0.00 H new ATOM 396 N ARG A 165 32.071 -9.275 -8.796 1.00 0.00 N ATOM 397 CA ARG A 165 32.239 -7.887 -8.400 1.00 0.00 C ATOM 398 C ARG A 165 30.904 -7.161 -8.496 1.00 0.00 C ATOM 399 O ARG A 165 30.740 -6.254 -9.316 1.00 0.00 O ATOM 400 CB ARG A 165 33.289 -7.218 -9.295 1.00 0.00 C ATOM 401 CG ARG A 165 34.692 -7.588 -8.814 1.00 0.00 C ATOM 402 CD ARG A 165 35.731 -6.793 -9.609 1.00 0.00 C ATOM 403 NE ARG A 165 37.039 -6.822 -8.942 1.00 0.00 N ATOM 404 CZ ARG A 165 37.364 -6.021 -7.908 1.00 0.00 C ATOM 405 NH1 ARG A 165 36.496 -5.105 -7.449 1.00 0.00 N ATOM 406 NH2 ARG A 165 38.566 -6.139 -7.331 1.00 0.00 N ATOM 0 H ARG A 165 32.221 -9.448 -9.790 1.00 0.00 H new ATOM 0 HA ARG A 165 32.585 -7.840 -7.367 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.154 -7.535 -10.329 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.161 -6.136 -9.274 1.00 0.00 H new ATOM 0 HG2 ARG A 165 34.791 -7.374 -7.750 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.861 -8.657 -8.941 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.821 -7.208 -10.613 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.398 -5.761 -9.719 1.00 0.00 H new ATOM 0 HE ARG A 165 37.739 -7.483 -9.279 1.00 0.00 H new ATOM 0 HH11 ARG A 165 35.578 -5.009 -7.884 1.00 0.00 H new ATOM 0 HH12 ARG A 165 36.754 -4.505 -6.666 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.231 -6.832 -7.674 1.00 0.00 H new ATOM 0 HH22 ARG A 165 38.817 -5.535 -6.548 1.00 0.00 H new ATOM 420 N TRP A 166 29.945 -7.547 -7.647 1.00 0.00 N ATOM 421 CA TRP A 166 28.647 -6.891 -7.625 1.00 0.00 C ATOM 422 C TRP A 166 28.831 -5.443 -7.200 1.00 0.00 C ATOM 423 O TRP A 166 27.998 -4.614 -7.492 1.00 0.00 O ATOM 424 CB TRP A 166 27.687 -7.599 -6.671 1.00 0.00 C ATOM 425 CG TRP A 166 27.961 -9.042 -6.465 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.538 -9.569 -5.381 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.687 -10.160 -7.348 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.660 -10.931 -5.502 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.142 -11.358 -6.713 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.100 -10.292 -8.626 1.00 0.00 C ATOM 431 CZ2 TRP A 166 28.022 -12.613 -7.310 1.00 0.00 C ATOM 432 CZ3 TRP A 166 26.974 -11.560 -9.233 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.439 -12.715 -8.577 1.00 0.00 C ATOM 0 H TRP A 166 30.049 -8.306 -6.973 1.00 0.00 H new ATOM 0 HA TRP A 166 28.214 -6.934 -8.625 1.00 0.00 H new ATOM 0 HB2 TRP A 166 27.722 -7.096 -5.705 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.672 -7.488 -7.052 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.865 -8.999 -4.524 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.074 -11.543 -4.799 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.744 -9.414 -9.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.376 -13.496 -6.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.517 -11.645 -10.208 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.346 -13.680 -9.052 1.00 0.00 H new ATOM 444 N ALA A 167 29.934 -5.143 -6.511 1.00 0.00 N ATOM 445 CA ALA A 167 30.226 -3.791 -6.089 1.00 0.00 C ATOM 446 C ALA A 167 30.300 -2.874 -7.313 1.00 0.00 C ATOM 447 O ALA A 167 29.827 -1.744 -7.264 1.00 0.00 O ATOM 448 CB ALA A 167 31.548 -3.778 -5.320 1.00 0.00 C ATOM 0 H ALA A 167 30.637 -5.829 -6.237 1.00 0.00 H new ATOM 0 HA ALA A 167 29.435 -3.426 -5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.773 -2.761 -5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.467 -4.424 -4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.348 -4.140 -5.966 1.00 0.00 H new ATOM 454 N GLU A 168 30.898 -3.365 -8.407 1.00 0.00 N ATOM 455 CA GLU A 168 31.057 -2.579 -9.626 1.00 0.00 C ATOM 456 C GLU A 168 29.784 -2.644 -10.471 1.00 0.00 C ATOM 457 O GLU A 168 29.327 -1.622 -10.979 1.00 0.00 O ATOM 458 CB GLU A 168 32.263 -3.102 -10.416 1.00 0.00 C ATOM 459 CG GLU A 168 33.557 -2.484 -9.867 1.00 0.00 C ATOM 460 CD GLU A 168 33.731 -2.776 -8.381 1.00 0.00 C ATOM 461 OE1 GLU A 168 34.166 -3.909 -8.072 1.00 0.00 O ATOM 462 OE2 GLU A 168 33.423 -1.859 -7.579 1.00 0.00 O ATOM 0 H GLU A 168 31.280 -4.309 -8.467 1.00 0.00 H new ATOM 0 HA GLU A 168 31.232 -1.536 -9.363 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.311 -4.189 -10.346 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.152 -2.855 -11.472 1.00 0.00 H new ATOM 0 HG2 GLU A 168 34.411 -2.877 -10.418 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.543 -1.406 -10.027 1.00 0.00 H new ATOM 469 N ILE A 169 29.209 -3.840 -10.624 1.00 0.00 N ATOM 470 CA ILE A 169 27.987 -4.006 -11.403 1.00 0.00 C ATOM 471 C ILE A 169 26.877 -3.152 -10.775 1.00 0.00 C ATOM 472 O ILE A 169 26.188 -2.408 -11.472 1.00 0.00 O ATOM 473 CB ILE A 169 27.602 -5.496 -11.448 1.00 0.00 C ATOM 474 CG1 ILE A 169 28.733 -6.298 -12.120 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.306 -5.672 -12.246 1.00 0.00 C ATOM 476 CD1 ILE A 169 28.452 -7.800 -12.018 1.00 0.00 C ATOM 0 H ILE A 169 29.572 -4.703 -10.219 1.00 0.00 H new ATOM 0 HA ILE A 169 28.139 -3.672 -12.429 1.00 0.00 H new ATOM 0 HB ILE A 169 27.451 -5.860 -10.432 1.00 0.00 H new ATOM 0 HG12 ILE A 169 28.821 -6.008 -13.167 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.685 -6.066 -11.643 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.037 -6.728 -12.275 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.505 -5.107 -11.769 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.452 -5.306 -13.262 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.259 -8.354 -12.497 1.00 0.00 H new ATOM 0 HD12 ILE A 169 28.387 -8.088 -10.969 1.00 0.00 H new ATOM 0 HD13 ILE A 169 27.510 -8.028 -12.516 1.00 0.00 H new ATOM 488 N ALA A 170 26.723 -3.261 -9.452 1.00 0.00 N ATOM 489 CA ALA A 170 25.738 -2.489 -8.705 1.00 0.00 C ATOM 490 C ALA A 170 25.952 -0.986 -8.930 1.00 0.00 C ATOM 491 O ALA A 170 24.984 -0.251 -9.079 1.00 0.00 O ATOM 492 CB ALA A 170 25.842 -2.833 -7.213 1.00 0.00 C ATOM 0 H ALA A 170 27.280 -3.889 -8.873 1.00 0.00 H new ATOM 0 HA ALA A 170 24.739 -2.744 -9.059 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.105 -2.256 -6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.653 -3.897 -7.071 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.842 -2.591 -6.853 1.00 0.00 H new ATOM 498 N LYS A 171 27.219 -0.532 -8.958 1.00 0.00 N ATOM 499 CA LYS A 171 27.530 0.881 -9.183 1.00 0.00 C ATOM 500 C LYS A 171 27.010 1.318 -10.554 1.00 0.00 C ATOM 501 O LYS A 171 26.401 2.378 -10.677 1.00 0.00 O ATOM 502 CB LYS A 171 29.048 1.108 -9.112 1.00 0.00 C ATOM 503 CG LYS A 171 29.492 1.368 -7.671 1.00 0.00 C ATOM 504 CD LYS A 171 31.013 1.589 -7.650 1.00 0.00 C ATOM 505 CE LYS A 171 31.583 1.244 -6.271 1.00 0.00 C ATOM 506 NZ LYS A 171 31.794 -0.210 -6.132 1.00 0.00 N ATOM 0 H LYS A 171 28.038 -1.126 -8.827 1.00 0.00 H new ATOM 0 HA LYS A 171 27.045 1.473 -8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.569 0.236 -9.506 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.323 1.955 -9.741 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.979 2.242 -7.270 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.225 0.523 -7.036 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.487 0.970 -8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 171 31.240 2.627 -7.895 1.00 0.00 H new ATOM 0 HE2 LYS A 171 32.528 1.767 -6.123 1.00 0.00 H new ATOM 0 HE3 LYS A 171 30.901 1.592 -5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.084 -0.427 -5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 30.909 -0.712 -6.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 32.538 -0.517 -6.791 1.00 0.00 H new ATOM 520 N LEU A 172 27.263 0.500 -11.583 1.00 0.00 N ATOM 521 CA LEU A 172 26.849 0.814 -12.945 1.00 0.00 C ATOM 522 C LEU A 172 25.322 0.862 -13.046 1.00 0.00 C ATOM 523 O LEU A 172 24.778 1.691 -13.774 1.00 0.00 O ATOM 524 CB LEU A 172 27.419 -0.237 -13.908 1.00 0.00 C ATOM 525 CG LEU A 172 28.946 -0.088 -14.018 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.547 -1.386 -14.563 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.293 1.066 -14.966 1.00 0.00 C ATOM 0 H LEU A 172 27.756 -0.388 -11.491 1.00 0.00 H new ATOM 0 HA LEU A 172 27.236 1.796 -13.218 1.00 0.00 H new ATOM 0 HB2 LEU A 172 27.169 -1.237 -13.555 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.964 -0.123 -14.892 1.00 0.00 H new ATOM 0 HG LEU A 172 29.355 0.122 -13.030 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.629 -1.281 -14.641 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.310 -2.208 -13.888 1.00 0.00 H new ATOM 0 HD13 LEU A 172 29.130 -1.594 -15.549 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.376 1.165 -15.038 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.881 0.862 -15.954 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.869 1.993 -14.581 1.00 0.00 H new ATOM 539 N LEU A 173 24.631 -0.024 -12.320 1.00 0.00 N ATOM 540 CA LEU A 173 23.174 -0.072 -12.348 1.00 0.00 C ATOM 541 C LEU A 173 22.607 1.039 -11.449 1.00 0.00 C ATOM 542 O LEU A 173 23.248 1.429 -10.479 1.00 0.00 O ATOM 543 CB LEU A 173 22.709 -1.456 -11.886 1.00 0.00 C ATOM 544 CG LEU A 173 23.109 -2.521 -12.923 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.936 -3.913 -12.315 1.00 0.00 C ATOM 546 CD2 LEU A 173 22.229 -2.401 -14.174 1.00 0.00 C ATOM 0 H LEU A 173 25.062 -0.716 -11.707 1.00 0.00 H new ATOM 0 HA LEU A 173 22.808 0.094 -13.361 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.153 -1.694 -10.919 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.628 -1.458 -11.749 1.00 0.00 H new ATOM 0 HG LEU A 173 24.151 -2.366 -13.205 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.219 -4.668 -13.048 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.571 -4.007 -11.434 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.894 -4.058 -12.028 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.522 -3.160 -14.899 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.184 -2.546 -13.899 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.354 -1.411 -14.613 1.00 0.00 H new ATOM 558 N PRO A 174 21.405 1.568 -11.777 1.00 0.00 N ATOM 559 CA PRO A 174 20.802 2.661 -11.035 1.00 0.00 C ATOM 560 C PRO A 174 20.312 2.211 -9.646 1.00 0.00 C ATOM 561 O PRO A 174 21.060 2.285 -8.675 1.00 0.00 O ATOM 562 CB PRO A 174 19.651 3.158 -11.923 1.00 0.00 C ATOM 563 CG PRO A 174 19.375 2.037 -12.930 1.00 0.00 C ATOM 564 CD PRO A 174 20.606 1.128 -12.909 1.00 0.00 C ATOM 0 HA PRO A 174 21.520 3.455 -10.829 1.00 0.00 H new ATOM 0 HB2 PRO A 174 18.764 3.373 -11.327 1.00 0.00 H new ATOM 0 HB3 PRO A 174 19.924 4.082 -12.433 1.00 0.00 H new ATOM 0 HG2 PRO A 174 18.477 1.482 -12.658 1.00 0.00 H new ATOM 0 HG3 PRO A 174 19.208 2.443 -13.928 1.00 0.00 H new ATOM 0 HD2 PRO A 174 20.318 0.082 -12.801 1.00 0.00 H new ATOM 0 HD3 PRO A 174 21.168 1.210 -13.839 1.00 0.00 H new ATOM 572 N GLY A 175 19.048 1.764 -9.549 1.00 0.00 N ATOM 573 CA GLY A 175 18.448 1.393 -8.272 1.00 0.00 C ATOM 574 C GLY A 175 18.670 -0.082 -7.958 1.00 0.00 C ATOM 575 O GLY A 175 17.705 -0.830 -7.811 1.00 0.00 O ATOM 0 H GLY A 175 18.425 1.653 -10.349 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.876 2.004 -7.477 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.379 1.604 -8.296 1.00 0.00 H new ATOM 579 N ARG A 176 19.939 -0.494 -7.846 1.00 0.00 N ATOM 580 CA ARG A 176 20.292 -1.874 -7.522 1.00 0.00 C ATOM 581 C ARG A 176 21.382 -1.876 -6.452 1.00 0.00 C ATOM 582 O ARG A 176 22.043 -0.860 -6.240 1.00 0.00 O ATOM 583 CB ARG A 176 20.769 -2.594 -8.788 1.00 0.00 C ATOM 584 CG ARG A 176 19.591 -2.808 -9.753 1.00 0.00 C ATOM 585 CD ARG A 176 19.401 -4.305 -10.018 1.00 0.00 C ATOM 586 NE ARG A 176 18.192 -4.554 -10.820 1.00 0.00 N ATOM 587 CZ ARG A 176 18.091 -4.239 -12.126 1.00 0.00 C ATOM 588 NH1 ARG A 176 19.128 -3.705 -12.776 1.00 0.00 N ATOM 589 NH2 ARG A 176 16.948 -4.457 -12.783 1.00 0.00 N ATOM 0 H ARG A 176 20.743 0.119 -7.977 1.00 0.00 H new ATOM 0 HA ARG A 176 19.420 -2.401 -7.135 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.547 -2.008 -9.277 1.00 0.00 H new ATOM 0 HB3 ARG A 176 21.211 -3.555 -8.524 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.680 -2.386 -9.328 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.778 -2.284 -10.691 1.00 0.00 H new ATOM 0 HD2 ARG A 176 20.274 -4.698 -10.539 1.00 0.00 H new ATOM 0 HD3 ARG A 176 19.328 -4.838 -9.070 1.00 0.00 H new ATOM 0 HE ARG A 176 17.389 -4.987 -10.363 1.00 0.00 H new ATOM 0 HH11 ARG A 176 20.005 -3.533 -12.284 1.00 0.00 H new ATOM 0 HH12 ARG A 176 19.044 -3.469 -13.765 1.00 0.00 H new ATOM 0 HH21 ARG A 176 16.149 -4.863 -12.296 1.00 0.00 H new ATOM 0 HH22 ARG A 176 16.874 -4.217 -13.772 1.00 0.00 H new ATOM 603 N THR A 177 21.564 -3.020 -5.775 1.00 0.00 N ATOM 604 CA THR A 177 22.556 -3.147 -4.713 1.00 0.00 C ATOM 605 C THR A 177 23.346 -4.445 -4.879 1.00 0.00 C ATOM 606 O THR A 177 22.941 -5.339 -5.624 1.00 0.00 O ATOM 607 CB THR A 177 21.852 -3.120 -3.348 1.00 0.00 C ATOM 608 OG1 THR A 177 20.849 -4.112 -3.311 1.00 0.00 O ATOM 609 CG2 THR A 177 21.219 -1.746 -3.110 1.00 0.00 C ATOM 0 H THR A 177 21.030 -3.871 -5.951 1.00 0.00 H new ATOM 0 HA THR A 177 23.253 -2.311 -4.771 1.00 0.00 H new ATOM 0 HB THR A 177 22.587 -3.315 -2.567 1.00 0.00 H new ATOM 0 HG1 THR A 177 20.403 -4.094 -2.439 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.722 -1.737 -2.140 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.994 -0.980 -3.128 1.00 0.00 H new ATOM 0 HG23 THR A 177 20.489 -1.541 -3.893 1.00 0.00 H new ATOM 617 N ASP A 178 24.479 -4.531 -4.171 1.00 0.00 N ATOM 618 CA ASP A 178 25.351 -5.696 -4.207 1.00 0.00 C ATOM 619 C ASP A 178 24.566 -6.952 -3.830 1.00 0.00 C ATOM 620 O ASP A 178 24.494 -7.898 -4.608 1.00 0.00 O ATOM 621 CB ASP A 178 26.513 -5.459 -3.228 1.00 0.00 C ATOM 622 CG ASP A 178 27.482 -6.640 -3.189 1.00 0.00 C ATOM 623 OD1 ASP A 178 27.037 -7.736 -2.783 1.00 0.00 O ATOM 624 OD2 ASP A 178 28.655 -6.421 -3.562 1.00 0.00 O ATOM 0 H ASP A 178 24.812 -3.788 -3.557 1.00 0.00 H new ATOM 0 HA ASP A 178 25.746 -5.843 -5.212 1.00 0.00 H new ATOM 0 HB2 ASP A 178 27.053 -4.557 -3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.115 -5.284 -2.229 1.00 0.00 H new ATOM 629 N ASN A 179 23.985 -6.950 -2.626 1.00 0.00 N ATOM 630 CA ASN A 179 23.237 -8.088 -2.109 1.00 0.00 C ATOM 631 C ASN A 179 22.100 -8.491 -3.056 1.00 0.00 C ATOM 632 O ASN A 179 21.857 -9.681 -3.249 1.00 0.00 O ATOM 633 CB ASN A 179 22.687 -7.735 -0.722 1.00 0.00 C ATOM 634 CG ASN A 179 21.874 -6.443 -0.761 1.00 0.00 C ATOM 635 OD1 ASN A 179 22.439 -5.353 -0.726 1.00 0.00 O ATOM 636 ND2 ASN A 179 20.549 -6.566 -0.834 1.00 0.00 N ATOM 0 H ASN A 179 24.023 -6.156 -1.986 1.00 0.00 H new ATOM 0 HA ASN A 179 23.908 -8.944 -2.031 1.00 0.00 H new ATOM 0 HB2 ASN A 179 22.062 -8.550 -0.358 1.00 0.00 H new ATOM 0 HB3 ASN A 179 23.512 -7.627 -0.018 1.00 0.00 H new ATOM 0 HD21 ASN A 179 19.960 -5.733 -0.863 1.00 0.00 H new ATOM 0 HD22 ASN A 179 20.124 -7.493 -0.861 1.00 0.00 H new ATOM 643 N ALA A 180 21.399 -7.509 -3.637 1.00 0.00 N ATOM 644 CA ALA A 180 20.276 -7.787 -4.523 1.00 0.00 C ATOM 645 C ALA A 180 20.735 -8.582 -5.745 1.00 0.00 C ATOM 646 O ALA A 180 20.170 -9.634 -6.048 1.00 0.00 O ATOM 647 CB ALA A 180 19.627 -6.471 -4.953 1.00 0.00 C ATOM 0 H ALA A 180 21.595 -6.517 -3.505 1.00 0.00 H new ATOM 0 HA ALA A 180 19.543 -8.390 -3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.787 -6.679 -5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 180 19.271 -5.936 -4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 180 20.360 -5.858 -5.478 1.00 0.00 H new ATOM 653 N ILE A 181 21.753 -8.080 -6.451 1.00 0.00 N ATOM 654 CA ILE A 181 22.246 -8.740 -7.653 1.00 0.00 C ATOM 655 C ILE A 181 22.902 -10.071 -7.284 1.00 0.00 C ATOM 656 O ILE A 181 22.716 -11.065 -7.980 1.00 0.00 O ATOM 657 CB ILE A 181 23.242 -7.834 -8.388 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.585 -6.487 -8.730 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.676 -8.527 -9.684 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.665 -5.429 -8.953 1.00 0.00 C ATOM 0 H ILE A 181 22.247 -7.221 -6.208 1.00 0.00 H new ATOM 0 HA ILE A 181 21.406 -8.936 -8.319 1.00 0.00 H new ATOM 0 HB ILE A 181 24.105 -7.653 -7.747 1.00 0.00 H new ATOM 0 HG12 ILE A 181 21.971 -6.588 -9.625 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.922 -6.179 -7.921 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.385 -7.892 -10.216 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.149 -9.480 -9.446 1.00 0.00 H new ATOM 0 HG23 ILE A 181 22.803 -8.702 -10.313 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.196 -4.475 -9.195 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.261 -5.320 -8.047 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.310 -5.735 -9.776 1.00 0.00 H new ATOM 672 N LYS A 182 23.671 -10.084 -6.190 1.00 0.00 N ATOM 673 CA LYS A 182 24.347 -11.286 -5.728 1.00 0.00 C ATOM 674 C LYS A 182 23.327 -12.403 -5.518 1.00 0.00 C ATOM 675 O LYS A 182 23.529 -13.524 -5.986 1.00 0.00 O ATOM 676 CB LYS A 182 25.096 -10.971 -4.428 1.00 0.00 C ATOM 677 CG LYS A 182 25.870 -12.202 -3.952 1.00 0.00 C ATOM 678 CD LYS A 182 26.685 -11.839 -2.707 1.00 0.00 C ATOM 679 CE LYS A 182 27.568 -13.021 -2.292 1.00 0.00 C ATOM 680 NZ LYS A 182 26.755 -14.177 -1.871 1.00 0.00 N ATOM 0 H LYS A 182 23.837 -9.263 -5.608 1.00 0.00 H new ATOM 0 HA LYS A 182 25.067 -11.622 -6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.783 -10.140 -4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.389 -10.657 -3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.179 -13.014 -3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.531 -12.558 -4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.305 -10.966 -2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 182 26.015 -11.571 -1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 182 28.209 -13.309 -3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 182 28.224 -12.718 -1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 27.370 -14.895 -1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 26.044 -13.867 -1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 26.276 -14.585 -2.699 1.00 0.00 H new ATOM 694 N ASN A 183 22.232 -12.093 -4.813 1.00 0.00 N ATOM 695 CA ASN A 183 21.183 -13.064 -4.549 1.00 0.00 C ATOM 696 C ASN A 183 20.593 -13.562 -5.867 1.00 0.00 C ATOM 697 O ASN A 183 20.524 -14.767 -6.096 1.00 0.00 O ATOM 698 CB ASN A 183 20.099 -12.420 -3.681 1.00 0.00 C ATOM 699 CG ASN A 183 18.924 -13.373 -3.484 1.00 0.00 C ATOM 700 OD1 ASN A 183 17.864 -13.182 -4.071 1.00 0.00 O ATOM 701 ND2 ASN A 183 19.117 -14.400 -2.657 1.00 0.00 N ATOM 0 H ASN A 183 22.056 -11.170 -4.417 1.00 0.00 H new ATOM 0 HA ASN A 183 21.600 -13.918 -4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.517 -12.147 -2.712 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.751 -11.499 -4.149 1.00 0.00 H new ATOM 0 HD21 ASN A 183 18.365 -15.069 -2.490 1.00 0.00 H new ATOM 0 HD22 ASN A 183 20.017 -14.518 -2.191 1.00 0.00 H new ATOM 708 N HIS A 184 20.169 -12.626 -6.730 1.00 0.00 N ATOM 709 CA HIS A 184 19.580 -12.965 -8.020 1.00 0.00 C ATOM 710 C HIS A 184 20.483 -13.928 -8.784 1.00 0.00 C ATOM 711 O HIS A 184 20.036 -14.988 -9.213 1.00 0.00 O ATOM 712 CB HIS A 184 19.359 -11.683 -8.831 1.00 0.00 C ATOM 713 CG HIS A 184 19.401 -11.921 -10.322 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.602 -12.864 -10.964 1.00 0.00 N ATOM 715 CD2 HIS A 184 20.155 -11.362 -11.323 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.916 -12.810 -12.275 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.860 -11.913 -12.558 1.00 0.00 N ATOM 0 H HIS A 184 20.227 -11.624 -6.549 1.00 0.00 H new ATOM 0 HA HIS A 184 18.621 -13.457 -7.857 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.395 -11.251 -8.563 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.122 -10.952 -8.562 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.890 -10.586 -11.166 1.00 0.00 H new ATOM 0 HE1 HIS A 184 18.448 -13.433 -13.023 1.00 0.00 H new ATOM 0 HE2 HIS A 184 20.267 -11.687 -13.466 1.00 0.00 H new ATOM 725 N TRP A 185 21.751 -13.557 -8.963 1.00 0.00 N ATOM 726 CA TRP A 185 22.683 -14.383 -9.700 1.00 0.00 C ATOM 727 C TRP A 185 22.759 -15.770 -9.079 1.00 0.00 C ATOM 728 O TRP A 185 22.574 -16.759 -9.773 1.00 0.00 O ATOM 729 CB TRP A 185 24.061 -13.729 -9.720 1.00 0.00 C ATOM 730 CG TRP A 185 25.067 -14.472 -10.542 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.842 -15.479 -10.108 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.412 -14.301 -11.947 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.650 -15.950 -11.113 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.426 -15.253 -12.285 1.00 0.00 C ATOM 735 CE3 TRP A 185 24.973 -13.444 -12.977 1.00 0.00 C ATOM 736 CZ2 TRP A 185 26.973 -15.343 -13.567 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.523 -13.529 -14.271 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.522 -14.475 -14.565 1.00 0.00 C ATOM 0 H TRP A 185 22.148 -12.688 -8.604 1.00 0.00 H new ATOM 0 HA TRP A 185 22.332 -14.483 -10.727 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.966 -12.714 -10.107 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.430 -13.647 -8.697 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.831 -15.868 -9.100 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.323 -16.710 -11.009 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.205 -12.713 -12.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.736 -16.075 -13.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.174 -12.861 -15.045 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.939 -14.530 -15.560 1.00 0.00 H new ATOM 749 N ASN A 186 23.034 -15.840 -7.769 1.00 0.00 N ATOM 750 CA ASN A 186 23.168 -17.114 -7.071 1.00 0.00 C ATOM 751 C ASN A 186 21.790 -17.692 -6.729 1.00 0.00 C ATOM 752 O ASN A 186 21.508 -17.984 -5.568 1.00 0.00 O ATOM 753 CB ASN A 186 24.008 -16.912 -5.803 1.00 0.00 C ATOM 754 CG ASN A 186 25.456 -16.580 -6.154 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.282 -17.476 -6.298 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.764 -15.290 -6.289 1.00 0.00 N ATOM 0 H ASN A 186 23.167 -15.022 -7.174 1.00 0.00 H new ATOM 0 HA ASN A 186 23.673 -17.829 -7.721 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.581 -16.107 -5.204 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.976 -17.815 -5.193 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.718 -15.015 -6.521 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.045 -14.578 -6.160 1.00 0.00 H new ATOM 763 N SER A 187 20.941 -17.867 -7.751 1.00 0.00 N ATOM 764 CA SER A 187 19.611 -18.446 -7.587 1.00 0.00 C ATOM 765 C SER A 187 18.980 -18.649 -8.965 1.00 0.00 C ATOM 766 O SER A 187 18.503 -19.738 -9.276 1.00 0.00 O ATOM 767 CB SER A 187 18.727 -17.544 -6.710 1.00 0.00 C ATOM 768 OG SER A 187 18.588 -16.273 -7.304 1.00 0.00 O ATOM 0 H SER A 187 21.162 -17.609 -8.713 1.00 0.00 H new ATOM 0 HA SER A 187 19.698 -19.410 -7.085 1.00 0.00 H new ATOM 0 HB2 SER A 187 17.746 -18.001 -6.578 1.00 0.00 H new ATOM 0 HB3 SER A 187 19.168 -17.444 -5.718 1.00 0.00 H new ATOM 0 HG SER A 187 19.262 -15.664 -6.935 1.00 0.00 H new ATOM 774 N THR A 188 18.985 -17.593 -9.787 1.00 0.00 N ATOM 775 CA THR A 188 18.423 -17.647 -11.126 1.00 0.00 C ATOM 776 C THR A 188 19.412 -18.318 -12.081 1.00 0.00 C ATOM 777 O THR A 188 19.014 -19.153 -12.892 1.00 0.00 O ATOM 778 CB THR A 188 18.099 -16.221 -11.595 1.00 0.00 C ATOM 779 OG1 THR A 188 17.366 -15.543 -10.594 1.00 0.00 O ATOM 780 CG2 THR A 188 17.270 -16.274 -12.880 1.00 0.00 C ATOM 0 H THR A 188 19.378 -16.686 -9.537 1.00 0.00 H new ATOM 0 HA THR A 188 17.505 -18.235 -11.117 1.00 0.00 H new ATOM 0 HB THR A 188 19.032 -15.690 -11.786 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.647 -14.605 -10.562 1.00 0.00 H new ATOM 0 HG21 THR A 188 17.043 -15.260 -13.209 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.835 -16.789 -13.657 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.340 -16.811 -12.691 1.00 0.00 H new ATOM 788 N MET A 189 20.700 -17.946 -11.984 1.00 0.00 N ATOM 789 CA MET A 189 21.742 -18.493 -12.851 1.00 0.00 C ATOM 790 C MET A 189 22.860 -19.100 -11.995 1.00 0.00 C ATOM 791 O MET A 189 22.732 -19.157 -10.778 1.00 0.00 O ATOM 792 CB MET A 189 22.283 -17.377 -13.753 1.00 0.00 C ATOM 793 CG MET A 189 21.123 -16.703 -14.498 1.00 0.00 C ATOM 794 SD MET A 189 21.604 -15.910 -16.053 1.00 0.00 S ATOM 795 CE MET A 189 22.805 -14.724 -15.410 1.00 0.00 C ATOM 0 H MET A 189 21.040 -17.263 -11.307 1.00 0.00 H new ATOM 0 HA MET A 189 21.330 -19.282 -13.480 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.819 -16.641 -13.154 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.996 -17.788 -14.467 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.356 -17.449 -14.705 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.672 -15.955 -13.846 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.729 -13.791 -15.968 1.00 0.00 H new ATOM 0 HE2 MET A 189 22.601 -14.534 -14.356 1.00 0.00 H new ATOM 0 HE3 MET A 189 23.811 -15.130 -15.517 1.00 0.00 H new ATOM 805 N ARG A 190 23.954 -19.550 -12.648 1.00 0.00 N ATOM 806 CA ARG A 190 25.115 -20.147 -11.969 1.00 0.00 C ATOM 807 C ARG A 190 25.967 -20.899 -13.002 1.00 0.00 C ATOM 808 O ARG A 190 25.457 -21.308 -14.045 1.00 0.00 O ATOM 809 CB ARG A 190 24.644 -21.095 -10.838 1.00 0.00 C ATOM 810 CG ARG A 190 25.774 -22.029 -10.385 1.00 0.00 C ATOM 811 CD ARG A 190 25.343 -22.759 -9.110 1.00 0.00 C ATOM 812 NE ARG A 190 26.412 -23.639 -8.621 1.00 0.00 N ATOM 813 CZ ARG A 190 26.312 -24.353 -7.485 1.00 0.00 C ATOM 814 NH1 ARG A 190 25.195 -24.290 -6.746 1.00 0.00 N ATOM 815 NH2 ARG A 190 27.331 -25.128 -7.091 1.00 0.00 N ATOM 0 H ARG A 190 24.053 -19.507 -13.662 1.00 0.00 H new ATOM 0 HA ARG A 190 25.721 -19.363 -11.514 1.00 0.00 H new ATOM 0 HB2 ARG A 190 24.294 -20.507 -9.990 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.798 -21.687 -11.186 1.00 0.00 H new ATOM 0 HG2 ARG A 190 26.004 -22.749 -11.170 1.00 0.00 H new ATOM 0 HG3 ARG A 190 26.683 -21.457 -10.201 1.00 0.00 H new ATOM 0 HD2 ARG A 190 25.085 -22.032 -8.340 1.00 0.00 H new ATOM 0 HD3 ARG A 190 24.446 -23.346 -9.308 1.00 0.00 H new ATOM 0 HE ARG A 190 27.270 -23.712 -9.168 1.00 0.00 H new ATOM 0 HH11 ARG A 190 24.419 -23.700 -7.045 1.00 0.00 H new ATOM 0 HH12 ARG A 190 25.122 -24.832 -5.885 1.00 0.00 H new ATOM 0 HH21 ARG A 190 28.182 -25.176 -7.652 1.00 0.00 H new ATOM 0 HH22 ARG A 190 27.256 -25.670 -6.230 1.00 0.00 H new