USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=8 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= 0.437 K(o=1.7,f=-3.6) USER MOD Set 1.2: A 188 THR OG1 : rot 138:sc= 1.3 USER MOD Set 2.1: A 159 HIS : no HD1:sc= -0.19 K(o=0.036,f=-2.8) USER MOD Set 2.2: A 164 ASN : amide:sc= 0.226 X(o=0.036,f=-0.32) USER MOD Single : A 148 THR OG1 : rot -137:sc= 0.349 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0883) USER MOD Single : A 171 LYS NZ :NH3+ 166:sc= 1.28 (180deg=0.974) USER MOD Single : A 177 THR OG1 : rot -56:sc= 1.25 USER MOD Single : A 179 ASN : amide:sc= -0.071 X(o=-0.071,f=0) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 ASN : amide:sc= 1.18 K(o=1.2,f=-5.3!) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl 173:sc= -0.254 (180deg=-0.343) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.737 -10.802 -12.881 1.00 0.00 N ATOM 89 CA TRP A 147 14.631 -9.943 -13.639 1.00 0.00 C ATOM 90 C TRP A 147 14.247 -9.976 -15.117 1.00 0.00 C ATOM 91 O TRP A 147 13.713 -10.973 -15.602 1.00 0.00 O ATOM 92 CB TRP A 147 16.075 -10.410 -13.446 1.00 0.00 C ATOM 93 CG TRP A 147 16.759 -9.832 -12.247 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.592 -10.234 -10.976 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.725 -8.740 -12.183 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.373 -9.493 -10.119 1.00 0.00 N ATOM 97 CE2 TRP A 147 18.103 -8.548 -10.816 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.326 -7.888 -13.137 1.00 0.00 C ATOM 99 CZ2 TRP A 147 19.024 -7.574 -10.423 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.255 -6.900 -12.744 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.604 -6.747 -11.393 1.00 0.00 C ATOM 0 HA TRP A 147 14.545 -8.917 -13.281 1.00 0.00 H new ATOM 0 HB2 TRP A 147 16.084 -11.497 -13.365 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.649 -10.152 -14.336 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.933 -11.032 -10.668 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.409 -9.623 -9.108 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.071 -7.994 -14.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.286 -7.460 -9.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.701 -6.257 -13.489 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.319 -5.992 -11.102 1.00 0.00 H new ATOM 112 N THR A 148 14.520 -8.878 -15.828 1.00 0.00 N ATOM 113 CA THR A 148 14.207 -8.773 -17.242 1.00 0.00 C ATOM 114 C THR A 148 15.354 -9.359 -18.064 1.00 0.00 C ATOM 115 O THR A 148 16.519 -9.237 -17.686 1.00 0.00 O ATOM 116 CB THR A 148 13.983 -7.300 -17.599 1.00 0.00 C ATOM 117 OG1 THR A 148 15.125 -6.556 -17.237 1.00 0.00 O ATOM 118 CG2 THR A 148 12.762 -6.762 -16.848 1.00 0.00 C ATOM 0 H THR A 148 14.961 -8.046 -15.436 1.00 0.00 H new ATOM 0 HA THR A 148 13.299 -9.333 -17.467 1.00 0.00 H new ATOM 0 HB THR A 148 13.810 -7.210 -18.671 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.848 -5.718 -16.812 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.608 -5.714 -17.106 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.880 -7.338 -17.128 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.927 -6.850 -15.774 1.00 0.00 H new ATOM 126 N GLU A 149 15.019 -9.992 -19.194 1.00 0.00 N ATOM 127 CA GLU A 149 16.012 -10.587 -20.077 1.00 0.00 C ATOM 128 C GLU A 149 17.033 -9.528 -20.502 1.00 0.00 C ATOM 129 O GLU A 149 18.230 -9.808 -20.583 1.00 0.00 O ATOM 130 CB GLU A 149 15.297 -11.174 -21.300 1.00 0.00 C ATOM 131 CG GLU A 149 16.295 -11.934 -22.178 1.00 0.00 C ATOM 132 CD GLU A 149 15.603 -12.505 -23.409 1.00 0.00 C ATOM 133 OE1 GLU A 149 15.048 -13.617 -23.283 1.00 0.00 O ATOM 134 OE2 GLU A 149 15.642 -11.816 -24.451 1.00 0.00 O ATOM 0 H GLU A 149 14.057 -10.103 -19.515 1.00 0.00 H new ATOM 0 HA GLU A 149 16.546 -11.383 -19.557 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.500 -11.844 -20.978 1.00 0.00 H new ATOM 0 HB3 GLU A 149 14.829 -10.375 -21.875 1.00 0.00 H new ATOM 0 HG2 GLU A 149 17.100 -11.266 -22.484 1.00 0.00 H new ATOM 0 HG3 GLU A 149 16.751 -12.741 -21.604 1.00 0.00 H new ATOM 141 N GLU A 150 16.548 -8.310 -20.777 1.00 0.00 N ATOM 142 CA GLU A 150 17.393 -7.215 -21.225 1.00 0.00 C ATOM 143 C GLU A 150 18.448 -6.861 -20.171 1.00 0.00 C ATOM 144 O GLU A 150 19.527 -6.391 -20.526 1.00 0.00 O ATOM 145 CB GLU A 150 16.514 -6.001 -21.543 1.00 0.00 C ATOM 146 CG GLU A 150 17.289 -5.035 -22.441 1.00 0.00 C ATOM 147 CD GLU A 150 16.452 -3.817 -22.815 1.00 0.00 C ATOM 148 OE1 GLU A 150 15.300 -3.743 -22.337 1.00 0.00 O ATOM 149 OE2 GLU A 150 16.989 -2.983 -23.576 1.00 0.00 O ATOM 0 H GLU A 150 15.561 -8.065 -20.693 1.00 0.00 H new ATOM 0 HA GLU A 150 17.926 -7.523 -22.125 1.00 0.00 H new ATOM 0 HB2 GLU A 150 15.598 -6.321 -22.040 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.218 -5.500 -20.621 1.00 0.00 H new ATOM 0 HG2 GLU A 150 18.195 -4.710 -21.930 1.00 0.00 H new ATOM 0 HG3 GLU A 150 17.603 -5.553 -23.347 1.00 0.00 H new ATOM 156 N GLU A 151 18.142 -7.084 -18.886 1.00 0.00 N ATOM 157 CA GLU A 151 19.080 -6.793 -17.807 1.00 0.00 C ATOM 158 C GLU A 151 19.974 -8.009 -17.553 1.00 0.00 C ATOM 159 O GLU A 151 21.150 -7.855 -17.227 1.00 0.00 O ATOM 160 CB GLU A 151 18.309 -6.423 -16.540 1.00 0.00 C ATOM 161 CG GLU A 151 17.696 -5.027 -16.687 1.00 0.00 C ATOM 162 CD GLU A 151 16.816 -4.694 -15.487 1.00 0.00 C ATOM 163 OE1 GLU A 151 17.288 -4.923 -14.354 1.00 0.00 O ATOM 164 OE2 GLU A 151 15.683 -4.214 -15.719 1.00 0.00 O ATOM 0 H GLU A 151 17.249 -7.466 -18.574 1.00 0.00 H new ATOM 0 HA GLU A 151 19.711 -5.951 -18.093 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.524 -7.156 -16.355 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.976 -6.447 -15.679 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.489 -4.285 -16.780 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.105 -4.979 -17.602 1.00 0.00 H new ATOM 171 N ASP A 152 19.414 -9.216 -17.700 1.00 0.00 N ATOM 172 CA ASP A 152 20.158 -10.452 -17.480 1.00 0.00 C ATOM 173 C ASP A 152 21.438 -10.464 -18.317 1.00 0.00 C ATOM 174 O ASP A 152 22.506 -10.813 -17.812 1.00 0.00 O ATOM 175 CB ASP A 152 19.270 -11.656 -17.830 1.00 0.00 C ATOM 176 CG ASP A 152 19.089 -12.571 -16.625 1.00 0.00 C ATOM 177 OD1 ASP A 152 20.119 -13.109 -16.164 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.925 -12.717 -16.189 1.00 0.00 O ATOM 0 H ASP A 152 18.441 -9.358 -17.972 1.00 0.00 H new ATOM 0 HA ASP A 152 20.443 -10.515 -16.430 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.297 -11.306 -18.175 1.00 0.00 H new ATOM 0 HB3 ASP A 152 19.717 -12.215 -18.652 1.00 0.00 H new ATOM 183 N ARG A 153 21.334 -10.081 -19.598 1.00 0.00 N ATOM 184 CA ARG A 153 22.490 -10.059 -20.489 1.00 0.00 C ATOM 185 C ARG A 153 23.573 -9.114 -19.948 1.00 0.00 C ATOM 186 O ARG A 153 24.760 -9.363 -20.153 1.00 0.00 O ATOM 187 CB ARG A 153 22.061 -9.656 -21.911 1.00 0.00 C ATOM 188 CG ARG A 153 21.269 -8.345 -21.889 1.00 0.00 C ATOM 189 CD ARG A 153 21.084 -7.825 -23.315 1.00 0.00 C ATOM 190 NE ARG A 153 20.431 -6.508 -23.306 1.00 0.00 N ATOM 191 CZ ARG A 153 20.264 -5.763 -24.415 1.00 0.00 C ATOM 192 NH1 ARG A 153 20.624 -6.248 -25.612 1.00 0.00 N ATOM 193 NH2 ARG A 153 19.735 -4.535 -24.325 1.00 0.00 N ATOM 0 H ARG A 153 20.461 -9.784 -20.034 1.00 0.00 H new ATOM 0 HA ARG A 153 22.915 -11.062 -20.534 1.00 0.00 H new ATOM 0 HB2 ARG A 153 22.942 -9.544 -22.543 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.452 -10.447 -22.350 1.00 0.00 H new ATOM 0 HG2 ARG A 153 20.297 -8.505 -21.422 1.00 0.00 H new ATOM 0 HG3 ARG A 153 21.794 -7.603 -21.287 1.00 0.00 H new ATOM 0 HD2 ARG A 153 22.053 -7.753 -23.810 1.00 0.00 H new ATOM 0 HD3 ARG A 153 20.484 -8.530 -23.890 1.00 0.00 H new ATOM 0 HE ARG A 153 20.088 -6.141 -22.418 1.00 0.00 H new ATOM 0 HH11 ARG A 153 21.025 -7.183 -25.684 1.00 0.00 H new ATOM 0 HH12 ARG A 153 20.497 -5.682 -26.451 1.00 0.00 H new ATOM 0 HH21 ARG A 153 19.459 -4.164 -23.416 1.00 0.00 H new ATOM 0 HH22 ARG A 153 19.609 -3.971 -25.166 1.00 0.00 H new ATOM 207 N ILE A 154 23.172 -8.035 -19.257 1.00 0.00 N ATOM 208 CA ILE A 154 24.125 -7.080 -18.704 1.00 0.00 C ATOM 209 C ILE A 154 24.872 -7.730 -17.546 1.00 0.00 C ATOM 210 O ILE A 154 26.093 -7.630 -17.466 1.00 0.00 O ATOM 211 CB ILE A 154 23.401 -5.804 -18.234 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.518 -5.229 -19.359 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.434 -4.758 -17.795 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.326 -5.006 -20.644 1.00 0.00 C ATOM 0 H ILE A 154 22.195 -7.809 -19.072 1.00 0.00 H new ATOM 0 HA ILE A 154 24.839 -6.795 -19.477 1.00 0.00 H new ATOM 0 HB ILE A 154 22.759 -6.059 -17.391 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.692 -5.911 -19.560 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.080 -4.285 -19.034 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.920 -3.856 -17.463 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.031 -5.158 -16.976 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.086 -4.516 -18.634 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.674 -4.600 -21.418 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.136 -4.304 -20.447 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.742 -5.955 -20.981 1.00 0.00 H new ATOM 226 N ILE A 155 24.137 -8.402 -16.649 1.00 0.00 N ATOM 227 CA ILE A 155 24.745 -9.074 -15.509 1.00 0.00 C ATOM 228 C ILE A 155 25.737 -10.117 -16.012 1.00 0.00 C ATOM 229 O ILE A 155 26.861 -10.177 -15.534 1.00 0.00 O ATOM 230 CB ILE A 155 23.663 -9.735 -14.640 1.00 0.00 C ATOM 231 CG1 ILE A 155 22.739 -8.664 -14.044 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.331 -10.522 -13.497 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.419 -9.304 -13.611 1.00 0.00 C ATOM 0 H ILE A 155 23.122 -8.490 -16.697 1.00 0.00 H new ATOM 0 HA ILE A 155 25.272 -8.343 -14.896 1.00 0.00 H new ATOM 0 HB ILE A 155 23.075 -10.412 -15.260 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.221 -8.189 -13.190 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.551 -7.882 -14.780 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.564 -10.991 -12.881 1.00 0.00 H new ATOM 0 HG22 ILE A 155 24.980 -11.291 -13.916 1.00 0.00 H new ATOM 0 HG23 ILE A 155 24.923 -9.842 -12.884 1.00 0.00 H new ATOM 0 HD11 ILE A 155 20.766 -8.541 -13.188 1.00 0.00 H new ATOM 0 HD12 ILE A 155 20.934 -9.758 -14.475 1.00 0.00 H new ATOM 0 HD13 ILE A 155 21.615 -10.070 -12.860 1.00 0.00 H new ATOM 245 N TYR A 156 25.313 -10.938 -16.979 1.00 0.00 N ATOM 246 CA TYR A 156 26.161 -11.981 -17.532 1.00 0.00 C ATOM 247 C TYR A 156 27.427 -11.380 -18.140 1.00 0.00 C ATOM 248 O TYR A 156 28.527 -11.817 -17.821 1.00 0.00 O ATOM 249 CB TYR A 156 25.381 -12.771 -18.585 1.00 0.00 C ATOM 250 CG TYR A 156 26.205 -13.869 -19.226 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.350 -15.109 -18.578 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.841 -13.644 -20.461 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.128 -16.122 -19.165 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.619 -14.658 -21.046 1.00 0.00 C ATOM 255 CZ TYR A 156 27.763 -15.896 -20.398 1.00 0.00 C ATOM 256 OH TYR A 156 28.522 -16.877 -20.965 1.00 0.00 O ATOM 0 H TYR A 156 24.381 -10.894 -17.392 1.00 0.00 H new ATOM 0 HA TYR A 156 26.461 -12.656 -16.731 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.497 -13.210 -18.122 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.030 -12.088 -19.359 1.00 0.00 H new ATOM 0 HD1 TYR A 156 25.864 -15.283 -17.630 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.731 -12.692 -20.959 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.238 -17.075 -18.668 1.00 0.00 H new ATOM 0 HE2 TYR A 156 28.106 -14.485 -21.994 1.00 0.00 H new ATOM 0 HH TYR A 156 28.888 -16.557 -21.816 1.00 0.00 H new ATOM 266 N GLN A 157 27.271 -10.385 -19.020 1.00 0.00 N ATOM 267 CA GLN A 157 28.404 -9.756 -19.687 1.00 0.00 C ATOM 268 C GLN A 157 29.366 -9.155 -18.658 1.00 0.00 C ATOM 269 O GLN A 157 30.560 -9.456 -18.671 1.00 0.00 O ATOM 270 CB GLN A 157 27.887 -8.678 -20.647 1.00 0.00 C ATOM 271 CG GLN A 157 29.060 -8.051 -21.409 1.00 0.00 C ATOM 272 CD GLN A 157 28.563 -7.018 -22.415 1.00 0.00 C ATOM 273 OE1 GLN A 157 28.549 -5.825 -22.126 1.00 0.00 O ATOM 274 NE2 GLN A 157 28.156 -7.478 -23.598 1.00 0.00 N ATOM 0 H GLN A 157 26.364 -10.000 -19.284 1.00 0.00 H new ATOM 0 HA GLN A 157 28.954 -10.506 -20.256 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.178 -9.115 -21.350 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.352 -7.909 -20.090 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.746 -7.579 -20.705 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.620 -8.829 -21.927 1.00 0.00 H new ATOM 0 HE21 GLN A 157 28.186 -8.479 -23.794 1.00 0.00 H new ATOM 0 HE22 GLN A 157 27.815 -6.829 -24.307 1.00 0.00 H new ATOM 283 N ALA A 158 28.844 -8.299 -17.775 1.00 0.00 N ATOM 284 CA ALA A 158 29.653 -7.631 -16.767 1.00 0.00 C ATOM 285 C ALA A 158 30.347 -8.653 -15.866 1.00 0.00 C ATOM 286 O ALA A 158 31.540 -8.542 -15.613 1.00 0.00 O ATOM 287 CB ALA A 158 28.762 -6.704 -15.940 1.00 0.00 C ATOM 0 H ALA A 158 27.854 -8.055 -17.743 1.00 0.00 H new ATOM 0 HA ALA A 158 30.426 -7.043 -17.261 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.364 -6.201 -15.183 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.305 -5.961 -16.593 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.981 -7.289 -15.453 1.00 0.00 H new ATOM 293 N HIS A 159 29.597 -9.644 -15.381 1.00 0.00 N ATOM 294 CA HIS A 159 30.143 -10.663 -14.498 1.00 0.00 C ATOM 295 C HIS A 159 31.221 -11.473 -15.217 1.00 0.00 C ATOM 296 O HIS A 159 32.245 -11.793 -14.631 1.00 0.00 O ATOM 297 CB HIS A 159 29.017 -11.578 -14.016 1.00 0.00 C ATOM 298 CG HIS A 159 29.516 -12.649 -13.088 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.067 -13.840 -13.543 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.576 -12.733 -11.723 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.415 -14.547 -12.453 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.142 -13.927 -11.306 1.00 0.00 N ATOM 0 H HIS A 159 28.605 -9.758 -15.589 1.00 0.00 H new ATOM 0 HA HIS A 159 30.602 -10.179 -13.636 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.259 -10.982 -13.507 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.534 -12.041 -14.876 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.225 -11.962 -11.053 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.872 -15.524 -12.503 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.309 -14.252 -10.354 1.00 0.00 H new ATOM 310 N LYS A 160 30.987 -11.812 -16.483 1.00 0.00 N ATOM 311 CA LYS A 160 31.937 -12.596 -17.254 1.00 0.00 C ATOM 312 C LYS A 160 33.234 -11.809 -17.456 1.00 0.00 C ATOM 313 O LYS A 160 34.318 -12.390 -17.445 1.00 0.00 O ATOM 314 CB LYS A 160 31.304 -12.969 -18.601 1.00 0.00 C ATOM 315 CG LYS A 160 32.263 -13.848 -19.409 1.00 0.00 C ATOM 316 CD LYS A 160 31.553 -14.347 -20.673 1.00 0.00 C ATOM 317 CE LYS A 160 32.552 -15.060 -21.591 1.00 0.00 C ATOM 318 NZ LYS A 160 33.094 -16.274 -20.955 1.00 0.00 N ATOM 0 H LYS A 160 30.143 -11.553 -16.994 1.00 0.00 H new ATOM 0 HA LYS A 160 32.184 -13.510 -16.714 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.365 -13.498 -18.436 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.066 -12.065 -19.162 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.154 -13.281 -19.679 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.594 -14.694 -18.806 1.00 0.00 H new ATOM 0 HD2 LYS A 160 30.746 -15.028 -20.402 1.00 0.00 H new ATOM 0 HD3 LYS A 160 31.098 -13.508 -21.199 1.00 0.00 H new ATOM 0 HE2 LYS A 160 32.062 -15.326 -22.528 1.00 0.00 H new ATOM 0 HE3 LYS A 160 33.368 -14.382 -21.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 33.646 -16.814 -21.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 33.708 -16.005 -20.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 32.311 -16.861 -20.604 1.00 0.00 H new ATOM 332 N ARG A 161 33.121 -10.490 -17.644 1.00 0.00 N ATOM 333 CA ARG A 161 34.279 -9.640 -17.869 1.00 0.00 C ATOM 334 C ARG A 161 35.044 -9.409 -16.561 1.00 0.00 C ATOM 335 O ARG A 161 36.251 -9.635 -16.503 1.00 0.00 O ATOM 336 CB ARG A 161 33.805 -8.308 -18.472 1.00 0.00 C ATOM 337 CG ARG A 161 34.986 -7.343 -18.668 1.00 0.00 C ATOM 338 CD ARG A 161 36.033 -7.963 -19.599 1.00 0.00 C ATOM 339 NE ARG A 161 37.009 -6.956 -20.033 1.00 0.00 N ATOM 340 CZ ARG A 161 38.064 -7.246 -20.814 1.00 0.00 C ATOM 341 NH1 ARG A 161 38.264 -8.503 -21.237 1.00 0.00 N ATOM 342 NH2 ARG A 161 38.917 -6.277 -21.172 1.00 0.00 N ATOM 0 H ARG A 161 32.231 -9.992 -17.643 1.00 0.00 H new ATOM 0 HA ARG A 161 34.962 -10.128 -18.564 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.317 -8.491 -19.429 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.062 -7.852 -17.818 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.629 -6.402 -19.087 1.00 0.00 H new ATOM 0 HG3 ARG A 161 35.439 -7.112 -17.704 1.00 0.00 H new ATOM 0 HD2 ARG A 161 36.547 -8.776 -19.085 1.00 0.00 H new ATOM 0 HD3 ARG A 161 35.540 -8.397 -20.469 1.00 0.00 H new ATOM 0 HE ARG A 161 36.881 -5.991 -19.728 1.00 0.00 H new ATOM 0 HH11 ARG A 161 37.615 -9.242 -20.966 1.00 0.00 H new ATOM 0 HH12 ARG A 161 39.065 -8.720 -21.830 1.00 0.00 H new ATOM 0 HH21 ARG A 161 38.766 -5.320 -20.852 1.00 0.00 H new ATOM 0 HH22 ARG A 161 39.718 -6.496 -21.765 1.00 0.00 H new ATOM 356 N LEU A 162 34.342 -8.944 -15.520 1.00 0.00 N ATOM 357 CA LEU A 162 34.962 -8.626 -14.239 1.00 0.00 C ATOM 358 C LEU A 162 35.013 -9.858 -13.331 1.00 0.00 C ATOM 359 O LEU A 162 36.097 -10.327 -12.988 1.00 0.00 O ATOM 360 CB LEU A 162 34.173 -7.493 -13.570 1.00 0.00 C ATOM 361 CG LEU A 162 34.419 -6.171 -14.319 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.097 -5.621 -14.858 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.037 -5.151 -13.364 1.00 0.00 C ATOM 0 H LEU A 162 33.336 -8.780 -15.547 1.00 0.00 H new ATOM 0 HA LEU A 162 35.989 -8.304 -14.410 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.109 -7.729 -13.571 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.476 -7.393 -12.528 1.00 0.00 H new ATOM 0 HG LEU A 162 35.098 -6.355 -15.151 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.281 -4.686 -15.386 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.654 -6.344 -15.543 1.00 0.00 H new ATOM 0 HD13 LEU A 162 32.413 -5.441 -14.029 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.211 -4.215 -13.894 1.00 0.00 H new ATOM 0 HD22 LEU A 162 34.357 -4.975 -12.530 1.00 0.00 H new ATOM 0 HD23 LEU A 162 35.984 -5.535 -12.985 1.00 0.00 H new ATOM 375 N GLY A 163 33.842 -10.369 -12.934 1.00 0.00 N ATOM 376 CA GLY A 163 33.748 -11.515 -12.037 1.00 0.00 C ATOM 377 C GLY A 163 32.671 -11.255 -10.990 1.00 0.00 C ATOM 378 O GLY A 163 31.653 -10.638 -11.290 1.00 0.00 O ATOM 0 H GLY A 163 32.938 -9.998 -13.227 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.509 -12.415 -12.604 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.708 -11.689 -11.551 1.00 0.00 H new ATOM 382 N ASN A 164 32.901 -11.719 -9.754 1.00 0.00 N ATOM 383 CA ASN A 164 31.950 -11.530 -8.661 1.00 0.00 C ATOM 384 C ASN A 164 32.174 -10.169 -7.989 1.00 0.00 C ATOM 385 O ASN A 164 31.901 -10.014 -6.799 1.00 0.00 O ATOM 386 CB ASN A 164 32.115 -12.662 -7.638 1.00 0.00 C ATOM 387 CG ASN A 164 31.851 -14.026 -8.269 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.714 -14.488 -8.297 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.906 -14.672 -8.769 1.00 0.00 N ATOM 0 H ASN A 164 33.743 -12.230 -9.490 1.00 0.00 H new ATOM 0 HA ASN A 164 30.936 -11.552 -9.061 1.00 0.00 H new ATOM 0 HB2 ASN A 164 33.124 -12.639 -7.227 1.00 0.00 H new ATOM 0 HB3 ASN A 164 31.428 -12.505 -6.806 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.786 -15.590 -9.197 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.833 -14.248 -8.723 1.00 0.00 H new ATOM 396 N ARG A 165 32.672 -9.182 -8.748 1.00 0.00 N ATOM 397 CA ARG A 165 32.932 -7.853 -8.216 1.00 0.00 C ATOM 398 C ARG A 165 31.640 -7.038 -8.230 1.00 0.00 C ATOM 399 O ARG A 165 31.556 -6.022 -8.911 1.00 0.00 O ATOM 400 CB ARG A 165 34.015 -7.165 -9.063 1.00 0.00 C ATOM 401 CG ARG A 165 35.357 -7.884 -8.881 1.00 0.00 C ATOM 402 CD ARG A 165 36.415 -7.251 -9.796 1.00 0.00 C ATOM 403 NE ARG A 165 36.662 -5.840 -9.451 1.00 0.00 N ATOM 404 CZ ARG A 165 37.458 -5.453 -8.436 1.00 0.00 C ATOM 405 NH1 ARG A 165 38.015 -6.366 -7.628 1.00 0.00 N ATOM 406 NH2 ARG A 165 37.698 -4.151 -8.233 1.00 0.00 N ATOM 0 H ARG A 165 32.901 -9.289 -9.736 1.00 0.00 H new ATOM 0 HA ARG A 165 33.287 -7.928 -7.188 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.727 -7.175 -10.114 1.00 0.00 H new ATOM 0 HB3 ARG A 165 34.110 -6.120 -8.768 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.677 -7.819 -7.841 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.247 -8.943 -9.115 1.00 0.00 H new ATOM 0 HD2 ARG A 165 37.346 -7.813 -9.718 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.087 -7.320 -10.833 1.00 0.00 H new ATOM 0 HE ARG A 165 36.206 -5.119 -10.010 1.00 0.00 H new ATOM 0 HH11 ARG A 165 37.837 -7.359 -7.781 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.617 -6.068 -6.861 1.00 0.00 H new ATOM 0 HH21 ARG A 165 37.278 -3.453 -8.847 1.00 0.00 H new ATOM 0 HH22 ARG A 165 38.301 -3.857 -7.464 1.00 0.00 H new ATOM 420 N TRP A 166 30.629 -7.485 -7.474 1.00 0.00 N ATOM 421 CA TRP A 166 29.347 -6.791 -7.416 1.00 0.00 C ATOM 422 C TRP A 166 29.547 -5.366 -6.910 1.00 0.00 C ATOM 423 O TRP A 166 28.870 -4.456 -7.357 1.00 0.00 O ATOM 424 CB TRP A 166 28.374 -7.541 -6.508 1.00 0.00 C ATOM 425 CG TRP A 166 28.470 -9.028 -6.569 1.00 0.00 C ATOM 426 CD1 TRP A 166 29.020 -9.793 -5.626 1.00 0.00 C ATOM 427 CD2 TRP A 166 28.015 -9.953 -7.603 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.955 -11.122 -5.961 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.336 -11.285 -7.186 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.365 -9.814 -8.851 1.00 0.00 C ATOM 431 CZ2 TRP A 166 28.027 -12.407 -7.957 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.052 -10.947 -9.634 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.383 -12.239 -9.185 1.00 0.00 C ATOM 0 H TRP A 166 30.679 -8.324 -6.896 1.00 0.00 H new ATOM 0 HA TRP A 166 28.925 -6.754 -8.420 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.543 -7.223 -5.479 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.357 -7.247 -6.769 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.460 -9.415 -4.715 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.314 -11.884 -5.386 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.105 -8.829 -9.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.284 -13.396 -7.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.555 -10.821 -10.584 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.139 -13.100 -9.790 1.00 0.00 H new ATOM 444 N ALA A 167 30.487 -5.172 -5.978 1.00 0.00 N ATOM 445 CA ALA A 167 30.777 -3.850 -5.435 1.00 0.00 C ATOM 446 C ALA A 167 31.180 -2.880 -6.556 1.00 0.00 C ATOM 447 O ALA A 167 31.161 -1.666 -6.358 1.00 0.00 O ATOM 448 CB ALA A 167 31.896 -3.969 -4.400 1.00 0.00 C ATOM 0 H ALA A 167 31.059 -5.920 -5.586 1.00 0.00 H new ATOM 0 HA ALA A 167 29.882 -3.453 -4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 167 32.118 -2.984 -3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.579 -4.634 -3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.789 -4.374 -4.875 1.00 0.00 H new ATOM 454 N GLU A 168 31.546 -3.423 -7.729 1.00 0.00 N ATOM 455 CA GLU A 168 31.956 -2.630 -8.876 1.00 0.00 C ATOM 456 C GLU A 168 30.853 -2.644 -9.945 1.00 0.00 C ATOM 457 O GLU A 168 30.508 -1.603 -10.495 1.00 0.00 O ATOM 458 CB GLU A 168 33.263 -3.224 -9.419 1.00 0.00 C ATOM 459 CG GLU A 168 34.157 -2.123 -9.990 1.00 0.00 C ATOM 460 CD GLU A 168 35.584 -2.633 -10.138 1.00 0.00 C ATOM 461 OE1 GLU A 168 35.757 -3.640 -10.854 1.00 0.00 O ATOM 462 OE2 GLU A 168 36.479 -2.017 -9.522 1.00 0.00 O ATOM 0 H GLU A 168 31.562 -4.429 -7.898 1.00 0.00 H new ATOM 0 HA GLU A 168 32.120 -1.591 -8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.789 -3.750 -8.622 1.00 0.00 H new ATOM 0 HB3 GLU A 168 33.041 -3.958 -10.193 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.776 -1.800 -10.959 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.140 -1.253 -9.334 1.00 0.00 H new ATOM 469 N ILE A 169 30.306 -3.833 -10.233 1.00 0.00 N ATOM 470 CA ILE A 169 29.260 -3.997 -11.241 1.00 0.00 C ATOM 471 C ILE A 169 27.982 -3.277 -10.801 1.00 0.00 C ATOM 472 O ILE A 169 27.392 -2.523 -11.572 1.00 0.00 O ATOM 473 CB ILE A 169 28.975 -5.499 -11.435 1.00 0.00 C ATOM 474 CG1 ILE A 169 30.255 -6.241 -11.860 1.00 0.00 C ATOM 475 CG2 ILE A 169 27.898 -5.685 -12.510 1.00 0.00 C ATOM 476 CD1 ILE A 169 30.163 -7.712 -11.436 1.00 0.00 C ATOM 0 H ILE A 169 30.578 -4.702 -9.774 1.00 0.00 H new ATOM 0 HA ILE A 169 29.596 -3.563 -12.183 1.00 0.00 H new ATOM 0 HB ILE A 169 28.626 -5.912 -10.488 1.00 0.00 H new ATOM 0 HG12 ILE A 169 30.386 -6.171 -12.940 1.00 0.00 H new ATOM 0 HG13 ILE A 169 31.127 -5.774 -11.402 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.699 -6.748 -12.645 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.983 -5.181 -12.199 1.00 0.00 H new ATOM 0 HG23 ILE A 169 28.246 -5.259 -13.451 1.00 0.00 H new ATOM 0 HD11 ILE A 169 31.070 -8.235 -11.738 1.00 0.00 H new ATOM 0 HD12 ILE A 169 30.053 -7.772 -10.353 1.00 0.00 H new ATOM 0 HD13 ILE A 169 29.301 -8.175 -11.915 1.00 0.00 H new ATOM 488 N ALA A 170 27.558 -3.529 -9.558 1.00 0.00 N ATOM 489 CA ALA A 170 26.337 -2.964 -8.999 1.00 0.00 C ATOM 490 C ALA A 170 26.329 -1.435 -9.082 1.00 0.00 C ATOM 491 O ALA A 170 25.260 -0.832 -9.111 1.00 0.00 O ATOM 492 CB ALA A 170 26.200 -3.422 -7.545 1.00 0.00 C ATOM 0 H ALA A 170 28.061 -4.136 -8.911 1.00 0.00 H new ATOM 0 HA ALA A 170 25.488 -3.320 -9.584 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.289 -3.005 -7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 170 26.152 -4.510 -7.509 1.00 0.00 H new ATOM 0 HB3 ALA A 170 27.061 -3.078 -6.972 1.00 0.00 H new ATOM 498 N LYS A 171 27.511 -0.804 -9.120 1.00 0.00 N ATOM 499 CA LYS A 171 27.601 0.651 -9.208 1.00 0.00 C ATOM 500 C LYS A 171 26.937 1.136 -10.501 1.00 0.00 C ATOM 501 O LYS A 171 26.394 2.238 -10.543 1.00 0.00 O ATOM 502 CB LYS A 171 29.072 1.085 -9.165 1.00 0.00 C ATOM 503 CG LYS A 171 29.701 0.702 -7.819 1.00 0.00 C ATOM 504 CD LYS A 171 29.406 1.790 -6.778 1.00 0.00 C ATOM 505 CE LYS A 171 29.764 1.286 -5.375 1.00 0.00 C ATOM 506 NZ LYS A 171 31.174 0.864 -5.298 1.00 0.00 N ATOM 0 H LYS A 171 28.412 -1.281 -9.091 1.00 0.00 H new ATOM 0 HA LYS A 171 27.081 1.096 -8.360 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.622 0.612 -9.979 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.145 2.162 -9.315 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.303 -0.255 -7.481 1.00 0.00 H new ATOM 0 HG3 LYS A 171 30.778 0.577 -7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 171 29.979 2.689 -7.007 1.00 0.00 H new ATOM 0 HD3 LYS A 171 28.352 2.065 -6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 171 29.578 2.074 -4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 171 29.117 0.449 -5.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 31.450 0.756 -4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 31.292 -0.044 -5.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 31.776 1.583 -5.748 1.00 0.00 H new ATOM 520 N LEU A 172 26.982 0.306 -11.552 1.00 0.00 N ATOM 521 CA LEU A 172 26.382 0.641 -12.836 1.00 0.00 C ATOM 522 C LEU A 172 24.860 0.469 -12.768 1.00 0.00 C ATOM 523 O LEU A 172 24.145 0.984 -13.626 1.00 0.00 O ATOM 524 CB LEU A 172 26.972 -0.263 -13.930 1.00 0.00 C ATOM 525 CG LEU A 172 28.510 -0.197 -13.926 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.057 -1.156 -14.984 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.980 1.227 -14.241 1.00 0.00 C ATOM 0 H LEU A 172 27.434 -0.608 -11.530 1.00 0.00 H new ATOM 0 HA LEU A 172 26.602 1.681 -13.076 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.648 -1.292 -13.772 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.593 0.044 -14.905 1.00 0.00 H new ATOM 0 HG LEU A 172 28.877 -0.481 -12.940 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.146 -1.113 -14.986 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.734 -2.172 -14.756 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.681 -0.867 -15.966 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.069 1.260 -14.235 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.613 1.522 -15.224 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.592 1.913 -13.488 1.00 0.00 H new ATOM 539 N LEU A 173 24.369 -0.257 -11.747 1.00 0.00 N ATOM 540 CA LEU A 173 22.942 -0.502 -11.567 1.00 0.00 C ATOM 541 C LEU A 173 22.525 -0.094 -10.144 1.00 0.00 C ATOM 542 O LEU A 173 22.249 -0.959 -9.308 1.00 0.00 O ATOM 543 CB LEU A 173 22.656 -1.994 -11.803 1.00 0.00 C ATOM 544 CG LEU A 173 22.981 -2.394 -13.253 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.954 -3.919 -13.372 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.944 -1.795 -14.211 1.00 0.00 C ATOM 0 H LEU A 173 24.955 -0.685 -11.030 1.00 0.00 H new ATOM 0 HA LEU A 173 22.369 0.089 -12.281 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.249 -2.595 -11.114 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.608 -2.206 -11.590 1.00 0.00 H new ATOM 0 HG LEU A 173 23.969 -2.016 -13.515 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.184 -4.208 -14.398 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.695 -4.350 -12.699 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.964 -4.287 -13.104 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.184 -2.084 -15.234 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.952 -2.166 -13.952 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.958 -0.708 -14.129 1.00 0.00 H new ATOM 558 N PRO A 174 22.474 1.225 -9.859 1.00 0.00 N ATOM 559 CA PRO A 174 22.110 1.728 -8.548 1.00 0.00 C ATOM 560 C PRO A 174 20.697 1.291 -8.161 1.00 0.00 C ATOM 561 O PRO A 174 20.434 1.018 -6.993 1.00 0.00 O ATOM 562 CB PRO A 174 22.213 3.254 -8.640 1.00 0.00 C ATOM 563 CG PRO A 174 22.537 3.593 -10.099 1.00 0.00 C ATOM 564 CD PRO A 174 22.777 2.268 -10.820 1.00 0.00 C ATOM 0 HA PRO A 174 22.769 1.333 -7.775 1.00 0.00 H new ATOM 0 HB2 PRO A 174 21.278 3.723 -8.333 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.991 3.629 -7.975 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.715 4.140 -10.560 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.418 4.231 -10.161 1.00 0.00 H new ATOM 0 HD2 PRO A 174 22.140 2.183 -11.701 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.809 2.193 -11.164 1.00 0.00 H new ATOM 572 N GLY A 175 19.788 1.225 -9.143 1.00 0.00 N ATOM 573 CA GLY A 175 18.403 0.843 -8.895 1.00 0.00 C ATOM 574 C GLY A 175 18.252 -0.677 -8.748 1.00 0.00 C ATOM 575 O GLY A 175 17.144 -1.195 -8.884 1.00 0.00 O ATOM 0 H GLY A 175 19.995 1.434 -10.120 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.047 1.334 -7.989 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.776 1.194 -9.715 1.00 0.00 H new ATOM 579 N ARG A 176 19.358 -1.390 -8.472 1.00 0.00 N ATOM 580 CA ARG A 176 19.333 -2.839 -8.291 1.00 0.00 C ATOM 581 C ARG A 176 20.194 -3.216 -7.085 1.00 0.00 C ATOM 582 O ARG A 176 19.787 -4.040 -6.278 1.00 0.00 O ATOM 583 CB ARG A 176 19.864 -3.539 -9.550 1.00 0.00 C ATOM 584 CG ARG A 176 19.003 -3.203 -10.780 1.00 0.00 C ATOM 585 CD ARG A 176 17.644 -3.909 -10.691 1.00 0.00 C ATOM 586 NE ARG A 176 16.898 -3.758 -11.950 1.00 0.00 N ATOM 587 CZ ARG A 176 16.027 -2.759 -12.189 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.833 -1.789 -11.281 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.350 -2.731 -13.345 1.00 0.00 N ATOM 0 H ARG A 176 20.284 -0.975 -8.370 1.00 0.00 H new ATOM 0 HA ARG A 176 18.306 -3.160 -8.119 1.00 0.00 H new ATOM 0 HB2 ARG A 176 20.895 -3.235 -9.731 1.00 0.00 H new ATOM 0 HB3 ARG A 176 19.873 -4.618 -9.393 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.856 -2.125 -10.845 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.521 -3.510 -11.689 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.791 -4.967 -10.474 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.065 -3.492 -9.867 1.00 0.00 H new ATOM 0 HE ARG A 176 17.049 -4.450 -12.684 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.348 -1.804 -10.400 1.00 0.00 H new ATOM 0 HH12 ARG A 176 15.171 -1.037 -11.472 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.495 -3.464 -14.039 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.689 -1.977 -13.531 1.00 0.00 H new ATOM 603 N THR A 177 21.386 -2.597 -6.987 1.00 0.00 N ATOM 604 CA THR A 177 22.352 -2.836 -5.906 1.00 0.00 C ATOM 605 C THR A 177 22.942 -4.249 -6.006 1.00 0.00 C ATOM 606 O THR A 177 22.436 -5.104 -6.735 1.00 0.00 O ATOM 607 CB THR A 177 21.740 -2.581 -4.508 1.00 0.00 C ATOM 608 OG1 THR A 177 21.038 -3.719 -4.055 1.00 0.00 O ATOM 609 CG2 THR A 177 20.800 -1.370 -4.544 1.00 0.00 C ATOM 0 H THR A 177 21.706 -1.908 -7.668 1.00 0.00 H new ATOM 0 HA THR A 177 23.162 -2.117 -6.030 1.00 0.00 H new ATOM 0 HB THR A 177 22.556 -2.374 -3.816 1.00 0.00 H new ATOM 0 HG1 THR A 177 20.353 -3.963 -4.711 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.379 -1.206 -3.552 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.358 -0.486 -4.852 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.994 -1.556 -5.254 1.00 0.00 H new ATOM 617 N ASP A 178 24.032 -4.476 -5.266 1.00 0.00 N ATOM 618 CA ASP A 178 24.741 -5.744 -5.273 1.00 0.00 C ATOM 619 C ASP A 178 23.895 -6.843 -4.643 1.00 0.00 C ATOM 620 O ASP A 178 24.018 -8.000 -5.019 1.00 0.00 O ATOM 621 CB ASP A 178 26.061 -5.584 -4.511 1.00 0.00 C ATOM 622 CG ASP A 178 25.814 -5.179 -3.062 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.378 -4.022 -2.862 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.063 -6.033 -2.185 1.00 0.00 O ATOM 0 H ASP A 178 24.443 -3.778 -4.646 1.00 0.00 H new ATOM 0 HA ASP A 178 24.946 -6.032 -6.304 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.617 -6.521 -4.540 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.679 -4.832 -5.002 1.00 0.00 H new ATOM 629 N ASN A 179 23.040 -6.485 -3.682 1.00 0.00 N ATOM 630 CA ASN A 179 22.203 -7.456 -3.001 1.00 0.00 C ATOM 631 C ASN A 179 21.314 -8.188 -4.005 1.00 0.00 C ATOM 632 O ASN A 179 21.312 -9.416 -4.051 1.00 0.00 O ATOM 633 CB ASN A 179 21.355 -6.743 -1.944 1.00 0.00 C ATOM 634 CG ASN A 179 20.394 -7.718 -1.269 1.00 0.00 C ATOM 635 OD1 ASN A 179 20.757 -8.382 -0.303 1.00 0.00 O ATOM 636 ND2 ASN A 179 19.164 -7.802 -1.780 1.00 0.00 N ATOM 0 H ASN A 179 22.914 -5.525 -3.362 1.00 0.00 H new ATOM 0 HA ASN A 179 22.834 -8.196 -2.509 1.00 0.00 H new ATOM 0 HB2 ASN A 179 22.005 -6.290 -1.196 1.00 0.00 H new ATOM 0 HB3 ASN A 179 20.792 -5.934 -2.409 1.00 0.00 H new ATOM 0 HD21 ASN A 179 18.482 -8.438 -1.366 1.00 0.00 H new ATOM 0 HD22 ASN A 179 18.906 -7.231 -2.584 1.00 0.00 H new ATOM 643 N ALA A 180 20.553 -7.431 -4.803 1.00 0.00 N ATOM 644 CA ALA A 180 19.635 -8.013 -5.770 1.00 0.00 C ATOM 645 C ALA A 180 20.394 -8.813 -6.826 1.00 0.00 C ATOM 646 O ALA A 180 19.987 -9.919 -7.165 1.00 0.00 O ATOM 647 CB ALA A 180 18.819 -6.903 -6.430 1.00 0.00 C ATOM 0 H ALA A 180 20.560 -6.411 -4.793 1.00 0.00 H new ATOM 0 HA ALA A 180 18.962 -8.695 -5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.131 -7.339 -7.155 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.252 -6.366 -5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.490 -6.211 -6.938 1.00 0.00 H new ATOM 653 N ILE A 181 21.489 -8.250 -7.353 1.00 0.00 N ATOM 654 CA ILE A 181 22.262 -8.905 -8.404 1.00 0.00 C ATOM 655 C ILE A 181 22.876 -10.208 -7.885 1.00 0.00 C ATOM 656 O ILE A 181 22.703 -11.260 -8.497 1.00 0.00 O ATOM 657 CB ILE A 181 23.353 -7.949 -8.914 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.702 -6.715 -9.558 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.215 -8.669 -9.959 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.732 -5.594 -9.708 1.00 0.00 C ATOM 0 H ILE A 181 21.856 -7.343 -7.066 1.00 0.00 H new ATOM 0 HA ILE A 181 21.600 -9.155 -9.233 1.00 0.00 H new ATOM 0 HB ILE A 181 23.976 -7.635 -8.076 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.294 -6.977 -10.534 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.868 -6.373 -8.945 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.989 -7.992 -10.321 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.681 -9.544 -9.506 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.588 -8.983 -10.794 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.260 -4.725 -10.165 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.119 -5.322 -8.726 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.552 -5.936 -10.340 1.00 0.00 H new ATOM 672 N LYS A 182 23.599 -10.134 -6.763 1.00 0.00 N ATOM 673 CA LYS A 182 24.263 -11.295 -6.186 1.00 0.00 C ATOM 674 C LYS A 182 23.241 -12.379 -5.849 1.00 0.00 C ATOM 675 O LYS A 182 23.460 -13.551 -6.158 1.00 0.00 O ATOM 676 CB LYS A 182 25.034 -10.861 -4.934 1.00 0.00 C ATOM 677 CG LYS A 182 25.861 -12.031 -4.394 1.00 0.00 C ATOM 678 CD LYS A 182 26.675 -11.563 -3.186 1.00 0.00 C ATOM 679 CE LYS A 182 27.484 -12.734 -2.624 1.00 0.00 C ATOM 680 NZ LYS A 182 28.242 -12.327 -1.426 1.00 0.00 N ATOM 0 H LYS A 182 23.737 -9.271 -6.236 1.00 0.00 H new ATOM 0 HA LYS A 182 24.964 -11.713 -6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.688 -10.023 -5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.338 -10.515 -4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.205 -12.853 -4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.526 -12.409 -5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.344 -10.753 -3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 182 26.010 -11.166 -2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.814 -13.556 -2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 182 28.171 -13.104 -3.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 28.782 -13.139 -1.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.897 -11.558 -1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.582 -11.996 -0.693 1.00 0.00 H new ATOM 694 N ASN A 183 22.127 -11.989 -5.215 1.00 0.00 N ATOM 695 CA ASN A 183 21.081 -12.930 -4.840 1.00 0.00 C ATOM 696 C ASN A 183 20.501 -13.592 -6.088 1.00 0.00 C ATOM 697 O ASN A 183 20.460 -14.814 -6.177 1.00 0.00 O ATOM 698 CB ASN A 183 19.987 -12.193 -4.064 1.00 0.00 C ATOM 699 CG ASN A 183 18.818 -13.123 -3.760 1.00 0.00 C ATOM 700 OD1 ASN A 183 17.782 -13.055 -4.414 1.00 0.00 O ATOM 701 ND2 ASN A 183 18.987 -13.995 -2.766 1.00 0.00 N ATOM 0 H ASN A 183 21.933 -11.022 -4.953 1.00 0.00 H new ATOM 0 HA ASN A 183 21.503 -13.708 -4.204 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.397 -11.801 -3.133 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.637 -11.339 -4.643 1.00 0.00 H new ATOM 0 HD21 ASN A 183 18.237 -14.642 -2.522 1.00 0.00 H new ATOM 0 HD22 ASN A 183 19.866 -14.015 -2.249 1.00 0.00 H new ATOM 708 N HIS A 184 20.054 -12.774 -7.048 1.00 0.00 N ATOM 709 CA HIS A 184 19.471 -13.263 -8.290 1.00 0.00 C ATOM 710 C HIS A 184 20.414 -14.259 -8.961 1.00 0.00 C ATOM 711 O HIS A 184 19.990 -15.345 -9.354 1.00 0.00 O ATOM 712 CB HIS A 184 19.198 -12.067 -9.203 1.00 0.00 C ATOM 713 CG HIS A 184 18.944 -12.452 -10.636 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.063 -13.462 -11.010 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.447 -11.969 -11.814 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.091 -13.518 -12.358 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.918 -12.631 -12.909 1.00 0.00 N ATOM 0 H HIS A 184 20.089 -11.757 -6.980 1.00 0.00 H new ATOM 0 HA HIS A 184 18.535 -13.782 -8.085 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.335 -11.520 -8.824 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.049 -11.387 -9.163 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.169 -11.169 -11.881 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.500 -14.215 -12.934 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.114 -12.477 -13.898 1.00 0.00 H new ATOM 725 N TRP A 185 21.691 -13.889 -9.089 1.00 0.00 N ATOM 726 CA TRP A 185 22.681 -14.753 -9.703 1.00 0.00 C ATOM 727 C TRP A 185 22.755 -16.073 -8.936 1.00 0.00 C ATOM 728 O TRP A 185 22.667 -17.140 -9.535 1.00 0.00 O ATOM 729 CB TRP A 185 24.037 -14.042 -9.712 1.00 0.00 C ATOM 730 CG TRP A 185 25.125 -14.777 -10.434 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.969 -15.659 -9.881 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.512 -14.703 -11.839 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.854 -16.149 -10.810 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.620 -15.586 -12.050 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.047 -13.983 -12.962 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.229 -15.739 -13.299 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.658 -14.137 -14.225 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.747 -15.010 -14.392 1.00 0.00 C ATOM 0 H TRP A 185 22.057 -12.991 -8.771 1.00 0.00 H new ATOM 0 HA TRP A 185 22.399 -14.973 -10.733 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.914 -13.061 -10.170 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.351 -13.876 -8.682 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.955 -15.947 -8.840 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.583 -16.834 -10.612 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.213 -13.306 -12.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 28.064 -16.414 -13.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.285 -13.579 -15.071 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.211 -15.118 -15.361 1.00 0.00 H new ATOM 749 N ASN A 186 22.910 -15.997 -7.606 1.00 0.00 N ATOM 750 CA ASN A 186 22.999 -17.186 -6.765 1.00 0.00 C ATOM 751 C ASN A 186 21.602 -17.636 -6.337 1.00 0.00 C ATOM 752 O ASN A 186 21.340 -17.801 -5.147 1.00 0.00 O ATOM 753 CB ASN A 186 23.868 -16.883 -5.539 1.00 0.00 C ATOM 754 CG ASN A 186 25.329 -16.719 -5.933 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.088 -17.688 -5.921 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.723 -15.493 -6.281 1.00 0.00 N ATOM 0 H ASN A 186 22.976 -15.117 -7.094 1.00 0.00 H new ATOM 0 HA ASN A 186 23.459 -17.995 -7.332 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.514 -15.973 -5.054 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.772 -17.690 -4.812 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.692 -15.327 -6.553 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.055 -14.722 -6.275 1.00 0.00 H new ATOM 763 N SER A 187 20.709 -17.841 -7.311 1.00 0.00 N ATOM 764 CA SER A 187 19.351 -18.281 -7.032 1.00 0.00 C ATOM 765 C SER A 187 18.680 -18.731 -8.327 1.00 0.00 C ATOM 766 O SER A 187 18.256 -19.879 -8.441 1.00 0.00 O ATOM 767 CB SER A 187 18.561 -17.137 -6.382 1.00 0.00 C ATOM 768 OG SER A 187 17.235 -17.553 -6.137 1.00 0.00 O ATOM 0 H SER A 187 20.910 -17.707 -8.302 1.00 0.00 H new ATOM 0 HA SER A 187 19.374 -19.124 -6.342 1.00 0.00 H new ATOM 0 HB2 SER A 187 19.037 -16.838 -5.448 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.564 -16.264 -7.034 1.00 0.00 H new ATOM 0 HG SER A 187 16.734 -16.821 -5.720 1.00 0.00 H new ATOM 774 N THR A 188 18.580 -17.820 -9.298 1.00 0.00 N ATOM 775 CA THR A 188 17.935 -18.107 -10.567 1.00 0.00 C ATOM 776 C THR A 188 18.880 -18.878 -11.489 1.00 0.00 C ATOM 777 O THR A 188 18.493 -19.903 -12.046 1.00 0.00 O ATOM 778 CB THR A 188 17.499 -16.788 -11.218 1.00 0.00 C ATOM 779 OG1 THR A 188 16.860 -15.974 -10.255 1.00 0.00 O ATOM 780 CG2 THR A 188 16.528 -17.075 -12.365 1.00 0.00 C ATOM 0 H THR A 188 18.944 -16.870 -9.221 1.00 0.00 H new ATOM 0 HA THR A 188 17.058 -18.731 -10.394 1.00 0.00 H new ATOM 0 HB THR A 188 18.377 -16.272 -11.607 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.159 -15.047 -10.360 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.220 -16.136 -12.825 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.020 -17.700 -13.110 1.00 0.00 H new ATOM 0 HG23 THR A 188 15.651 -17.594 -11.978 1.00 0.00 H new ATOM 788 N MET A 189 20.114 -18.378 -11.656 1.00 0.00 N ATOM 789 CA MET A 189 21.088 -19.004 -12.542 1.00 0.00 C ATOM 790 C MET A 189 22.060 -19.869 -11.740 1.00 0.00 C ATOM 791 O MET A 189 21.846 -21.071 -11.598 1.00 0.00 O ATOM 792 CB MET A 189 21.839 -17.914 -13.318 1.00 0.00 C ATOM 793 CG MET A 189 20.922 -17.318 -14.390 1.00 0.00 C ATOM 794 SD MET A 189 21.744 -16.136 -15.491 1.00 0.00 S ATOM 795 CE MET A 189 21.971 -14.764 -14.332 1.00 0.00 C ATOM 0 H MET A 189 20.455 -17.540 -11.185 1.00 0.00 H new ATOM 0 HA MET A 189 20.571 -19.652 -13.250 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.172 -17.132 -12.635 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.732 -18.334 -13.782 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.506 -18.128 -14.989 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.084 -16.821 -13.901 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.576 -13.988 -14.801 1.00 0.00 H new ATOM 0 HE2 MET A 189 20.999 -14.352 -14.061 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.475 -15.125 -13.435 1.00 0.00 H new ATOM 805 N ARG A 190 23.134 -19.252 -11.228 1.00 0.00 N ATOM 806 CA ARG A 190 24.163 -19.959 -10.481 1.00 0.00 C ATOM 807 C ARG A 190 24.737 -21.083 -11.353 1.00 0.00 C ATOM 808 O ARG A 190 24.756 -20.955 -12.577 1.00 0.00 O ATOM 809 CB ARG A 190 23.571 -20.487 -9.161 1.00 0.00 C ATOM 810 CG ARG A 190 24.630 -20.400 -8.053 1.00 0.00 C ATOM 811 CD ARG A 190 24.021 -20.841 -6.721 1.00 0.00 C ATOM 812 NE ARG A 190 24.778 -20.280 -5.593 1.00 0.00 N ATOM 813 CZ ARG A 190 24.649 -20.719 -4.328 1.00 0.00 C ATOM 814 NH1 ARG A 190 23.817 -21.732 -4.045 1.00 0.00 N ATOM 815 NH2 ARG A 190 25.354 -20.138 -3.350 1.00 0.00 N ATOM 0 H ARG A 190 23.306 -18.251 -11.324 1.00 0.00 H new ATOM 0 HA ARG A 190 24.982 -19.286 -10.225 1.00 0.00 H new ATOM 0 HB2 ARG A 190 22.692 -19.904 -8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.243 -21.519 -9.285 1.00 0.00 H new ATOM 0 HG2 ARG A 190 25.482 -21.032 -8.301 1.00 0.00 H new ATOM 0 HG3 ARG A 190 25.003 -19.379 -7.973 1.00 0.00 H new ATOM 0 HD2 ARG A 190 22.982 -20.517 -6.665 1.00 0.00 H new ATOM 0 HD3 ARG A 190 24.019 -21.929 -6.659 1.00 0.00 H new ATOM 0 HE ARG A 190 25.433 -19.521 -5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 190 23.279 -22.173 -4.791 1.00 0.00 H new ATOM 0 HH12 ARG A 190 23.723 -22.061 -3.084 1.00 0.00 H new ATOM 0 HH21 ARG A 190 25.985 -19.366 -3.566 1.00 0.00 H new ATOM 0 HH22 ARG A 190 25.260 -20.467 -2.389 1.00 0.00 H new