USER MOD reduce.3.24.130724 H: found=0, std=0, add=354, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 353 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= -1.37 X(o=-1.4,f=-1) USER MOD Set 1.2: A 188 THR OG1 : rot 84:sc= 0 USER MOD Single : A 148 THR OG1 : rot 85:sc= 1.41 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 159 HIS :FLIP no HD1:sc= -1.8 F(o=-2.6,f=-1.8) USER MOD Single : A 160 LYS NZ :NH3+ -166:sc= -0.0255 (180deg=-0.228) USER MOD Single : A 164 ASN : amide:sc= -0.0749 X(o=-0.075,f=0) USER MOD Single : A 171 LYS NZ :NH3+ -154:sc= -1.25 (180deg=-2.42) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 ASN : amide:sc= -0.0286 X(o=-0.029,f=-0.029) USER MOD Single : A 182 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0036) USER MOD Single : A 183 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 ASN :FLIP amide:sc= 0.795 F(o=-0.0053,f=0.8) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl 177:sc= 0 (180deg=-0.00452) USER MOD ----------------------------------------------------------------- ATOM 120 N TRP A 147 13.282 -9.869 -12.759 1.00 0.00 N ATOM 121 CA TRP A 147 14.390 -9.242 -13.454 1.00 0.00 C ATOM 122 C TRP A 147 14.147 -9.289 -14.961 1.00 0.00 C ATOM 123 O TRP A 147 13.990 -10.367 -15.531 1.00 0.00 O ATOM 124 CB TRP A 147 15.684 -9.976 -13.097 1.00 0.00 C ATOM 125 CG TRP A 147 16.201 -9.705 -11.718 1.00 0.00 C ATOM 126 CD1 TRP A 147 15.568 -9.992 -10.566 1.00 0.00 C ATOM 127 CD2 TRP A 147 17.463 -9.099 -11.322 1.00 0.00 C ATOM 128 NE1 TRP A 147 16.321 -9.614 -9.484 1.00 0.00 N ATOM 129 CE2 TRP A 147 17.512 -9.050 -9.892 1.00 0.00 C ATOM 130 CE3 TRP A 147 18.580 -8.586 -12.018 1.00 0.00 C ATOM 131 CZ2 TRP A 147 18.600 -8.518 -9.200 1.00 0.00 C ATOM 132 CZ3 TRP A 147 19.679 -8.046 -11.323 1.00 0.00 C ATOM 133 CH2 TRP A 147 19.686 -8.010 -9.917 1.00 0.00 C ATOM 0 HA TRP A 147 14.475 -8.199 -13.150 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.518 -11.048 -13.203 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.453 -9.700 -13.819 1.00 0.00 H new ATOM 0 HD1 TRP A 147 14.596 -10.458 -10.502 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.039 -9.733 -8.511 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.591 -8.608 -13.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.603 -8.499 -8.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.523 -7.657 -11.873 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.531 -7.590 -9.392 1.00 0.00 H new ATOM 144 N THR A 148 14.117 -8.117 -15.603 1.00 0.00 N ATOM 145 CA THR A 148 13.906 -8.029 -17.037 1.00 0.00 C ATOM 146 C THR A 148 15.212 -8.338 -17.770 1.00 0.00 C ATOM 147 O THR A 148 16.290 -8.311 -17.168 1.00 0.00 O ATOM 148 CB THR A 148 13.384 -6.625 -17.395 1.00 0.00 C ATOM 149 OG1 THR A 148 13.669 -5.721 -16.347 1.00 0.00 O ATOM 150 CG2 THR A 148 11.871 -6.681 -17.606 1.00 0.00 C ATOM 0 H THR A 148 14.238 -7.215 -15.142 1.00 0.00 H new ATOM 0 HA THR A 148 13.161 -8.761 -17.348 1.00 0.00 H new ATOM 0 HB THR A 148 13.875 -6.288 -18.308 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.581 -5.377 -16.451 1.00 0.00 H new ATOM 0 HG21 THR A 148 11.502 -5.687 -17.859 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.642 -7.371 -18.418 1.00 0.00 H new ATOM 0 HG23 THR A 148 11.389 -7.025 -16.691 1.00 0.00 H new ATOM 158 N GLU A 149 15.109 -8.638 -19.074 1.00 0.00 N ATOM 159 CA GLU A 149 16.262 -8.986 -19.896 1.00 0.00 C ATOM 160 C GLU A 149 17.360 -7.927 -19.768 1.00 0.00 C ATOM 161 O GLU A 149 18.534 -8.265 -19.756 1.00 0.00 O ATOM 162 CB GLU A 149 15.820 -9.120 -21.359 1.00 0.00 C ATOM 163 CG GLU A 149 16.800 -10.013 -22.133 1.00 0.00 C ATOM 164 CD GLU A 149 16.680 -11.479 -21.717 1.00 0.00 C ATOM 165 OE1 GLU A 149 15.541 -11.897 -21.419 1.00 0.00 O ATOM 166 OE2 GLU A 149 17.733 -12.153 -21.711 1.00 0.00 O ATOM 0 H GLU A 149 14.224 -8.644 -19.580 1.00 0.00 H new ATOM 0 HA GLU A 149 16.670 -9.936 -19.551 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.817 -9.544 -21.405 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.771 -8.135 -21.823 1.00 0.00 H new ATOM 0 HG2 GLU A 149 16.609 -9.922 -23.202 1.00 0.00 H new ATOM 0 HG3 GLU A 149 17.820 -9.668 -21.961 1.00 0.00 H new ATOM 173 N GLU A 150 16.972 -6.648 -19.678 1.00 0.00 N ATOM 174 CA GLU A 150 17.928 -5.553 -19.575 1.00 0.00 C ATOM 175 C GLU A 150 18.964 -5.847 -18.485 1.00 0.00 C ATOM 176 O GLU A 150 20.152 -5.977 -18.778 1.00 0.00 O ATOM 177 CB GLU A 150 17.178 -4.246 -19.275 1.00 0.00 C ATOM 178 CG GLU A 150 16.283 -3.859 -20.460 1.00 0.00 C ATOM 179 CD GLU A 150 17.112 -3.545 -21.700 1.00 0.00 C ATOM 180 OE1 GLU A 150 17.855 -2.540 -21.645 1.00 0.00 O ATOM 181 OE2 GLU A 150 16.988 -4.314 -22.677 1.00 0.00 O ATOM 0 H GLU A 150 15.996 -6.352 -19.675 1.00 0.00 H new ATOM 0 HA GLU A 150 18.458 -5.448 -20.522 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.572 -4.365 -18.377 1.00 0.00 H new ATOM 0 HB3 GLU A 150 17.892 -3.447 -19.074 1.00 0.00 H new ATOM 0 HG2 GLU A 150 15.592 -4.674 -20.678 1.00 0.00 H new ATOM 0 HG3 GLU A 150 15.679 -2.991 -20.194 1.00 0.00 H new ATOM 188 N GLU A 151 18.519 -5.950 -17.227 1.00 0.00 N ATOM 189 CA GLU A 151 19.418 -6.209 -16.113 1.00 0.00 C ATOM 190 C GLU A 151 19.990 -7.623 -16.196 1.00 0.00 C ATOM 191 O GLU A 151 21.180 -7.812 -15.986 1.00 0.00 O ATOM 192 CB GLU A 151 18.670 -6.021 -14.789 1.00 0.00 C ATOM 193 CG GLU A 151 18.136 -4.588 -14.679 1.00 0.00 C ATOM 194 CD GLU A 151 16.632 -4.552 -14.908 1.00 0.00 C ATOM 195 OE1 GLU A 151 16.214 -4.991 -15.999 1.00 0.00 O ATOM 196 OE2 GLU A 151 15.928 -4.092 -13.980 1.00 0.00 O ATOM 0 H GLU A 151 17.538 -5.857 -16.962 1.00 0.00 H new ATOM 0 HA GLU A 151 20.246 -5.502 -16.163 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.844 -6.730 -14.726 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.337 -6.233 -13.953 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.368 -4.183 -13.694 1.00 0.00 H new ATOM 0 HG3 GLU A 151 18.635 -3.952 -15.410 1.00 0.00 H new ATOM 203 N ASP A 152 19.136 -8.614 -16.488 1.00 0.00 N ATOM 204 CA ASP A 152 19.545 -10.016 -16.533 1.00 0.00 C ATOM 205 C ASP A 152 20.747 -10.221 -17.463 1.00 0.00 C ATOM 206 O ASP A 152 21.783 -10.727 -17.033 1.00 0.00 O ATOM 207 CB ASP A 152 18.359 -10.868 -16.991 1.00 0.00 C ATOM 208 CG ASP A 152 18.696 -12.351 -16.930 1.00 0.00 C ATOM 209 OD1 ASP A 152 19.310 -12.836 -17.905 1.00 0.00 O ATOM 210 OD2 ASP A 152 18.337 -12.973 -15.907 1.00 0.00 O ATOM 0 H ASP A 152 18.149 -8.463 -16.698 1.00 0.00 H new ATOM 0 HA ASP A 152 19.854 -10.323 -15.534 1.00 0.00 H new ATOM 0 HB2 ASP A 152 17.494 -10.662 -16.361 1.00 0.00 H new ATOM 0 HB3 ASP A 152 18.083 -10.596 -18.010 1.00 0.00 H new ATOM 215 N ARG A 153 20.606 -9.838 -18.737 1.00 0.00 N ATOM 216 CA ARG A 153 21.665 -10.017 -19.722 1.00 0.00 C ATOM 217 C ARG A 153 22.949 -9.329 -19.254 1.00 0.00 C ATOM 218 O ARG A 153 24.029 -9.923 -19.293 1.00 0.00 O ATOM 219 CB ARG A 153 21.212 -9.448 -21.077 1.00 0.00 C ATOM 220 CG ARG A 153 21.695 -10.358 -22.210 1.00 0.00 C ATOM 221 CD ARG A 153 20.693 -11.501 -22.402 1.00 0.00 C ATOM 222 NE ARG A 153 21.217 -12.517 -23.319 1.00 0.00 N ATOM 223 CZ ARG A 153 20.544 -13.638 -23.628 1.00 0.00 C ATOM 224 NH1 ARG A 153 19.323 -13.854 -23.120 1.00 0.00 N ATOM 225 NH2 ARG A 153 21.096 -14.542 -24.447 1.00 0.00 N ATOM 0 H ARG A 153 19.762 -9.400 -19.106 1.00 0.00 H new ATOM 0 HA ARG A 153 21.871 -11.081 -19.836 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.125 -9.366 -21.102 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.611 -8.442 -21.211 1.00 0.00 H new ATOM 0 HG2 ARG A 153 21.795 -9.787 -23.133 1.00 0.00 H new ATOM 0 HG3 ARG A 153 22.681 -10.759 -21.975 1.00 0.00 H new ATOM 0 HD2 ARG A 153 20.470 -11.958 -21.438 1.00 0.00 H new ATOM 0 HD3 ARG A 153 19.755 -11.105 -22.792 1.00 0.00 H new ATOM 0 HE ARG A 153 22.133 -12.366 -23.741 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.901 -13.166 -22.496 1.00 0.00 H new ATOM 0 HH12 ARG A 153 18.815 -14.706 -23.357 1.00 0.00 H new ATOM 0 HH21 ARG A 153 22.025 -14.379 -24.835 1.00 0.00 H new ATOM 0 HH22 ARG A 153 20.587 -15.394 -24.683 1.00 0.00 H new ATOM 239 N ILE A 154 22.823 -8.071 -18.813 1.00 0.00 N ATOM 240 CA ILE A 154 23.961 -7.289 -18.352 1.00 0.00 C ATOM 241 C ILE A 154 24.610 -7.960 -17.142 1.00 0.00 C ATOM 242 O ILE A 154 25.825 -7.906 -16.990 1.00 0.00 O ATOM 243 CB ILE A 154 23.483 -5.869 -17.994 1.00 0.00 C ATOM 244 CG1 ILE A 154 23.033 -5.125 -19.269 1.00 0.00 C ATOM 245 CG2 ILE A 154 24.610 -5.090 -17.297 1.00 0.00 C ATOM 246 CD1 ILE A 154 24.241 -4.604 -20.061 1.00 0.00 C ATOM 0 H ILE A 154 21.933 -7.576 -18.768 1.00 0.00 H new ATOM 0 HA ILE A 154 24.708 -7.228 -19.144 1.00 0.00 H new ATOM 0 HB ILE A 154 22.636 -5.945 -17.312 1.00 0.00 H new ATOM 0 HG12 ILE A 154 22.445 -5.795 -19.896 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.385 -4.291 -18.998 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.260 -4.088 -17.049 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.900 -5.609 -16.384 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.470 -5.020 -17.963 1.00 0.00 H new ATOM 0 HD11 ILE A 154 23.894 -4.084 -20.954 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.814 -3.915 -19.440 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.874 -5.442 -20.352 1.00 0.00 H new ATOM 258 N LEU A 155 23.800 -8.585 -16.281 1.00 0.00 N ATOM 259 CA LEU A 155 24.298 -9.231 -15.075 1.00 0.00 C ATOM 260 C LEU A 155 25.405 -10.225 -15.415 1.00 0.00 C ATOM 261 O LEU A 155 26.494 -10.140 -14.864 1.00 0.00 O ATOM 262 CB LEU A 155 23.134 -9.933 -14.353 1.00 0.00 C ATOM 263 CG LEU A 155 23.455 -10.144 -12.865 1.00 0.00 C ATOM 264 CD1 LEU A 155 23.676 -8.790 -12.183 1.00 0.00 C ATOM 265 CD2 LEU A 155 22.272 -10.850 -12.200 1.00 0.00 C ATOM 0 H LEU A 155 22.790 -8.654 -16.404 1.00 0.00 H new ATOM 0 HA LEU A 155 24.722 -8.476 -14.413 1.00 0.00 H new ATOM 0 HB2 LEU A 155 22.227 -9.336 -14.452 1.00 0.00 H new ATOM 0 HB3 LEU A 155 22.936 -10.895 -14.826 1.00 0.00 H new ATOM 0 HG LEU A 155 24.358 -10.747 -12.770 1.00 0.00 H new ATOM 0 HD11 LEU A 155 23.903 -8.947 -11.128 1.00 0.00 H new ATOM 0 HD12 LEU A 155 24.509 -8.274 -12.661 1.00 0.00 H new ATOM 0 HD13 LEU A 155 22.774 -8.185 -12.274 1.00 0.00 H new ATOM 0 HD21 LEU A 155 22.488 -11.005 -11.143 1.00 0.00 H new ATOM 0 HD22 LEU A 155 21.378 -10.235 -12.301 1.00 0.00 H new ATOM 0 HD23 LEU A 155 22.106 -11.814 -12.682 1.00 0.00 H new ATOM 277 N TYR A 156 25.125 -11.171 -16.318 1.00 0.00 N ATOM 278 CA TYR A 156 26.094 -12.194 -16.691 1.00 0.00 C ATOM 279 C TYR A 156 27.260 -11.574 -17.464 1.00 0.00 C ATOM 280 O TYR A 156 28.422 -11.811 -17.128 1.00 0.00 O ATOM 281 CB TYR A 156 25.380 -13.272 -17.523 1.00 0.00 C ATOM 282 CG TYR A 156 26.223 -14.495 -17.879 1.00 0.00 C ATOM 283 CD1 TYR A 156 27.449 -14.764 -17.227 1.00 0.00 C ATOM 284 CD2 TYR A 156 25.754 -15.382 -18.867 1.00 0.00 C ATOM 285 CE1 TYR A 156 28.188 -15.911 -17.565 1.00 0.00 C ATOM 286 CE2 TYR A 156 26.498 -16.526 -19.201 1.00 0.00 C ATOM 287 CZ TYR A 156 27.715 -16.789 -18.552 1.00 0.00 C ATOM 288 OH TYR A 156 28.432 -17.902 -18.878 1.00 0.00 O ATOM 0 H TYR A 156 24.231 -11.245 -16.803 1.00 0.00 H new ATOM 0 HA TYR A 156 26.510 -12.654 -15.795 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.500 -13.607 -16.973 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.024 -12.816 -18.447 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.817 -14.088 -16.469 1.00 0.00 H new ATOM 0 HD2 TYR A 156 24.819 -15.182 -19.370 1.00 0.00 H new ATOM 0 HE1 TYR A 156 29.122 -16.117 -17.064 1.00 0.00 H new ATOM 0 HE2 TYR A 156 26.133 -17.204 -19.958 1.00 0.00 H new ATOM 0 HH TYR A 156 27.962 -18.401 -19.578 1.00 0.00 H new ATOM 298 N GLN A 157 26.949 -10.783 -18.497 1.00 0.00 N ATOM 299 CA GLN A 157 27.969 -10.142 -19.322 1.00 0.00 C ATOM 300 C GLN A 157 28.964 -9.379 -18.442 1.00 0.00 C ATOM 301 O GLN A 157 30.169 -9.419 -18.687 1.00 0.00 O ATOM 302 CB GLN A 157 27.285 -9.198 -20.315 1.00 0.00 C ATOM 303 CG GLN A 157 28.327 -8.572 -21.247 1.00 0.00 C ATOM 304 CD GLN A 157 27.652 -7.782 -22.365 1.00 0.00 C ATOM 305 OE1 GLN A 157 27.775 -8.131 -23.534 1.00 0.00 O ATOM 306 NE2 GLN A 157 26.939 -6.716 -22.000 1.00 0.00 N ATOM 0 H GLN A 157 25.992 -10.573 -18.780 1.00 0.00 H new ATOM 0 HA GLN A 157 28.525 -10.900 -19.873 1.00 0.00 H new ATOM 0 HB2 GLN A 157 26.545 -9.745 -20.899 1.00 0.00 H new ATOM 0 HB3 GLN A 157 26.750 -8.416 -19.776 1.00 0.00 H new ATOM 0 HG2 GLN A 157 28.983 -7.915 -20.676 1.00 0.00 H new ATOM 0 HG3 GLN A 157 28.954 -9.354 -21.676 1.00 0.00 H new ATOM 0 HE21 GLN A 157 26.866 -6.465 -21.014 1.00 0.00 H new ATOM 0 HE22 GLN A 157 26.467 -6.152 -22.707 1.00 0.00 H new ATOM 315 N ALA A 158 28.453 -8.684 -17.424 1.00 0.00 N ATOM 316 CA ALA A 158 29.279 -7.905 -16.523 1.00 0.00 C ATOM 317 C ALA A 158 30.009 -8.813 -15.543 1.00 0.00 C ATOM 318 O ALA A 158 31.206 -8.665 -15.347 1.00 0.00 O ATOM 319 CB ALA A 158 28.399 -6.922 -15.756 1.00 0.00 C ATOM 0 H ALA A 158 27.457 -8.650 -17.208 1.00 0.00 H new ATOM 0 HA ALA A 158 30.021 -7.360 -17.107 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.017 -6.334 -15.077 1.00 0.00 H new ATOM 0 HB2 ALA A 158 27.898 -6.257 -16.459 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.653 -7.472 -15.183 1.00 0.00 H new ATOM 325 N HIS A 159 29.280 -9.738 -14.914 1.00 0.00 N ATOM 326 CA HIS A 159 29.840 -10.611 -13.896 1.00 0.00 C ATOM 327 C HIS A 159 31.129 -11.276 -14.367 1.00 0.00 C ATOM 328 O HIS A 159 32.132 -11.230 -13.669 1.00 0.00 O ATOM 329 CB HIS A 159 28.815 -11.670 -13.495 1.00 0.00 C ATOM 330 CG HIS A 159 29.273 -12.459 -12.305 1.00 0.00 C ATOM 331 ND1 HIS A 159 29.527 -12.093 -11.014 1.00 0.00 N flip ATOM 332 CD2 HIS A 159 29.545 -13.821 -12.354 1.00 0.00 C flip ATOM 333 CE1 HIS A 159 29.943 -13.169 -10.244 1.00 0.00 C flip ATOM 334 NE2 HIS A 159 29.932 -14.181 -11.113 1.00 0.00 N flip ATOM 0 H HIS A 159 28.290 -9.898 -15.099 1.00 0.00 H new ATOM 0 HA HIS A 159 30.085 -9.997 -13.029 1.00 0.00 H new ATOM 0 HB2 HIS A 159 27.863 -11.189 -13.269 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.640 -12.344 -14.334 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.463 -14.465 -13.217 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.210 -13.184 -9.198 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.191 -15.135 -10.863 1.00 0.00 H new ATOM 342 N LYS A 160 31.101 -11.906 -15.539 1.00 0.00 N ATOM 343 CA LYS A 160 32.261 -12.630 -16.039 1.00 0.00 C ATOM 344 C LYS A 160 33.402 -11.671 -16.398 1.00 0.00 C ATOM 345 O LYS A 160 34.565 -12.062 -16.361 1.00 0.00 O ATOM 346 CB LYS A 160 31.852 -13.484 -17.248 1.00 0.00 C ATOM 347 CG LYS A 160 31.487 -12.586 -18.439 1.00 0.00 C ATOM 348 CD LYS A 160 30.693 -13.384 -19.483 1.00 0.00 C ATOM 349 CE LYS A 160 31.476 -14.626 -19.935 1.00 0.00 C ATOM 350 NZ LYS A 160 32.813 -14.267 -20.444 1.00 0.00 N ATOM 0 H LYS A 160 30.289 -11.928 -16.156 1.00 0.00 H new ATOM 0 HA LYS A 160 32.631 -13.288 -15.252 1.00 0.00 H new ATOM 0 HB2 LYS A 160 32.669 -14.150 -17.524 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.002 -14.114 -16.985 1.00 0.00 H new ATOM 0 HG2 LYS A 160 30.897 -11.736 -18.095 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.393 -12.183 -18.891 1.00 0.00 H new ATOM 0 HD2 LYS A 160 29.734 -13.687 -19.063 1.00 0.00 H new ATOM 0 HD3 LYS A 160 30.478 -12.751 -20.344 1.00 0.00 H new ATOM 0 HE2 LYS A 160 31.578 -15.318 -19.099 1.00 0.00 H new ATOM 0 HE3 LYS A 160 30.917 -15.146 -20.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 33.219 -15.077 -20.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 32.732 -13.456 -21.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 33.431 -14.014 -19.647 1.00 0.00 H new ATOM 364 N ARG A 161 33.074 -10.422 -16.748 1.00 0.00 N ATOM 365 CA ARG A 161 34.080 -9.436 -17.123 1.00 0.00 C ATOM 366 C ARG A 161 34.751 -8.869 -15.867 1.00 0.00 C ATOM 367 O ARG A 161 35.974 -8.750 -15.817 1.00 0.00 O ATOM 368 CB ARG A 161 33.410 -8.321 -17.939 1.00 0.00 C ATOM 369 CG ARG A 161 34.474 -7.362 -18.483 1.00 0.00 C ATOM 370 CD ARG A 161 33.793 -6.233 -19.263 1.00 0.00 C ATOM 371 NE ARG A 161 34.778 -5.247 -19.733 1.00 0.00 N ATOM 372 CZ ARG A 161 35.556 -5.434 -20.817 1.00 0.00 C ATOM 373 NH1 ARG A 161 35.473 -6.569 -21.524 1.00 0.00 N ATOM 374 NH2 ARG A 161 36.418 -4.478 -21.190 1.00 0.00 N ATOM 0 H ARG A 161 32.115 -10.075 -16.778 1.00 0.00 H new ATOM 0 HA ARG A 161 34.851 -9.906 -17.734 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.842 -8.753 -18.763 1.00 0.00 H new ATOM 0 HB3 ARG A 161 32.702 -7.776 -17.314 1.00 0.00 H new ATOM 0 HG2 ARG A 161 35.060 -6.949 -17.662 1.00 0.00 H new ATOM 0 HG3 ARG A 161 35.167 -7.900 -19.131 1.00 0.00 H new ATOM 0 HD2 ARG A 161 33.254 -6.648 -20.115 1.00 0.00 H new ATOM 0 HD3 ARG A 161 33.056 -5.741 -18.628 1.00 0.00 H new ATOM 0 HE ARG A 161 34.877 -4.376 -19.211 1.00 0.00 H new ATOM 0 HH11 ARG A 161 34.818 -7.298 -21.243 1.00 0.00 H new ATOM 0 HH12 ARG A 161 36.065 -6.704 -22.344 1.00 0.00 H new ATOM 0 HH21 ARG A 161 36.483 -3.613 -20.654 1.00 0.00 H new ATOM 0 HH22 ARG A 161 37.009 -4.616 -22.010 1.00 0.00 H new ATOM 388 N LEU A 162 33.944 -8.518 -14.860 1.00 0.00 N ATOM 389 CA LEU A 162 34.439 -7.943 -13.614 1.00 0.00 C ATOM 390 C LEU A 162 34.813 -9.055 -12.624 1.00 0.00 C ATOM 391 O LEU A 162 35.245 -8.767 -11.505 1.00 0.00 O ATOM 392 CB LEU A 162 33.343 -7.046 -13.006 1.00 0.00 C ATOM 393 CG LEU A 162 33.314 -5.644 -13.653 1.00 0.00 C ATOM 394 CD1 LEU A 162 34.628 -4.900 -13.383 1.00 0.00 C ATOM 395 CD2 LEU A 162 33.075 -5.748 -15.162 1.00 0.00 C ATOM 0 H LEU A 162 32.930 -8.626 -14.890 1.00 0.00 H new ATOM 0 HA LEU A 162 35.330 -7.350 -13.819 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.372 -7.524 -13.134 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.510 -6.946 -11.934 1.00 0.00 H new ATOM 0 HG LEU A 162 32.492 -5.083 -13.207 1.00 0.00 H new ATOM 0 HD11 LEU A 162 34.590 -3.914 -13.846 1.00 0.00 H new ATOM 0 HD12 LEU A 162 34.770 -4.790 -12.308 1.00 0.00 H new ATOM 0 HD13 LEU A 162 35.460 -5.466 -13.803 1.00 0.00 H new ATOM 0 HD21 LEU A 162 33.058 -4.749 -15.597 1.00 0.00 H new ATOM 0 HD22 LEU A 162 33.876 -6.329 -15.618 1.00 0.00 H new ATOM 0 HD23 LEU A 162 32.120 -6.240 -15.346 1.00 0.00 H new ATOM 407 N GLY A 163 34.642 -10.321 -13.027 1.00 0.00 N ATOM 408 CA GLY A 163 34.946 -11.454 -12.172 1.00 0.00 C ATOM 409 C GLY A 163 33.834 -11.640 -11.143 1.00 0.00 C ATOM 410 O GLY A 163 32.998 -12.528 -11.285 1.00 0.00 O ATOM 0 H GLY A 163 34.291 -10.578 -13.950 1.00 0.00 H new ATOM 0 HA2 GLY A 163 35.052 -12.357 -12.774 1.00 0.00 H new ATOM 0 HA3 GLY A 163 35.898 -11.294 -11.667 1.00 0.00 H new ATOM 414 N ASN A 164 33.832 -10.796 -10.104 1.00 0.00 N ATOM 415 CA ASN A 164 32.823 -10.857 -9.051 1.00 0.00 C ATOM 416 C ASN A 164 32.770 -9.535 -8.278 1.00 0.00 C ATOM 417 O ASN A 164 32.285 -9.501 -7.147 1.00 0.00 O ATOM 418 CB ASN A 164 33.136 -12.036 -8.121 1.00 0.00 C ATOM 419 CG ASN A 164 34.405 -11.787 -7.307 1.00 0.00 C ATOM 420 OD1 ASN A 164 34.333 -11.444 -6.131 1.00 0.00 O ATOM 421 ND2 ASN A 164 35.568 -11.959 -7.937 1.00 0.00 N ATOM 0 H ASN A 164 34.525 -10.059 -9.974 1.00 0.00 H new ATOM 0 HA ASN A 164 31.840 -11.012 -9.496 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.296 -12.201 -7.446 1.00 0.00 H new ATOM 0 HB3 ASN A 164 33.254 -12.945 -8.711 1.00 0.00 H new ATOM 0 HD21 ASN A 164 36.445 -11.805 -7.440 1.00 0.00 H new ATOM 0 HD22 ASN A 164 35.580 -12.245 -8.916 1.00 0.00 H new ATOM 428 N ARG A 165 33.255 -8.441 -8.889 1.00 0.00 N ATOM 429 CA ARG A 165 33.229 -7.131 -8.255 1.00 0.00 C ATOM 430 C ARG A 165 31.829 -6.545 -8.404 1.00 0.00 C ATOM 431 O ARG A 165 31.601 -5.659 -9.225 1.00 0.00 O ATOM 432 CB ARG A 165 34.281 -6.220 -8.896 1.00 0.00 C ATOM 433 CG ARG A 165 35.683 -6.772 -8.620 1.00 0.00 C ATOM 434 CD ARG A 165 36.728 -5.882 -9.300 1.00 0.00 C ATOM 435 NE ARG A 165 38.092 -6.343 -8.997 1.00 0.00 N ATOM 436 CZ ARG A 165 38.722 -6.077 -7.836 1.00 0.00 C ATOM 437 NH1 ARG A 165 38.105 -5.376 -6.875 1.00 0.00 N ATOM 438 NH2 ARG A 165 39.972 -6.518 -7.642 1.00 0.00 N ATOM 0 H ARG A 165 33.668 -8.448 -9.822 1.00 0.00 H new ATOM 0 HA ARG A 165 33.467 -7.219 -7.195 1.00 0.00 H new ATOM 0 HB2 ARG A 165 34.111 -6.153 -9.971 1.00 0.00 H new ATOM 0 HB3 ARG A 165 34.193 -5.210 -8.496 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.865 -6.809 -7.546 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.763 -7.793 -8.992 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.570 -5.888 -10.378 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.606 -4.852 -8.966 1.00 0.00 H new ATOM 0 HE ARG A 165 38.586 -6.892 -9.701 1.00 0.00 H new ATOM 0 HH11 ARG A 165 37.153 -5.040 -7.020 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.588 -5.178 -5.998 1.00 0.00 H new ATOM 0 HH21 ARG A 165 40.443 -7.053 -8.372 1.00 0.00 H new ATOM 0 HH22 ARG A 165 40.453 -6.319 -6.765 1.00 0.00 H new ATOM 452 N TRP A 166 30.892 -7.063 -7.606 1.00 0.00 N ATOM 453 CA TRP A 166 29.499 -6.646 -7.649 1.00 0.00 C ATOM 454 C TRP A 166 29.361 -5.132 -7.486 1.00 0.00 C ATOM 455 O TRP A 166 28.474 -4.531 -8.089 1.00 0.00 O ATOM 456 CB TRP A 166 28.730 -7.400 -6.572 1.00 0.00 C ATOM 457 CG TRP A 166 28.542 -8.856 -6.871 1.00 0.00 C ATOM 458 CD1 TRP A 166 28.970 -9.878 -6.112 1.00 0.00 C ATOM 459 CD2 TRP A 166 27.887 -9.482 -8.020 1.00 0.00 C ATOM 460 NE1 TRP A 166 28.619 -11.085 -6.661 1.00 0.00 N ATOM 461 CE2 TRP A 166 27.936 -10.901 -7.848 1.00 0.00 C ATOM 462 CE3 TRP A 166 27.255 -9.003 -9.191 1.00 0.00 C ATOM 463 CZ2 TRP A 166 27.372 -11.786 -8.768 1.00 0.00 C ATOM 464 CZ3 TRP A 166 26.697 -9.898 -10.132 1.00 0.00 C ATOM 465 CH2 TRP A 166 26.750 -11.284 -9.914 1.00 0.00 C ATOM 0 H TRP A 166 31.084 -7.785 -6.912 1.00 0.00 H new ATOM 0 HA TRP A 166 29.079 -6.887 -8.626 1.00 0.00 H new ATOM 0 HB2 TRP A 166 29.257 -7.299 -5.624 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.752 -6.936 -6.444 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.519 -9.764 -5.189 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.833 -11.994 -6.250 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.198 -7.939 -9.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.416 -12.851 -8.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.227 -9.513 -11.025 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.310 -11.961 -10.631 1.00 0.00 H new ATOM 476 N ALA A 167 30.238 -4.516 -6.687 1.00 0.00 N ATOM 477 CA ALA A 167 30.211 -3.074 -6.485 1.00 0.00 C ATOM 478 C ALA A 167 30.362 -2.354 -7.829 1.00 0.00 C ATOM 479 O ALA A 167 29.684 -1.359 -8.083 1.00 0.00 O ATOM 480 CB ALA A 167 31.338 -2.679 -5.530 1.00 0.00 C ATOM 0 H ALA A 167 30.974 -4.999 -6.172 1.00 0.00 H new ATOM 0 HA ALA A 167 29.256 -2.781 -6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.322 -1.600 -5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.199 -3.185 -4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.297 -2.970 -5.959 1.00 0.00 H new ATOM 486 N GLU A 168 31.255 -2.866 -8.688 1.00 0.00 N ATOM 487 CA GLU A 168 31.502 -2.276 -9.996 1.00 0.00 C ATOM 488 C GLU A 168 30.405 -2.680 -10.977 1.00 0.00 C ATOM 489 O GLU A 168 29.959 -1.858 -11.775 1.00 0.00 O ATOM 490 CB GLU A 168 32.874 -2.738 -10.509 1.00 0.00 C ATOM 491 CG GLU A 168 33.978 -1.851 -9.928 1.00 0.00 C ATOM 492 CD GLU A 168 33.949 -0.473 -10.572 1.00 0.00 C ATOM 493 OE1 GLU A 168 34.337 -0.391 -11.758 1.00 0.00 O ATOM 494 OE2 GLU A 168 33.526 0.477 -9.878 1.00 0.00 O ATOM 0 H GLU A 168 31.818 -3.693 -8.491 1.00 0.00 H new ATOM 0 HA GLU A 168 31.497 -1.190 -9.908 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.045 -3.777 -10.227 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.897 -2.695 -11.598 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.848 -1.758 -8.850 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.950 -2.315 -10.093 1.00 0.00 H new ATOM 501 N ILE A 169 29.981 -3.947 -10.924 1.00 0.00 N ATOM 502 CA ILE A 169 28.963 -4.466 -11.830 1.00 0.00 C ATOM 503 C ILE A 169 27.656 -3.686 -11.680 1.00 0.00 C ATOM 504 O ILE A 169 27.048 -3.304 -12.681 1.00 0.00 O ATOM 505 CB ILE A 169 28.743 -5.957 -11.539 1.00 0.00 C ATOM 506 CG1 ILE A 169 29.983 -6.753 -11.984 1.00 0.00 C ATOM 507 CG2 ILE A 169 27.504 -6.457 -12.295 1.00 0.00 C ATOM 508 CD1 ILE A 169 30.053 -8.087 -11.237 1.00 0.00 C ATOM 0 H ILE A 169 30.333 -4.633 -10.256 1.00 0.00 H new ATOM 0 HA ILE A 169 29.302 -4.347 -12.859 1.00 0.00 H new ATOM 0 HB ILE A 169 28.587 -6.099 -10.470 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.943 -6.932 -13.059 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.885 -6.172 -11.791 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.352 -7.516 -12.085 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.629 -5.894 -11.972 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.650 -6.317 -13.366 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.935 -8.640 -11.561 1.00 0.00 H new ATOM 0 HD12 ILE A 169 30.116 -7.901 -10.165 1.00 0.00 H new ATOM 0 HD13 ILE A 169 29.159 -8.672 -11.452 1.00 0.00 H new ATOM 520 N ALA A 170 27.216 -3.453 -10.438 1.00 0.00 N ATOM 521 CA ALA A 170 25.960 -2.760 -10.187 1.00 0.00 C ATOM 522 C ALA A 170 25.998 -1.325 -10.709 1.00 0.00 C ATOM 523 O ALA A 170 24.950 -0.709 -10.867 1.00 0.00 O ATOM 524 CB ALA A 170 25.636 -2.777 -8.703 1.00 0.00 C ATOM 0 H ALA A 170 27.716 -3.737 -9.595 1.00 0.00 H new ATOM 0 HA ALA A 170 25.174 -3.288 -10.727 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.695 -2.255 -8.530 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.547 -3.808 -8.362 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.433 -2.279 -8.151 1.00 0.00 H new ATOM 530 N LYS A 171 27.193 -0.789 -10.989 1.00 0.00 N ATOM 531 CA LYS A 171 27.311 0.551 -11.542 1.00 0.00 C ATOM 532 C LYS A 171 26.587 0.601 -12.891 1.00 0.00 C ATOM 533 O LYS A 171 26.100 1.654 -13.298 1.00 0.00 O ATOM 534 CB LYS A 171 28.790 0.911 -11.698 1.00 0.00 C ATOM 535 CG LYS A 171 28.937 2.409 -11.984 1.00 0.00 C ATOM 536 CD LYS A 171 30.380 2.861 -11.714 1.00 0.00 C ATOM 537 CE LYS A 171 31.362 2.114 -12.629 1.00 0.00 C ATOM 538 NZ LYS A 171 31.823 0.856 -12.011 1.00 0.00 N ATOM 0 H LYS A 171 28.082 -1.266 -10.840 1.00 0.00 H new ATOM 0 HA LYS A 171 26.852 1.278 -10.872 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.334 0.651 -10.790 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.230 0.332 -12.510 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.671 2.617 -13.020 1.00 0.00 H new ATOM 0 HG3 LYS A 171 28.247 2.976 -11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 171 30.467 3.935 -11.878 1.00 0.00 H new ATOM 0 HD3 LYS A 171 30.635 2.677 -10.670 1.00 0.00 H new ATOM 0 HE2 LYS A 171 30.880 1.898 -13.583 1.00 0.00 H new ATOM 0 HE3 LYS A 171 32.220 2.752 -12.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.757 0.604 -12.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 31.892 0.980 -10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 31.146 0.096 -12.224 1.00 0.00 H new ATOM 552 N LEU A 172 26.514 -0.554 -13.573 1.00 0.00 N ATOM 553 CA LEU A 172 25.833 -0.666 -14.853 1.00 0.00 C ATOM 554 C LEU A 172 24.341 -0.935 -14.628 1.00 0.00 C ATOM 555 O LEU A 172 23.525 -0.667 -15.508 1.00 0.00 O ATOM 556 CB LEU A 172 26.459 -1.809 -15.669 1.00 0.00 C ATOM 557 CG LEU A 172 27.986 -1.639 -15.769 1.00 0.00 C ATOM 558 CD1 LEU A 172 28.569 -2.814 -16.555 1.00 0.00 C ATOM 559 CD2 LEU A 172 28.327 -0.329 -16.484 1.00 0.00 C ATOM 0 H LEU A 172 26.927 -1.427 -13.246 1.00 0.00 H new ATOM 0 HA LEU A 172 25.942 0.268 -15.404 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.225 -2.766 -15.202 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.025 -1.828 -16.669 1.00 0.00 H new ATOM 0 HG LEU A 172 28.411 -1.614 -14.765 1.00 0.00 H new ATOM 0 HD11 LEU A 172 29.650 -2.701 -16.630 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.337 -3.747 -16.041 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.136 -2.833 -17.555 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.410 -0.221 -16.548 1.00 0.00 H new ATOM 0 HD22 LEU A 172 27.903 -0.342 -17.488 1.00 0.00 H new ATOM 0 HD23 LEU A 172 27.911 0.509 -15.925 1.00 0.00 H new ATOM 571 N LEU A 173 23.983 -1.467 -13.446 1.00 0.00 N ATOM 572 CA LEU A 173 22.597 -1.775 -13.125 1.00 0.00 C ATOM 573 C LEU A 173 21.870 -0.490 -12.707 1.00 0.00 C ATOM 574 O LEU A 173 22.483 0.401 -12.122 1.00 0.00 O ATOM 575 CB LEU A 173 22.543 -2.830 -12.012 1.00 0.00 C ATOM 576 CG LEU A 173 23.213 -4.139 -12.478 1.00 0.00 C ATOM 577 CD1 LEU A 173 23.147 -5.170 -11.351 1.00 0.00 C ATOM 578 CD2 LEU A 173 22.493 -4.698 -13.712 1.00 0.00 C ATOM 0 H LEU A 173 24.644 -1.690 -12.702 1.00 0.00 H new ATOM 0 HA LEU A 173 22.096 -2.183 -14.003 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.046 -2.454 -11.121 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.507 -3.023 -11.735 1.00 0.00 H new ATOM 0 HG LEU A 173 24.251 -3.930 -12.736 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.620 -6.096 -11.677 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.669 -4.785 -10.475 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.105 -5.364 -11.096 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.978 -5.622 -14.029 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.451 -4.901 -13.464 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.538 -3.969 -14.521 1.00 0.00 H new ATOM 590 N PRO A 174 20.557 -0.385 -13.013 1.00 0.00 N ATOM 591 CA PRO A 174 19.769 0.790 -12.687 1.00 0.00 C ATOM 592 C PRO A 174 19.761 1.048 -11.180 1.00 0.00 C ATOM 593 O PRO A 174 20.032 2.163 -10.741 1.00 0.00 O ATOM 594 CB PRO A 174 18.356 0.508 -13.211 1.00 0.00 C ATOM 595 CG PRO A 174 18.360 -0.926 -13.756 1.00 0.00 C ATOM 596 CD PRO A 174 19.805 -1.419 -13.695 1.00 0.00 C ATOM 0 HA PRO A 174 20.187 1.687 -13.143 1.00 0.00 H new ATOM 0 HB2 PRO A 174 17.620 0.616 -12.414 1.00 0.00 H new ATOM 0 HB3 PRO A 174 18.086 1.217 -13.993 1.00 0.00 H new ATOM 0 HG2 PRO A 174 17.708 -1.567 -13.162 1.00 0.00 H new ATOM 0 HG3 PRO A 174 17.986 -0.951 -14.780 1.00 0.00 H new ATOM 0 HD2 PRO A 174 19.871 -2.366 -13.159 1.00 0.00 H new ATOM 0 HD3 PRO A 174 20.200 -1.591 -14.696 1.00 0.00 H new ATOM 604 N GLY A 175 19.447 0.016 -10.392 1.00 0.00 N ATOM 605 CA GLY A 175 19.398 0.140 -8.945 1.00 0.00 C ATOM 606 C GLY A 175 19.240 -1.233 -8.310 1.00 0.00 C ATOM 607 O GLY A 175 18.148 -1.598 -7.880 1.00 0.00 O ATOM 0 H GLY A 175 19.223 -0.916 -10.741 1.00 0.00 H new ATOM 0 HA2 GLY A 175 20.309 0.615 -8.581 1.00 0.00 H new ATOM 0 HA3 GLY A 175 18.566 0.782 -8.655 1.00 0.00 H new ATOM 611 N ARG A 176 20.341 -1.990 -8.255 1.00 0.00 N ATOM 612 CA ARG A 176 20.352 -3.319 -7.664 1.00 0.00 C ATOM 613 C ARG A 176 21.473 -3.386 -6.630 1.00 0.00 C ATOM 614 O ARG A 176 22.619 -3.069 -6.940 1.00 0.00 O ATOM 615 CB ARG A 176 20.573 -4.368 -8.762 1.00 0.00 C ATOM 616 CG ARG A 176 19.415 -4.359 -9.772 1.00 0.00 C ATOM 617 CD ARG A 176 18.116 -4.821 -9.096 1.00 0.00 C ATOM 618 NE ARG A 176 17.297 -5.627 -10.016 1.00 0.00 N ATOM 619 CZ ARG A 176 16.750 -5.139 -11.143 1.00 0.00 C ATOM 620 NH1 ARG A 176 16.831 -3.838 -11.430 1.00 0.00 N ATOM 621 NH2 ARG A 176 16.118 -5.960 -11.987 1.00 0.00 N ATOM 0 H ARG A 176 21.246 -1.693 -8.621 1.00 0.00 H new ATOM 0 HA ARG A 176 19.398 -3.523 -7.177 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.512 -4.168 -9.278 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.661 -5.357 -8.313 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.285 -3.356 -10.178 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.650 -5.014 -10.611 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.353 -5.406 -8.208 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.547 -3.953 -8.763 1.00 0.00 H new ATOM 0 HE ARG A 176 17.136 -6.608 -9.786 1.00 0.00 H new ATOM 0 HH11 ARG A 176 17.311 -3.204 -10.792 1.00 0.00 H new ATOM 0 HH12 ARG A 176 16.413 -3.478 -12.288 1.00 0.00 H new ATOM 0 HH21 ARG A 176 16.051 -6.956 -11.776 1.00 0.00 H new ATOM 0 HH22 ARG A 176 15.703 -5.591 -12.842 1.00 0.00 H new ATOM 635 N THR A 177 21.142 -3.796 -5.401 1.00 0.00 N ATOM 636 CA THR A 177 22.123 -3.896 -4.329 1.00 0.00 C ATOM 637 C THR A 177 22.913 -5.198 -4.473 1.00 0.00 C ATOM 638 O THR A 177 22.383 -6.187 -4.972 1.00 0.00 O ATOM 639 CB THR A 177 21.397 -3.844 -2.979 1.00 0.00 C ATOM 640 OG1 THR A 177 20.310 -2.945 -3.058 1.00 0.00 O ATOM 641 CG2 THR A 177 22.361 -3.373 -1.889 1.00 0.00 C ATOM 0 H THR A 177 20.196 -4.064 -5.129 1.00 0.00 H new ATOM 0 HA THR A 177 22.824 -3.063 -4.385 1.00 0.00 H new ATOM 0 HB THR A 177 21.031 -4.841 -2.734 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.847 -2.915 -2.195 1.00 0.00 H new ATOM 0 HG21 THR A 177 21.840 -3.338 -0.932 1.00 0.00 H new ATOM 0 HG22 THR A 177 23.199 -4.066 -1.820 1.00 0.00 H new ATOM 0 HG23 THR A 177 22.732 -2.378 -2.136 1.00 0.00 H new ATOM 649 N ASP A 178 24.180 -5.191 -4.034 1.00 0.00 N ATOM 650 CA ASP A 178 25.047 -6.363 -4.113 1.00 0.00 C ATOM 651 C ASP A 178 24.340 -7.592 -3.540 1.00 0.00 C ATOM 652 O ASP A 178 24.272 -8.632 -4.194 1.00 0.00 O ATOM 653 CB ASP A 178 26.346 -6.088 -3.345 1.00 0.00 C ATOM 654 CG ASP A 178 27.038 -4.833 -3.863 1.00 0.00 C ATOM 655 OD1 ASP A 178 26.496 -3.737 -3.601 1.00 0.00 O ATOM 656 OD2 ASP A 178 28.094 -4.994 -4.511 1.00 0.00 O ATOM 0 H ASP A 178 24.626 -4.374 -3.617 1.00 0.00 H new ATOM 0 HA ASP A 178 25.282 -6.564 -5.158 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.127 -5.973 -2.283 1.00 0.00 H new ATOM 0 HB3 ASP A 178 27.016 -6.942 -3.442 1.00 0.00 H new ATOM 661 N ASN A 179 23.817 -7.469 -2.316 1.00 0.00 N ATOM 662 CA ASN A 179 23.132 -8.568 -1.644 1.00 0.00 C ATOM 663 C ASN A 179 22.009 -9.121 -2.526 1.00 0.00 C ATOM 664 O ASN A 179 21.897 -10.333 -2.696 1.00 0.00 O ATOM 665 CB ASN A 179 22.571 -8.073 -0.308 1.00 0.00 C ATOM 666 CG ASN A 179 23.694 -7.644 0.630 1.00 0.00 C ATOM 667 OD1 ASN A 179 24.410 -8.483 1.169 1.00 0.00 O ATOM 668 ND2 ASN A 179 23.849 -6.333 0.823 1.00 0.00 N ATOM 0 H ASN A 179 23.858 -6.609 -1.769 1.00 0.00 H new ATOM 0 HA ASN A 179 23.842 -9.374 -1.459 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.896 -7.235 -0.481 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.984 -8.863 0.159 1.00 0.00 H new ATOM 0 HD21 ASN A 179 24.586 -5.992 1.440 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.230 -5.672 0.354 1.00 0.00 H new ATOM 675 N ALA A 180 21.180 -8.230 -3.081 1.00 0.00 N ATOM 676 CA ALA A 180 20.066 -8.634 -3.927 1.00 0.00 C ATOM 677 C ALA A 180 20.580 -9.324 -5.190 1.00 0.00 C ATOM 678 O ALA A 180 20.013 -10.324 -5.625 1.00 0.00 O ATOM 679 CB ALA A 180 19.235 -7.405 -4.288 1.00 0.00 C ATOM 0 H ALA A 180 21.265 -7.221 -2.955 1.00 0.00 H new ATOM 0 HA ALA A 180 19.440 -9.343 -3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.400 -7.704 -4.922 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.853 -6.944 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.858 -6.689 -4.823 1.00 0.00 H new ATOM 685 N ILE A 181 21.653 -8.788 -5.780 1.00 0.00 N ATOM 686 CA ILE A 181 22.228 -9.349 -6.991 1.00 0.00 C ATOM 687 C ILE A 181 22.696 -10.764 -6.738 1.00 0.00 C ATOM 688 O ILE A 181 22.434 -11.639 -7.535 1.00 0.00 O ATOM 689 CB ILE A 181 23.397 -8.487 -7.460 1.00 0.00 C ATOM 690 CG1 ILE A 181 22.850 -7.195 -8.039 1.00 0.00 C ATOM 691 CG2 ILE A 181 24.185 -9.232 -8.530 1.00 0.00 C ATOM 692 CD1 ILE A 181 23.922 -6.106 -7.994 1.00 0.00 C ATOM 0 H ILE A 181 22.138 -7.962 -5.430 1.00 0.00 H new ATOM 0 HA ILE A 181 21.465 -9.366 -7.769 1.00 0.00 H new ATOM 0 HB ILE A 181 24.056 -8.268 -6.620 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.527 -7.356 -9.067 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.973 -6.877 -7.475 1.00 0.00 H new ATOM 0 HG21 ILE A 181 25.019 -8.615 -8.863 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.567 -10.166 -8.117 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.534 -9.449 -9.376 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.520 -5.183 -8.412 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.224 -5.936 -6.961 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.787 -6.422 -8.578 1.00 0.00 H new ATOM 704 N LYS A 182 23.392 -10.983 -5.629 1.00 0.00 N ATOM 705 CA LYS A 182 23.885 -12.300 -5.285 1.00 0.00 C ATOM 706 C LYS A 182 22.728 -13.224 -5.004 1.00 0.00 C ATOM 707 O LYS A 182 22.736 -14.366 -5.446 1.00 0.00 O ATOM 708 CB LYS A 182 24.769 -12.193 -4.070 1.00 0.00 C ATOM 709 CG LYS A 182 26.114 -11.620 -4.484 1.00 0.00 C ATOM 710 CD LYS A 182 26.679 -10.781 -3.333 1.00 0.00 C ATOM 711 CE LYS A 182 26.674 -11.595 -2.025 1.00 0.00 C ATOM 712 NZ LYS A 182 27.644 -12.704 -2.083 1.00 0.00 N ATOM 0 H LYS A 182 23.626 -10.257 -4.952 1.00 0.00 H new ATOM 0 HA LYS A 182 24.460 -12.705 -6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 182 24.302 -11.554 -3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.902 -13.174 -3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 182 26.804 -12.425 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.002 -11.005 -5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.695 -10.465 -3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 182 26.085 -9.876 -3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.914 -10.942 -1.186 1.00 0.00 H new ATOM 0 HE3 LYS A 182 25.675 -11.991 -1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 27.631 -13.224 -1.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 27.389 -13.348 -2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 28.597 -12.323 -2.249 1.00 0.00 H new ATOM 726 N ASN A 183 21.727 -12.734 -4.270 1.00 0.00 N ATOM 727 CA ASN A 183 20.565 -13.533 -3.965 1.00 0.00 C ATOM 728 C ASN A 183 19.929 -13.989 -5.282 1.00 0.00 C ATOM 729 O ASN A 183 19.447 -15.111 -5.393 1.00 0.00 O ATOM 730 CB ASN A 183 19.576 -12.718 -3.131 1.00 0.00 C ATOM 731 CG ASN A 183 18.296 -13.508 -2.879 1.00 0.00 C ATOM 732 OD1 ASN A 183 17.235 -13.154 -3.386 1.00 0.00 O ATOM 733 ND2 ASN A 183 18.397 -14.581 -2.093 1.00 0.00 N ATOM 0 H ASN A 183 21.708 -11.791 -3.883 1.00 0.00 H new ATOM 0 HA ASN A 183 20.850 -14.409 -3.382 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.034 -12.446 -2.180 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.338 -11.788 -3.648 1.00 0.00 H new ATOM 0 HD21 ASN A 183 17.571 -15.145 -1.892 1.00 0.00 H new ATOM 0 HD22 ASN A 183 19.300 -14.837 -1.693 1.00 0.00 H new ATOM 740 N HIS A 184 19.948 -13.095 -6.283 1.00 0.00 N ATOM 741 CA HIS A 184 19.414 -13.383 -7.603 1.00 0.00 C ATOM 742 C HIS A 184 20.380 -14.285 -8.382 1.00 0.00 C ATOM 743 O HIS A 184 19.948 -15.154 -9.135 1.00 0.00 O ATOM 744 CB HIS A 184 19.216 -12.062 -8.366 1.00 0.00 C ATOM 745 CG HIS A 184 18.518 -12.271 -9.682 1.00 0.00 C ATOM 746 ND1 HIS A 184 17.234 -12.793 -9.785 1.00 0.00 N ATOM 747 CD2 HIS A 184 18.912 -12.050 -10.977 1.00 0.00 C ATOM 748 CE1 HIS A 184 16.943 -12.848 -11.102 1.00 0.00 C ATOM 749 NE2 HIS A 184 17.929 -12.407 -11.883 1.00 0.00 N ATOM 0 H HIS A 184 20.336 -12.156 -6.190 1.00 0.00 H new ATOM 0 HA HIS A 184 18.459 -13.899 -7.498 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.635 -11.373 -7.753 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.185 -11.595 -8.540 1.00 0.00 H new ATOM 0 HD2 HIS A 184 19.874 -11.646 -11.256 1.00 0.00 H new ATOM 0 HE1 HIS A 184 16.002 -13.214 -11.486 1.00 0.00 H new ATOM 0 HE2 HIS A 184 17.953 -12.347 -12.901 1.00 0.00 H new ATOM 757 N TRP A 185 21.688 -14.055 -8.216 1.00 0.00 N ATOM 758 CA TRP A 185 22.703 -14.762 -8.974 1.00 0.00 C ATOM 759 C TRP A 185 22.788 -16.228 -8.555 1.00 0.00 C ATOM 760 O TRP A 185 22.649 -17.119 -9.387 1.00 0.00 O ATOM 761 CB TRP A 185 24.063 -14.074 -8.817 1.00 0.00 C ATOM 762 CG TRP A 185 25.107 -14.620 -9.734 1.00 0.00 C ATOM 763 CD1 TRP A 185 26.138 -15.400 -9.381 1.00 0.00 C ATOM 764 CD2 TRP A 185 25.219 -14.460 -11.175 1.00 0.00 C ATOM 765 NE1 TRP A 185 26.888 -15.750 -10.477 1.00 0.00 N ATOM 766 CE2 TRP A 185 26.359 -15.195 -11.626 1.00 0.00 C ATOM 767 CE3 TRP A 185 24.471 -13.775 -12.157 1.00 0.00 C ATOM 768 CZ2 TRP A 185 26.725 -15.252 -12.970 1.00 0.00 C ATOM 769 CZ3 TRP A 185 24.839 -13.830 -13.516 1.00 0.00 C ATOM 770 CH2 TRP A 185 25.957 -14.575 -13.919 1.00 0.00 C ATOM 0 H TRP A 185 22.062 -13.375 -7.554 1.00 0.00 H new ATOM 0 HA TRP A 185 22.418 -14.734 -10.026 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.947 -13.006 -9.004 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.401 -14.182 -7.786 1.00 0.00 H new ATOM 0 HD1 TRP A 185 26.351 -15.712 -8.369 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.721 -16.338 -10.447 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.605 -13.201 -11.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.595 -15.815 -13.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 24.257 -13.295 -14.252 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.224 -14.625 -14.964 1.00 0.00 H new ATOM 781 N ASN A 186 23.032 -16.475 -7.268 1.00 0.00 N ATOM 782 CA ASN A 186 23.193 -17.826 -6.752 1.00 0.00 C ATOM 783 C ASN A 186 21.903 -18.641 -6.910 1.00 0.00 C ATOM 784 O ASN A 186 21.957 -19.870 -6.931 1.00 0.00 O ATOM 785 CB ASN A 186 23.621 -17.755 -5.278 1.00 0.00 C ATOM 786 CG ASN A 186 22.413 -17.758 -4.339 1.00 0.00 C ATOM 787 OD1 ASN A 186 22.197 -18.875 -3.644 1.00 0.00 O flip ATOM 788 ND2 ASN A 186 21.693 -16.772 -4.247 1.00 0.00 N flip ATOM 0 H ASN A 186 23.122 -15.746 -6.561 1.00 0.00 H new ATOM 0 HA ASN A 186 23.966 -18.335 -7.328 1.00 0.00 H new ATOM 0 HB2 ASN A 186 24.266 -18.602 -5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 186 24.209 -16.852 -5.112 1.00 0.00 H new ATOM 0 HD21 ASN A 186 21.897 -15.939 -4.799 1.00 0.00 H new ATOM 0 HD22 ASN A 186 20.889 -16.784 -3.619 1.00 0.00 H new ATOM 795 N SER A 187 20.750 -17.965 -7.009 1.00 0.00 N ATOM 796 CA SER A 187 19.467 -18.643 -7.125 1.00 0.00 C ATOM 797 C SER A 187 19.102 -18.884 -8.595 1.00 0.00 C ATOM 798 O SER A 187 18.972 -20.033 -9.018 1.00 0.00 O ATOM 799 CB SER A 187 18.393 -17.802 -6.431 1.00 0.00 C ATOM 800 OG SER A 187 17.180 -18.523 -6.399 1.00 0.00 O ATOM 0 H SER A 187 20.688 -16.947 -7.010 1.00 0.00 H new ATOM 0 HA SER A 187 19.533 -19.618 -6.642 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.708 -17.554 -5.417 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.255 -16.860 -6.961 1.00 0.00 H new ATOM 0 HG SER A 187 16.492 -17.986 -5.953 1.00 0.00 H new ATOM 806 N THR A 188 18.924 -17.803 -9.365 1.00 0.00 N ATOM 807 CA THR A 188 18.484 -17.901 -10.750 1.00 0.00 C ATOM 808 C THR A 188 19.637 -18.278 -11.673 1.00 0.00 C ATOM 809 O THR A 188 19.549 -19.265 -12.403 1.00 0.00 O ATOM 810 CB THR A 188 17.856 -16.564 -11.173 1.00 0.00 C ATOM 811 OG1 THR A 188 16.915 -16.157 -10.199 1.00 0.00 O ATOM 812 CG2 THR A 188 17.152 -16.721 -12.522 1.00 0.00 C ATOM 0 H THR A 188 19.081 -16.848 -9.044 1.00 0.00 H new ATOM 0 HA THR A 188 17.739 -18.692 -10.830 1.00 0.00 H new ATOM 0 HB THR A 188 18.641 -15.814 -11.263 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.378 -15.694 -9.470 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.710 -15.769 -12.815 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.875 -17.032 -13.276 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.369 -17.474 -12.438 1.00 0.00 H new ATOM 820 N MET A 189 20.714 -17.496 -11.648 1.00 0.00 N ATOM 821 CA MET A 189 21.861 -17.730 -12.514 1.00 0.00 C ATOM 822 C MET A 189 22.768 -18.818 -11.926 1.00 0.00 C ATOM 823 O MET A 189 23.985 -18.650 -11.874 1.00 0.00 O ATOM 824 CB MET A 189 22.614 -16.413 -12.670 1.00 0.00 C ATOM 825 CG MET A 189 21.876 -15.499 -13.645 1.00 0.00 C ATOM 826 SD MET A 189 22.231 -15.852 -15.387 1.00 0.00 S ATOM 827 CE MET A 189 21.164 -14.610 -16.152 1.00 0.00 C ATOM 0 H MET A 189 20.814 -16.690 -11.031 1.00 0.00 H new ATOM 0 HA MET A 189 21.529 -18.081 -13.491 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.709 -15.923 -11.701 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.624 -16.603 -13.032 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.803 -15.593 -13.476 1.00 0.00 H new ATOM 0 HG3 MET A 189 22.143 -14.464 -13.432 1.00 0.00 H new ATOM 0 HE1 MET A 189 21.290 -14.639 -17.234 1.00 0.00 H new ATOM 0 HE2 MET A 189 20.124 -14.820 -15.902 1.00 0.00 H new ATOM 0 HE3 MET A 189 21.434 -13.621 -15.782 1.00 0.00 H new