USER MOD reduce.3.24.130724 H: found=0, std=0, add=354, rem=0, adj=8 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 HE2:sc= -1.28 X(o=-0.46,f=-0.82) USER MOD Set 1.2: A 187 SER OG : rot -79:sc= 0.237 USER MOD Set 1.3: A 188 THR OG1 : rot 83:sc= 0.586 USER MOD Set 2.1: A 159 HIS :FLIP no HE2:sc= -0.964 F(o=-2.5,f=-1.1) USER MOD Set 2.2: A 164 ASN : amide:sc= -0.12 K(o=-1.1,f=-3) USER MOD Set 3.1: A 156 TYR OH : rot 180:sc= 0.745 USER MOD Set 3.2: A 160 LYS NZ :NH3+ -135:sc= 1 (180deg=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.5) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 ASN : amide:sc=-0.00651 X(o=-0.0065,f=-0.0065) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 183 ASN : amide:sc= -0.245 K(o=-0.24,f=-1.8!) USER MOD Single : A 186 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 189 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N TRP A 147 12.826 -9.495 -12.447 1.00 0.00 N ATOM 121 CA TRP A 147 13.936 -9.110 -13.303 1.00 0.00 C ATOM 122 C TRP A 147 13.499 -9.179 -14.767 1.00 0.00 C ATOM 123 O TRP A 147 12.384 -9.609 -15.063 1.00 0.00 O ATOM 124 CB TRP A 147 15.124 -10.033 -13.024 1.00 0.00 C ATOM 125 CG TRP A 147 15.847 -9.738 -11.747 1.00 0.00 C ATOM 126 CD1 TRP A 147 15.348 -9.874 -10.505 1.00 0.00 C ATOM 127 CD2 TRP A 147 17.210 -9.250 -11.560 1.00 0.00 C ATOM 128 NE1 TRP A 147 16.272 -9.502 -9.559 1.00 0.00 N ATOM 129 CE2 TRP A 147 17.450 -9.100 -10.157 1.00 0.00 C ATOM 130 CE3 TRP A 147 18.272 -8.915 -12.429 1.00 0.00 C ATOM 131 CZ2 TRP A 147 18.667 -8.639 -9.652 1.00 0.00 C ATOM 132 CZ3 TRP A 147 19.502 -8.446 -11.922 1.00 0.00 C ATOM 133 CH2 TRP A 147 19.697 -8.309 -10.538 1.00 0.00 C ATOM 0 HA TRP A 147 14.242 -8.085 -13.094 1.00 0.00 H new ATOM 0 HB2 TRP A 147 14.770 -11.064 -12.998 1.00 0.00 H new ATOM 0 HB3 TRP A 147 15.829 -9.959 -13.852 1.00 0.00 H new ATOM 0 HD1 TRP A 147 14.353 -10.229 -10.281 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.110 -9.520 -8.552 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.141 -9.019 -13.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.812 -8.538 -8.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.300 -8.190 -12.603 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.642 -7.949 -10.158 1.00 0.00 H new ATOM 144 N THR A 148 14.380 -8.748 -15.679 1.00 0.00 N ATOM 145 CA THR A 148 14.080 -8.735 -17.105 1.00 0.00 C ATOM 146 C THR A 148 15.269 -9.267 -17.897 1.00 0.00 C ATOM 147 O THR A 148 16.397 -9.267 -17.410 1.00 0.00 O ATOM 148 CB THR A 148 13.744 -7.302 -17.539 1.00 0.00 C ATOM 149 OG1 THR A 148 14.719 -6.412 -17.035 1.00 0.00 O ATOM 150 CG2 THR A 148 12.369 -6.904 -17.000 1.00 0.00 C ATOM 0 H THR A 148 15.311 -8.403 -15.446 1.00 0.00 H new ATOM 0 HA THR A 148 13.223 -9.379 -17.302 1.00 0.00 H new ATOM 0 HB THR A 148 13.733 -7.254 -18.628 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.503 -5.498 -17.315 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.137 -5.886 -17.312 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.613 -7.585 -17.392 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.376 -6.958 -15.911 1.00 0.00 H new ATOM 158 N GLU A 149 14.994 -9.715 -19.130 1.00 0.00 N ATOM 159 CA GLU A 149 16.008 -10.259 -20.026 1.00 0.00 C ATOM 160 C GLU A 149 17.238 -9.348 -20.074 1.00 0.00 C ATOM 161 O GLU A 149 18.363 -9.825 -19.979 1.00 0.00 O ATOM 162 CB GLU A 149 15.391 -10.415 -21.427 1.00 0.00 C ATOM 163 CG GLU A 149 15.523 -11.863 -21.905 1.00 0.00 C ATOM 164 CD GLU A 149 16.964 -12.193 -22.274 1.00 0.00 C ATOM 165 OE1 GLU A 149 17.584 -11.357 -22.966 1.00 0.00 O ATOM 166 OE2 GLU A 149 17.423 -13.278 -21.866 1.00 0.00 O ATOM 0 H GLU A 149 14.056 -9.707 -19.530 1.00 0.00 H new ATOM 0 HA GLU A 149 16.337 -11.231 -19.659 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.340 -10.127 -21.404 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.890 -9.746 -22.128 1.00 0.00 H new ATOM 0 HG2 GLU A 149 15.181 -12.540 -21.122 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.878 -12.024 -22.769 1.00 0.00 H new ATOM 173 N GLU A 150 17.015 -8.036 -20.225 1.00 0.00 N ATOM 174 CA GLU A 150 18.098 -7.063 -20.297 1.00 0.00 C ATOM 175 C GLU A 150 19.005 -7.174 -19.068 1.00 0.00 C ATOM 176 O GLU A 150 20.215 -7.359 -19.205 1.00 0.00 O ATOM 177 CB GLU A 150 17.493 -5.655 -20.408 1.00 0.00 C ATOM 178 CG GLU A 150 18.604 -4.618 -20.603 1.00 0.00 C ATOM 179 CD GLU A 150 18.019 -3.242 -20.898 1.00 0.00 C ATOM 180 OE1 GLU A 150 17.038 -2.882 -20.211 1.00 0.00 O ATOM 181 OE2 GLU A 150 18.563 -2.576 -21.805 1.00 0.00 O ATOM 0 H GLU A 150 16.083 -7.627 -20.300 1.00 0.00 H new ATOM 0 HA GLU A 150 18.712 -7.262 -21.176 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.797 -5.615 -21.246 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.923 -5.424 -19.508 1.00 0.00 H new ATOM 0 HG2 GLU A 150 19.223 -4.570 -19.707 1.00 0.00 H new ATOM 0 HG3 GLU A 150 19.253 -4.925 -21.423 1.00 0.00 H new ATOM 188 N GLU A 151 18.419 -7.057 -17.871 1.00 0.00 N ATOM 189 CA GLU A 151 19.174 -7.113 -16.626 1.00 0.00 C ATOM 190 C GLU A 151 19.930 -8.440 -16.515 1.00 0.00 C ATOM 191 O GLU A 151 21.133 -8.438 -16.294 1.00 0.00 O ATOM 192 CB GLU A 151 18.221 -6.936 -15.438 1.00 0.00 C ATOM 193 CG GLU A 151 17.716 -5.489 -15.375 1.00 0.00 C ATOM 194 CD GLU A 151 18.770 -4.572 -14.757 1.00 0.00 C ATOM 195 OE1 GLU A 151 18.899 -4.613 -13.511 1.00 0.00 O ATOM 196 OE2 GLU A 151 19.423 -3.850 -15.539 1.00 0.00 O ATOM 0 H GLU A 151 17.416 -6.922 -17.744 1.00 0.00 H new ATOM 0 HA GLU A 151 19.906 -6.305 -16.618 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.377 -7.619 -15.534 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.733 -7.191 -14.510 1.00 0.00 H new ATOM 0 HG2 GLU A 151 17.469 -5.142 -16.378 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.799 -5.444 -14.787 1.00 0.00 H new ATOM 203 N ASP A 152 19.222 -9.567 -16.660 1.00 0.00 N ATOM 204 CA ASP A 152 19.831 -10.893 -16.552 1.00 0.00 C ATOM 205 C ASP A 152 21.017 -11.019 -17.509 1.00 0.00 C ATOM 206 O ASP A 152 22.108 -11.419 -17.104 1.00 0.00 O ATOM 207 CB ASP A 152 18.782 -11.964 -16.880 1.00 0.00 C ATOM 208 CG ASP A 152 17.792 -12.146 -15.736 1.00 0.00 C ATOM 209 OD1 ASP A 152 17.249 -11.117 -15.287 1.00 0.00 O ATOM 210 OD2 ASP A 152 17.596 -13.315 -15.336 1.00 0.00 O ATOM 0 H ASP A 152 18.221 -9.583 -16.854 1.00 0.00 H new ATOM 0 HA ASP A 152 20.193 -11.033 -15.533 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.245 -11.683 -17.786 1.00 0.00 H new ATOM 0 HB3 ASP A 152 19.280 -12.912 -17.086 1.00 0.00 H new ATOM 215 N ARG A 153 20.791 -10.688 -18.780 1.00 0.00 N ATOM 216 CA ARG A 153 21.806 -10.797 -19.816 1.00 0.00 C ATOM 217 C ARG A 153 23.037 -9.959 -19.464 1.00 0.00 C ATOM 218 O ARG A 153 24.161 -10.465 -19.490 1.00 0.00 O ATOM 219 CB ARG A 153 21.188 -10.345 -21.144 1.00 0.00 C ATOM 220 CG ARG A 153 22.112 -10.704 -22.309 1.00 0.00 C ATOM 221 CD ARG A 153 21.320 -10.660 -23.619 1.00 0.00 C ATOM 222 NE ARG A 153 20.227 -11.647 -23.607 1.00 0.00 N ATOM 223 CZ ARG A 153 20.413 -12.962 -23.814 1.00 0.00 C ATOM 224 NH1 ARG A 153 21.617 -13.430 -24.166 1.00 0.00 N ATOM 225 NH2 ARG A 153 19.390 -13.810 -23.662 1.00 0.00 N ATOM 0 H ARG A 153 19.895 -10.336 -19.117 1.00 0.00 H new ATOM 0 HA ARG A 153 22.140 -11.831 -19.902 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.217 -10.820 -21.281 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.016 -9.269 -21.125 1.00 0.00 H new ATOM 0 HG2 ARG A 153 22.948 -10.006 -22.353 1.00 0.00 H new ATOM 0 HG3 ARG A 153 22.534 -11.698 -22.160 1.00 0.00 H new ATOM 0 HD2 ARG A 153 20.911 -9.661 -23.768 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.986 -10.860 -24.458 1.00 0.00 H new ATOM 0 HE ARG A 153 19.278 -11.315 -23.432 1.00 0.00 H new ATOM 0 HH11 ARG A 153 22.401 -12.787 -24.279 1.00 0.00 H new ATOM 0 HH12 ARG A 153 21.750 -14.429 -24.321 1.00 0.00 H new ATOM 0 HH21 ARG A 153 18.472 -13.458 -23.390 1.00 0.00 H new ATOM 0 HH22 ARG A 153 19.528 -14.808 -23.818 1.00 0.00 H new ATOM 239 N ILE A 154 22.828 -8.679 -19.137 1.00 0.00 N ATOM 240 CA ILE A 154 23.921 -7.781 -18.791 1.00 0.00 C ATOM 241 C ILE A 154 24.649 -8.298 -17.550 1.00 0.00 C ATOM 242 O ILE A 154 25.874 -8.275 -17.499 1.00 0.00 O ATOM 243 CB ILE A 154 23.360 -6.364 -18.554 1.00 0.00 C ATOM 244 CG1 ILE A 154 22.868 -5.756 -19.885 1.00 0.00 C ATOM 245 CG2 ILE A 154 24.437 -5.468 -17.930 1.00 0.00 C ATOM 246 CD1 ILE A 154 24.045 -5.266 -20.739 1.00 0.00 C ATOM 0 H ILE A 154 21.905 -8.246 -19.106 1.00 0.00 H new ATOM 0 HA ILE A 154 24.639 -7.740 -19.610 1.00 0.00 H new ATOM 0 HB ILE A 154 22.517 -6.431 -17.867 1.00 0.00 H new ATOM 0 HG12 ILE A 154 22.298 -6.501 -20.440 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.193 -4.925 -19.681 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.030 -4.470 -17.767 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.754 -5.891 -16.977 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.293 -5.406 -18.602 1.00 0.00 H new ATOM 0 HD11 ILE A 154 23.668 -4.843 -21.670 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.599 -4.503 -20.192 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.706 -6.104 -20.963 1.00 0.00 H new ATOM 258 N LEU A 155 23.890 -8.760 -16.549 1.00 0.00 N ATOM 259 CA LEU A 155 24.457 -9.262 -15.307 1.00 0.00 C ATOM 260 C LEU A 155 25.374 -10.450 -15.586 1.00 0.00 C ATOM 261 O LEU A 155 26.492 -10.504 -15.079 1.00 0.00 O ATOM 262 CB LEU A 155 23.311 -9.669 -14.366 1.00 0.00 C ATOM 263 CG LEU A 155 23.831 -9.898 -12.939 1.00 0.00 C ATOM 264 CD1 LEU A 155 24.227 -8.554 -12.317 1.00 0.00 C ATOM 265 CD2 LEU A 155 22.727 -10.540 -12.098 1.00 0.00 C ATOM 0 H LEU A 155 22.871 -8.793 -16.584 1.00 0.00 H new ATOM 0 HA LEU A 155 25.054 -8.483 -14.833 1.00 0.00 H new ATOM 0 HB2 LEU A 155 22.547 -8.892 -14.359 1.00 0.00 H new ATOM 0 HB3 LEU A 155 22.837 -10.578 -14.735 1.00 0.00 H new ATOM 0 HG LEU A 155 24.700 -10.555 -12.968 1.00 0.00 H new ATOM 0 HD11 LEU A 155 24.596 -8.716 -11.304 1.00 0.00 H new ATOM 0 HD12 LEU A 155 25.009 -8.091 -12.918 1.00 0.00 H new ATOM 0 HD13 LEU A 155 23.357 -7.897 -12.285 1.00 0.00 H new ATOM 0 HD21 LEU A 155 23.091 -10.705 -11.084 1.00 0.00 H new ATOM 0 HD22 LEU A 155 21.861 -9.879 -12.070 1.00 0.00 H new ATOM 0 HD23 LEU A 155 22.441 -11.494 -12.540 1.00 0.00 H new ATOM 277 N TYR A 156 24.895 -11.403 -16.394 1.00 0.00 N ATOM 278 CA TYR A 156 25.654 -12.599 -16.719 1.00 0.00 C ATOM 279 C TYR A 156 26.981 -12.227 -17.374 1.00 0.00 C ATOM 280 O TYR A 156 28.034 -12.705 -16.953 1.00 0.00 O ATOM 281 CB TYR A 156 24.810 -13.494 -17.638 1.00 0.00 C ATOM 282 CG TYR A 156 25.436 -14.843 -17.941 1.00 0.00 C ATOM 283 CD1 TYR A 156 26.488 -14.938 -18.871 1.00 0.00 C ATOM 284 CD2 TYR A 156 24.956 -16.003 -17.305 1.00 0.00 C ATOM 285 CE1 TYR A 156 27.066 -16.185 -19.152 1.00 0.00 C ATOM 286 CE2 TYR A 156 25.539 -17.251 -17.584 1.00 0.00 C ATOM 287 CZ TYR A 156 26.596 -17.341 -18.507 1.00 0.00 C ATOM 288 OH TYR A 156 27.170 -18.551 -18.774 1.00 0.00 O ATOM 0 H TYR A 156 23.976 -11.360 -16.834 1.00 0.00 H new ATOM 0 HA TYR A 156 25.884 -13.148 -15.806 1.00 0.00 H new ATOM 0 HB2 TYR A 156 23.836 -13.654 -17.176 1.00 0.00 H new ATOM 0 HB3 TYR A 156 24.635 -12.969 -18.577 1.00 0.00 H new ATOM 0 HD1 TYR A 156 26.850 -14.051 -19.369 1.00 0.00 H new ATOM 0 HD2 TYR A 156 24.139 -15.934 -16.602 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.874 -16.256 -19.865 1.00 0.00 H new ATOM 0 HE2 TYR A 156 25.176 -18.140 -17.090 1.00 0.00 H new ATOM 0 HH TYR A 156 26.728 -19.247 -18.244 1.00 0.00 H new ATOM 298 N GLN A 157 26.936 -11.381 -18.404 1.00 0.00 N ATOM 299 CA GLN A 157 28.138 -10.963 -19.108 1.00 0.00 C ATOM 300 C GLN A 157 29.071 -10.215 -18.155 1.00 0.00 C ATOM 301 O GLN A 157 30.251 -10.544 -18.057 1.00 0.00 O ATOM 302 CB GLN A 157 27.747 -10.076 -20.290 1.00 0.00 C ATOM 303 CG GLN A 157 27.099 -10.929 -21.387 1.00 0.00 C ATOM 304 CD GLN A 157 26.530 -10.059 -22.503 1.00 0.00 C ATOM 305 OE1 GLN A 157 25.374 -10.213 -22.881 1.00 0.00 O ATOM 306 NE2 GLN A 157 27.344 -9.145 -23.032 1.00 0.00 N ATOM 0 H GLN A 157 26.074 -10.973 -18.767 1.00 0.00 H new ATOM 0 HA GLN A 157 28.667 -11.839 -19.482 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.054 -9.301 -19.962 1.00 0.00 H new ATOM 0 HB3 GLN A 157 28.628 -9.569 -20.683 1.00 0.00 H new ATOM 0 HG2 GLN A 157 27.837 -11.616 -21.800 1.00 0.00 H new ATOM 0 HG3 GLN A 157 26.304 -11.537 -20.956 1.00 0.00 H new ATOM 0 HE21 GLN A 157 28.299 -9.052 -22.686 1.00 0.00 H new ATOM 0 HE22 GLN A 157 27.012 -8.539 -23.782 1.00 0.00 H new ATOM 315 N ALA A 158 28.534 -9.210 -17.455 1.00 0.00 N ATOM 316 CA ALA A 158 29.308 -8.398 -16.525 1.00 0.00 C ATOM 317 C ALA A 158 30.042 -9.275 -15.519 1.00 0.00 C ATOM 318 O ALA A 158 31.212 -9.040 -15.235 1.00 0.00 O ATOM 319 CB ALA A 158 28.370 -7.442 -15.790 1.00 0.00 C ATOM 0 H ALA A 158 27.552 -8.941 -17.521 1.00 0.00 H new ATOM 0 HA ALA A 158 30.049 -7.831 -17.088 1.00 0.00 H new ATOM 0 HB1 ALA A 158 28.945 -6.832 -15.093 1.00 0.00 H new ATOM 0 HB2 ALA A 158 27.871 -6.795 -16.512 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.624 -8.015 -15.240 1.00 0.00 H new ATOM 325 N HIS A 159 29.349 -10.279 -14.972 1.00 0.00 N ATOM 326 CA HIS A 159 29.924 -11.159 -13.970 1.00 0.00 C ATOM 327 C HIS A 159 31.240 -11.770 -14.455 1.00 0.00 C ATOM 328 O HIS A 159 32.123 -12.033 -13.649 1.00 0.00 O ATOM 329 CB HIS A 159 28.926 -12.262 -13.624 1.00 0.00 C ATOM 330 CG HIS A 159 29.364 -13.041 -12.419 1.00 0.00 C ATOM 331 ND1 HIS A 159 29.601 -12.664 -11.128 1.00 0.00 N flip ATOM 332 CD2 HIS A 159 29.636 -14.402 -12.453 1.00 0.00 C flip ATOM 333 CE1 HIS A 159 30.008 -13.735 -10.345 1.00 0.00 C flip ATOM 334 NE2 HIS A 159 30.008 -14.753 -11.205 1.00 0.00 N flip ATOM 0 H HIS A 159 28.382 -10.497 -15.214 1.00 0.00 H new ATOM 0 HA HIS A 159 30.140 -10.570 -13.079 1.00 0.00 H new ATOM 0 HB2 HIS A 159 27.946 -11.822 -13.438 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.817 -12.935 -14.474 1.00 0.00 H new ATOM 0 HD1 HIS A 159 29.492 -11.711 -10.781 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.564 -15.053 -13.312 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.262 -13.742 -9.295 1.00 0.00 H new ATOM 342 N LYS A 160 31.368 -12.004 -15.765 1.00 0.00 N ATOM 343 CA LYS A 160 32.575 -12.595 -16.324 1.00 0.00 C ATOM 344 C LYS A 160 33.569 -11.502 -16.724 1.00 0.00 C ATOM 345 O LYS A 160 34.757 -11.610 -16.428 1.00 0.00 O ATOM 346 CB LYS A 160 32.202 -13.467 -17.528 1.00 0.00 C ATOM 347 CG LYS A 160 31.202 -14.541 -17.090 1.00 0.00 C ATOM 348 CD LYS A 160 31.099 -15.624 -18.166 1.00 0.00 C ATOM 349 CE LYS A 160 30.161 -16.735 -17.683 1.00 0.00 C ATOM 350 NZ LYS A 160 29.979 -17.765 -18.722 1.00 0.00 N ATOM 0 H LYS A 160 30.646 -11.791 -16.454 1.00 0.00 H new ATOM 0 HA LYS A 160 33.055 -13.221 -15.572 1.00 0.00 H new ATOM 0 HB2 LYS A 160 31.769 -12.851 -18.316 1.00 0.00 H new ATOM 0 HB3 LYS A 160 33.095 -13.934 -17.943 1.00 0.00 H new ATOM 0 HG2 LYS A 160 31.520 -14.983 -16.146 1.00 0.00 H new ATOM 0 HG3 LYS A 160 30.224 -14.092 -16.919 1.00 0.00 H new ATOM 0 HD2 LYS A 160 30.724 -15.195 -19.095 1.00 0.00 H new ATOM 0 HD3 LYS A 160 32.086 -16.034 -18.380 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.568 -17.192 -16.781 1.00 0.00 H new ATOM 0 HE3 LYS A 160 29.194 -16.308 -17.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 28.971 -18.010 -18.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 30.314 -17.399 -19.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 30.524 -18.614 -18.469 1.00 0.00 H new ATOM 364 N ARG A 161 33.083 -10.454 -17.405 1.00 0.00 N ATOM 365 CA ARG A 161 33.936 -9.364 -17.869 1.00 0.00 C ATOM 366 C ARG A 161 34.580 -8.647 -16.684 1.00 0.00 C ATOM 367 O ARG A 161 35.804 -8.585 -16.587 1.00 0.00 O ATOM 368 CB ARG A 161 33.106 -8.377 -18.704 1.00 0.00 C ATOM 369 CG ARG A 161 32.576 -9.046 -19.988 1.00 0.00 C ATOM 370 CD ARG A 161 33.730 -9.541 -20.872 1.00 0.00 C ATOM 371 NE ARG A 161 34.738 -8.490 -21.082 1.00 0.00 N ATOM 372 CZ ARG A 161 35.960 -8.733 -21.588 1.00 0.00 C ATOM 373 NH1 ARG A 161 36.294 -9.969 -21.983 1.00 0.00 N ATOM 374 NH2 ARG A 161 36.846 -7.735 -21.698 1.00 0.00 N ATOM 0 H ARG A 161 32.098 -10.344 -17.645 1.00 0.00 H new ATOM 0 HA ARG A 161 34.730 -9.777 -18.491 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.270 -8.007 -18.111 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.717 -7.513 -18.966 1.00 0.00 H new ATOM 0 HG2 ARG A 161 31.930 -9.884 -19.725 1.00 0.00 H new ATOM 0 HG3 ARG A 161 31.965 -8.336 -20.546 1.00 0.00 H new ATOM 0 HD2 ARG A 161 34.199 -10.409 -20.408 1.00 0.00 H new ATOM 0 HD3 ARG A 161 33.338 -9.868 -21.835 1.00 0.00 H new ATOM 0 HE ARG A 161 34.498 -7.531 -20.832 1.00 0.00 H new ATOM 0 HH11 ARG A 161 35.620 -10.730 -21.901 1.00 0.00 H new ATOM 0 HH12 ARG A 161 37.222 -10.149 -22.366 1.00 0.00 H new ATOM 0 HH21 ARG A 161 36.593 -6.793 -21.398 1.00 0.00 H new ATOM 0 HH22 ARG A 161 37.774 -7.916 -22.081 1.00 0.00 H new ATOM 388 N LEU A 162 33.754 -8.101 -15.787 1.00 0.00 N ATOM 389 CA LEU A 162 34.242 -7.378 -14.620 1.00 0.00 C ATOM 390 C LEU A 162 34.691 -8.367 -13.544 1.00 0.00 C ATOM 391 O LEU A 162 35.460 -8.008 -12.655 1.00 0.00 O ATOM 392 CB LEU A 162 33.128 -6.471 -14.065 1.00 0.00 C ATOM 393 CG LEU A 162 33.041 -5.131 -14.829 1.00 0.00 C ATOM 394 CD1 LEU A 162 34.288 -4.280 -14.562 1.00 0.00 C ATOM 395 CD2 LEU A 162 32.891 -5.374 -16.335 1.00 0.00 C ATOM 0 H LEU A 162 32.737 -8.149 -15.852 1.00 0.00 H new ATOM 0 HA LEU A 162 35.092 -6.762 -14.913 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.171 -6.989 -14.131 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.312 -6.275 -13.009 1.00 0.00 H new ATOM 0 HG LEU A 162 32.162 -4.595 -14.472 1.00 0.00 H new ATOM 0 HD11 LEU A 162 34.210 -3.340 -15.108 1.00 0.00 H new ATOM 0 HD12 LEU A 162 34.367 -4.075 -13.494 1.00 0.00 H new ATOM 0 HD13 LEU A 162 35.175 -4.820 -14.894 1.00 0.00 H new ATOM 0 HD21 LEU A 162 32.832 -4.417 -16.854 1.00 0.00 H new ATOM 0 HD22 LEU A 162 33.753 -5.932 -16.701 1.00 0.00 H new ATOM 0 HD23 LEU A 162 31.982 -5.945 -16.523 1.00 0.00 H new ATOM 407 N GLY A 163 34.202 -9.613 -13.620 1.00 0.00 N ATOM 408 CA GLY A 163 34.528 -10.630 -12.638 1.00 0.00 C ATOM 409 C GLY A 163 33.532 -10.552 -11.486 1.00 0.00 C ATOM 410 O GLY A 163 32.498 -9.897 -11.603 1.00 0.00 O ATOM 0 H GLY A 163 33.576 -9.932 -14.360 1.00 0.00 H new ATOM 0 HA2 GLY A 163 34.496 -11.619 -13.096 1.00 0.00 H new ATOM 0 HA3 GLY A 163 35.543 -10.483 -12.268 1.00 0.00 H new ATOM 414 N ASN A 164 33.843 -11.213 -10.369 1.00 0.00 N ATOM 415 CA ASN A 164 32.980 -11.192 -9.196 1.00 0.00 C ATOM 416 C ASN A 164 33.215 -9.890 -8.424 1.00 0.00 C ATOM 417 O ASN A 164 33.627 -9.907 -7.266 1.00 0.00 O ATOM 418 CB ASN A 164 33.276 -12.427 -8.340 1.00 0.00 C ATOM 419 CG ASN A 164 32.303 -12.536 -7.168 1.00 0.00 C ATOM 420 OD1 ASN A 164 31.108 -12.733 -7.364 1.00 0.00 O ATOM 421 ND2 ASN A 164 32.820 -12.410 -5.944 1.00 0.00 N ATOM 0 H ASN A 164 34.690 -11.770 -10.256 1.00 0.00 H new ATOM 0 HA ASN A 164 31.929 -11.225 -9.484 1.00 0.00 H new ATOM 0 HB2 ASN A 164 33.209 -13.324 -8.956 1.00 0.00 H new ATOM 0 HB3 ASN A 164 34.298 -12.375 -7.964 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.215 -12.477 -5.125 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.820 -12.247 -5.827 1.00 0.00 H new ATOM 428 N ARG A 165 32.949 -8.757 -9.092 1.00 0.00 N ATOM 429 CA ARG A 165 33.108 -7.433 -8.509 1.00 0.00 C ATOM 430 C ARG A 165 31.759 -6.725 -8.545 1.00 0.00 C ATOM 431 O ARG A 165 31.599 -5.711 -9.219 1.00 0.00 O ATOM 432 CB ARG A 165 34.158 -6.647 -9.301 1.00 0.00 C ATOM 433 CG ARG A 165 35.504 -7.375 -9.253 1.00 0.00 C ATOM 434 CD ARG A 165 36.580 -6.501 -9.898 1.00 0.00 C ATOM 435 NE ARG A 165 37.857 -7.220 -9.980 1.00 0.00 N ATOM 436 CZ ARG A 165 38.961 -6.689 -10.533 1.00 0.00 C ATOM 437 NH1 ARG A 165 38.931 -5.447 -11.035 1.00 0.00 N ATOM 438 NH2 ARG A 165 40.093 -7.404 -10.582 1.00 0.00 N ATOM 0 H ARG A 165 32.616 -8.743 -10.056 1.00 0.00 H new ATOM 0 HA ARG A 165 33.447 -7.507 -7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.834 -6.532 -10.335 1.00 0.00 H new ATOM 0 HB3 ARG A 165 34.263 -5.644 -8.886 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.772 -7.598 -8.220 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.433 -8.328 -9.777 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.261 -6.202 -10.897 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.709 -5.587 -9.318 1.00 0.00 H new ATOM 0 HE ARG A 165 37.909 -8.165 -9.600 1.00 0.00 H new ATOM 0 HH11 ARG A 165 38.069 -4.903 -10.998 1.00 0.00 H new ATOM 0 HH12 ARG A 165 39.770 -5.046 -11.454 1.00 0.00 H new ATOM 0 HH21 ARG A 165 40.116 -8.350 -10.200 1.00 0.00 H new ATOM 0 HH22 ARG A 165 40.932 -7.003 -11.001 1.00 0.00 H new ATOM 452 N TRP A 166 30.788 -7.279 -7.816 1.00 0.00 N ATOM 453 CA TRP A 166 29.435 -6.746 -7.765 1.00 0.00 C ATOM 454 C TRP A 166 29.439 -5.256 -7.425 1.00 0.00 C ATOM 455 O TRP A 166 28.638 -4.499 -7.968 1.00 0.00 O ATOM 456 CB TRP A 166 28.642 -7.533 -6.733 1.00 0.00 C ATOM 457 CG TRP A 166 28.513 -8.993 -7.039 1.00 0.00 C ATOM 458 CD1 TRP A 166 28.960 -9.997 -6.265 1.00 0.00 C ATOM 459 CD2 TRP A 166 27.907 -9.642 -8.198 1.00 0.00 C ATOM 460 NE1 TRP A 166 28.668 -11.215 -6.823 1.00 0.00 N ATOM 461 CE2 TRP A 166 28.006 -11.057 -8.025 1.00 0.00 C ATOM 462 CE3 TRP A 166 27.282 -9.185 -9.381 1.00 0.00 C ATOM 463 CZ2 TRP A 166 27.501 -11.962 -8.955 1.00 0.00 C ATOM 464 CZ3 TRP A 166 26.777 -10.102 -10.330 1.00 0.00 C ATOM 465 CH2 TRP A 166 26.879 -11.485 -10.112 1.00 0.00 C ATOM 0 H TRP A 166 30.924 -8.113 -7.244 1.00 0.00 H new ATOM 0 HA TRP A 166 28.970 -6.849 -8.745 1.00 0.00 H new ATOM 0 HB2 TRP A 166 29.120 -7.418 -5.760 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.645 -7.101 -6.651 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.480 -9.862 -5.328 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.907 -12.115 -6.407 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.190 -8.124 -9.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.589 -13.025 -8.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.308 -9.736 -11.231 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.478 -12.178 -10.836 1.00 0.00 H new ATOM 476 N ALA A 167 30.337 -4.838 -6.529 1.00 0.00 N ATOM 477 CA ALA A 167 30.435 -3.443 -6.125 1.00 0.00 C ATOM 478 C ALA A 167 30.694 -2.548 -7.341 1.00 0.00 C ATOM 479 O ALA A 167 30.163 -1.443 -7.418 1.00 0.00 O ATOM 480 CB ALA A 167 31.559 -3.296 -5.098 1.00 0.00 C ATOM 0 H ALA A 167 31.008 -5.454 -6.070 1.00 0.00 H new ATOM 0 HA ALA A 167 29.493 -3.130 -5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.638 -2.253 -4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.340 -3.915 -4.228 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.502 -3.616 -5.542 1.00 0.00 H new ATOM 486 N GLU A 168 31.517 -3.027 -8.286 1.00 0.00 N ATOM 487 CA GLU A 168 31.866 -2.258 -9.474 1.00 0.00 C ATOM 488 C GLU A 168 30.829 -2.461 -10.582 1.00 0.00 C ATOM 489 O GLU A 168 30.613 -1.567 -11.391 1.00 0.00 O ATOM 490 CB GLU A 168 33.260 -2.673 -9.957 1.00 0.00 C ATOM 491 CG GLU A 168 34.304 -2.368 -8.873 1.00 0.00 C ATOM 492 CD GLU A 168 34.285 -0.890 -8.490 1.00 0.00 C ATOM 493 OE1 GLU A 168 34.741 -0.082 -9.325 1.00 0.00 O ATOM 494 OE2 GLU A 168 33.810 -0.596 -7.370 1.00 0.00 O ATOM 0 H GLU A 168 31.951 -3.949 -8.243 1.00 0.00 H new ATOM 0 HA GLU A 168 31.874 -1.198 -9.219 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.270 -3.737 -10.194 1.00 0.00 H new ATOM 0 HB3 GLU A 168 33.510 -2.140 -10.874 1.00 0.00 H new ATOM 0 HG2 GLU A 168 34.106 -2.978 -7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 168 35.296 -2.641 -9.233 1.00 0.00 H new ATOM 501 N ILE A 169 30.188 -3.630 -10.626 1.00 0.00 N ATOM 502 CA ILE A 169 29.184 -3.911 -11.645 1.00 0.00 C ATOM 503 C ILE A 169 27.926 -3.081 -11.380 1.00 0.00 C ATOM 504 O ILE A 169 27.340 -2.529 -12.313 1.00 0.00 O ATOM 505 CB ILE A 169 28.863 -5.410 -11.643 1.00 0.00 C ATOM 506 CG1 ILE A 169 30.068 -6.188 -12.195 1.00 0.00 C ATOM 507 CG2 ILE A 169 27.627 -5.678 -12.516 1.00 0.00 C ATOM 508 CD1 ILE A 169 29.937 -7.678 -11.872 1.00 0.00 C ATOM 0 H ILE A 169 30.348 -4.393 -9.969 1.00 0.00 H new ATOM 0 HA ILE A 169 29.570 -3.638 -12.627 1.00 0.00 H new ATOM 0 HB ILE A 169 28.655 -5.736 -10.624 1.00 0.00 H new ATOM 0 HG12 ILE A 169 30.135 -6.048 -13.274 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.990 -5.796 -11.765 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.403 -6.745 -12.512 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.775 -5.126 -12.119 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.826 -5.353 -13.537 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.799 -8.214 -12.270 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.893 -7.814 -10.791 1.00 0.00 H new ATOM 0 HD13 ILE A 169 29.026 -8.070 -12.324 1.00 0.00 H new ATOM 520 N ALA A 170 27.509 -2.996 -10.108 1.00 0.00 N ATOM 521 CA ALA A 170 26.309 -2.256 -9.737 1.00 0.00 C ATOM 522 C ALA A 170 26.452 -0.769 -10.065 1.00 0.00 C ATOM 523 O ALA A 170 25.464 -0.039 -10.032 1.00 0.00 O ATOM 524 CB ALA A 170 26.019 -2.450 -8.251 1.00 0.00 C ATOM 0 H ALA A 170 27.991 -3.434 -9.323 1.00 0.00 H new ATOM 0 HA ALA A 170 25.473 -2.645 -10.318 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.121 -1.895 -7.980 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.866 -3.509 -8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.862 -2.085 -7.665 1.00 0.00 H new ATOM 530 N LYS A 171 27.671 -0.319 -10.394 1.00 0.00 N ATOM 531 CA LYS A 171 27.902 1.066 -10.776 1.00 0.00 C ATOM 532 C LYS A 171 27.000 1.416 -11.962 1.00 0.00 C ATOM 533 O LYS A 171 26.510 2.538 -12.063 1.00 0.00 O ATOM 534 CB LYS A 171 29.373 1.249 -11.173 1.00 0.00 C ATOM 535 CG LYS A 171 30.304 0.943 -9.993 1.00 0.00 C ATOM 536 CD LYS A 171 30.371 2.130 -9.032 1.00 0.00 C ATOM 537 CE LYS A 171 31.439 1.853 -7.969 1.00 0.00 C ATOM 538 NZ LYS A 171 31.575 2.987 -7.042 1.00 0.00 N ATOM 0 H LYS A 171 28.508 -0.901 -10.401 1.00 0.00 H new ATOM 0 HA LYS A 171 27.673 1.723 -9.937 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.612 0.592 -12.009 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.537 2.271 -11.514 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.948 0.060 -9.463 1.00 0.00 H new ATOM 0 HG3 LYS A 171 31.303 0.712 -10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 171 30.611 3.043 -9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 171 29.401 2.287 -8.559 1.00 0.00 H new ATOM 0 HE2 LYS A 171 31.176 0.954 -7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 171 32.396 1.659 -8.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.305 2.771 -6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 31.849 3.838 -7.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 30.667 3.155 -6.563 1.00 0.00 H new ATOM 552 N LEU A 172 26.791 0.437 -12.857 1.00 0.00 N ATOM 553 CA LEU A 172 25.974 0.621 -14.047 1.00 0.00 C ATOM 554 C LEU A 172 24.527 0.175 -13.791 1.00 0.00 C ATOM 555 O LEU A 172 23.702 0.241 -14.699 1.00 0.00 O ATOM 556 CB LEU A 172 26.577 -0.192 -15.203 1.00 0.00 C ATOM 557 CG LEU A 172 28.063 0.162 -15.400 1.00 0.00 C ATOM 558 CD1 LEU A 172 28.638 -0.699 -16.525 1.00 0.00 C ATOM 559 CD2 LEU A 172 28.209 1.643 -15.767 1.00 0.00 C ATOM 0 H LEU A 172 27.187 -0.499 -12.768 1.00 0.00 H new ATOM 0 HA LEU A 172 25.961 1.680 -14.307 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.476 -1.257 -14.996 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.025 0.008 -16.122 1.00 0.00 H new ATOM 0 HG LEU A 172 28.603 -0.028 -14.472 1.00 0.00 H new ATOM 0 HD11 LEU A 172 29.690 -0.453 -16.670 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.544 -1.752 -16.261 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.090 -0.506 -17.447 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.264 1.882 -15.904 1.00 0.00 H new ATOM 0 HD22 LEU A 172 27.669 1.844 -16.692 1.00 0.00 H new ATOM 0 HD23 LEU A 172 27.799 2.258 -14.966 1.00 0.00 H new ATOM 571 N LEU A 173 24.220 -0.277 -12.559 1.00 0.00 N ATOM 572 CA LEU A 173 22.878 -0.735 -12.205 1.00 0.00 C ATOM 573 C LEU A 173 22.363 0.041 -10.984 1.00 0.00 C ATOM 574 O LEU A 173 22.252 -0.529 -9.899 1.00 0.00 O ATOM 575 CB LEU A 173 22.902 -2.245 -11.906 1.00 0.00 C ATOM 576 CG LEU A 173 23.494 -3.037 -13.087 1.00 0.00 C ATOM 577 CD1 LEU A 173 23.741 -4.482 -12.648 1.00 0.00 C ATOM 578 CD2 LEU A 173 22.519 -3.030 -14.268 1.00 0.00 C ATOM 0 H LEU A 173 24.893 -0.332 -11.794 1.00 0.00 H new ATOM 0 HA LEU A 173 22.206 -0.553 -13.044 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.491 -2.431 -11.008 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.890 -2.594 -11.701 1.00 0.00 H new ATOM 0 HG LEU A 173 24.431 -2.573 -13.395 1.00 0.00 H new ATOM 0 HD11 LEU A 173 24.160 -5.048 -13.480 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.440 -4.494 -11.812 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.799 -4.935 -12.339 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.948 -3.593 -15.097 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.578 -3.490 -13.966 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.336 -2.003 -14.583 1.00 0.00 H new ATOM 590 N PRO A 174 22.041 1.342 -11.151 1.00 0.00 N ATOM 591 CA PRO A 174 21.528 2.158 -10.069 1.00 0.00 C ATOM 592 C PRO A 174 20.176 1.620 -9.601 1.00 0.00 C ATOM 593 O PRO A 174 19.185 1.721 -10.324 1.00 0.00 O ATOM 594 CB PRO A 174 21.403 3.576 -10.639 1.00 0.00 C ATOM 595 CG PRO A 174 21.638 3.465 -12.148 1.00 0.00 C ATOM 596 CD PRO A 174 22.164 2.052 -12.408 1.00 0.00 C ATOM 0 HA PRO A 174 22.184 2.148 -9.198 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.417 3.992 -10.430 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.134 4.243 -10.181 1.00 0.00 H new ATOM 0 HG2 PRO A 174 20.713 3.641 -12.698 1.00 0.00 H new ATOM 0 HG3 PRO A 174 22.356 4.213 -12.484 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.589 1.560 -13.192 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.201 2.077 -12.742 1.00 0.00 H new ATOM 604 N GLY A 175 20.144 1.046 -8.391 1.00 0.00 N ATOM 605 CA GLY A 175 18.924 0.485 -7.823 1.00 0.00 C ATOM 606 C GLY A 175 19.181 -0.946 -7.365 1.00 0.00 C ATOM 607 O GLY A 175 18.958 -1.279 -6.202 1.00 0.00 O ATOM 0 H GLY A 175 20.961 0.961 -7.786 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.591 1.092 -6.981 1.00 0.00 H new ATOM 0 HA3 GLY A 175 18.125 0.502 -8.564 1.00 0.00 H new ATOM 611 N ARG A 176 19.656 -1.793 -8.288 1.00 0.00 N ATOM 612 CA ARG A 176 19.956 -3.182 -7.977 1.00 0.00 C ATOM 613 C ARG A 176 21.135 -3.226 -7.005 1.00 0.00 C ATOM 614 O ARG A 176 22.277 -2.996 -7.396 1.00 0.00 O ATOM 615 CB ARG A 176 20.269 -3.948 -9.276 1.00 0.00 C ATOM 616 CG ARG A 176 19.089 -4.852 -9.655 1.00 0.00 C ATOM 617 CD ARG A 176 17.898 -4.007 -10.128 1.00 0.00 C ATOM 618 NE ARG A 176 16.653 -4.786 -10.095 1.00 0.00 N ATOM 619 CZ ARG A 176 16.350 -5.750 -10.987 1.00 0.00 C ATOM 620 NH1 ARG A 176 17.135 -5.969 -12.048 1.00 0.00 N ATOM 621 NH2 ARG A 176 15.254 -6.496 -10.807 1.00 0.00 N ATOM 0 H ARG A 176 19.839 -1.532 -9.257 1.00 0.00 H new ATOM 0 HA ARG A 176 19.098 -3.661 -7.506 1.00 0.00 H new ATOM 0 HB2 ARG A 176 20.471 -3.243 -10.083 1.00 0.00 H new ATOM 0 HB3 ARG A 176 21.169 -4.548 -9.145 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.390 -5.542 -10.444 1.00 0.00 H new ATOM 0 HG3 ARG A 176 18.796 -5.457 -8.797 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.797 -3.127 -9.493 1.00 0.00 H new ATOM 0 HD3 ARG A 176 18.081 -3.650 -11.141 1.00 0.00 H new ATOM 0 HE ARG A 176 15.980 -4.586 -9.355 1.00 0.00 H new ATOM 0 HH11 ARG A 176 17.972 -5.404 -12.188 1.00 0.00 H new ATOM 0 HH12 ARG A 176 16.896 -6.701 -12.717 1.00 0.00 H new ATOM 0 HH21 ARG A 176 14.654 -6.334 -9.999 1.00 0.00 H new ATOM 0 HH22 ARG A 176 15.019 -7.227 -11.478 1.00 0.00 H new ATOM 635 N THR A 177 20.844 -3.514 -5.734 1.00 0.00 N ATOM 636 CA THR A 177 21.857 -3.558 -4.692 1.00 0.00 C ATOM 637 C THR A 177 22.612 -4.887 -4.755 1.00 0.00 C ATOM 638 O THR A 177 22.062 -5.893 -5.198 1.00 0.00 O ATOM 639 CB THR A 177 21.169 -3.369 -3.332 1.00 0.00 C ATOM 640 OG1 THR A 177 20.454 -2.150 -3.336 1.00 0.00 O ATOM 641 CG2 THR A 177 22.208 -3.335 -2.207 1.00 0.00 C ATOM 0 H THR A 177 19.901 -3.722 -5.405 1.00 0.00 H new ATOM 0 HA THR A 177 22.584 -2.759 -4.835 1.00 0.00 H new ATOM 0 HB THR A 177 20.489 -4.204 -3.163 1.00 0.00 H new ATOM 0 HG1 THR A 177 20.012 -2.027 -2.470 1.00 0.00 H new ATOM 0 HG21 THR A 177 21.704 -3.200 -1.250 1.00 0.00 H new ATOM 0 HG22 THR A 177 22.763 -4.273 -2.196 1.00 0.00 H new ATOM 0 HG23 THR A 177 22.897 -2.507 -2.373 1.00 0.00 H new ATOM 649 N ASP A 178 23.876 -4.877 -4.305 1.00 0.00 N ATOM 650 CA ASP A 178 24.731 -6.062 -4.297 1.00 0.00 C ATOM 651 C ASP A 178 23.972 -7.278 -3.756 1.00 0.00 C ATOM 652 O ASP A 178 23.907 -8.310 -4.418 1.00 0.00 O ATOM 653 CB ASP A 178 25.969 -5.764 -3.439 1.00 0.00 C ATOM 654 CG ASP A 178 26.668 -7.049 -3.002 1.00 0.00 C ATOM 655 OD1 ASP A 178 27.527 -7.522 -3.773 1.00 0.00 O ATOM 656 OD2 ASP A 178 26.327 -7.537 -1.901 1.00 0.00 O ATOM 0 H ASP A 178 24.330 -4.042 -3.936 1.00 0.00 H new ATOM 0 HA ASP A 178 25.039 -6.299 -5.315 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.665 -5.144 -4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 178 25.674 -5.191 -2.560 1.00 0.00 H new ATOM 661 N ASN A 179 23.403 -7.150 -2.554 1.00 0.00 N ATOM 662 CA ASN A 179 22.671 -8.242 -1.922 1.00 0.00 C ATOM 663 C ASN A 179 21.626 -8.816 -2.879 1.00 0.00 C ATOM 664 O ASN A 179 21.587 -10.023 -3.097 1.00 0.00 O ATOM 665 CB ASN A 179 22.004 -7.734 -0.641 1.00 0.00 C ATOM 666 CG ASN A 179 23.051 -7.353 0.403 1.00 0.00 C ATOM 667 OD1 ASN A 179 23.716 -8.219 0.962 1.00 0.00 O ATOM 668 ND2 ASN A 179 23.194 -6.052 0.664 1.00 0.00 N ATOM 0 H ASN A 179 23.438 -6.295 -2.000 1.00 0.00 H new ATOM 0 HA ASN A 179 23.370 -9.040 -1.670 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.380 -6.870 -0.869 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.346 -8.504 -0.238 1.00 0.00 H new ATOM 0 HD21 ASN A 179 23.879 -5.742 1.353 1.00 0.00 H new ATOM 0 HD22 ASN A 179 22.618 -5.367 0.174 1.00 0.00 H new ATOM 675 N ALA A 180 20.778 -7.949 -3.445 1.00 0.00 N ATOM 676 CA ALA A 180 19.724 -8.377 -4.355 1.00 0.00 C ATOM 677 C ALA A 180 20.316 -9.046 -5.598 1.00 0.00 C ATOM 678 O ALA A 180 19.778 -10.039 -6.080 1.00 0.00 O ATOM 679 CB ALA A 180 18.879 -7.170 -4.750 1.00 0.00 C ATOM 0 H ALA A 180 20.807 -6.942 -3.284 1.00 0.00 H new ATOM 0 HA ALA A 180 19.095 -9.110 -3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.089 -7.486 -5.431 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.434 -6.730 -3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.509 -6.430 -5.244 1.00 0.00 H new ATOM 685 N ILE A 181 21.419 -8.500 -6.116 1.00 0.00 N ATOM 686 CA ILE A 181 22.070 -9.039 -7.301 1.00 0.00 C ATOM 687 C ILE A 181 22.537 -10.458 -7.046 1.00 0.00 C ATOM 688 O ILE A 181 22.310 -11.333 -7.865 1.00 0.00 O ATOM 689 CB ILE A 181 23.250 -8.144 -7.684 1.00 0.00 C ATOM 690 CG1 ILE A 181 22.721 -6.944 -8.454 1.00 0.00 C ATOM 691 CG2 ILE A 181 24.236 -8.919 -8.559 1.00 0.00 C ATOM 692 CD1 ILE A 181 23.690 -5.767 -8.306 1.00 0.00 C ATOM 0 H ILE A 181 21.879 -7.678 -5.725 1.00 0.00 H new ATOM 0 HA ILE A 181 21.358 -9.060 -8.126 1.00 0.00 H new ATOM 0 HB ILE A 181 23.766 -7.814 -6.782 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.602 -7.199 -9.507 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.736 -6.666 -8.080 1.00 0.00 H new ATOM 0 HG21 ILE A 181 25.072 -8.272 -8.826 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.607 -9.784 -8.010 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.732 -9.254 -9.466 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.308 -4.909 -8.859 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.787 -5.506 -7.252 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.666 -6.048 -8.701 1.00 0.00 H new ATOM 704 N LYS A 182 23.190 -10.686 -5.915 1.00 0.00 N ATOM 705 CA LYS A 182 23.681 -12.004 -5.568 1.00 0.00 C ATOM 706 C LYS A 182 22.524 -12.929 -5.288 1.00 0.00 C ATOM 707 O LYS A 182 22.546 -14.082 -5.702 1.00 0.00 O ATOM 708 CB LYS A 182 24.556 -11.896 -4.348 1.00 0.00 C ATOM 709 CG LYS A 182 25.941 -11.432 -4.767 1.00 0.00 C ATOM 710 CD LYS A 182 26.462 -10.429 -3.741 1.00 0.00 C ATOM 711 CE LYS A 182 26.378 -11.025 -2.327 1.00 0.00 C ATOM 712 NZ LYS A 182 26.958 -10.100 -1.337 1.00 0.00 N ATOM 0 H LYS A 182 23.391 -9.967 -5.220 1.00 0.00 H new ATOM 0 HA LYS A 182 24.258 -12.408 -6.400 1.00 0.00 H new ATOM 0 HB2 LYS A 182 24.123 -11.193 -3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.619 -12.861 -3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 182 26.618 -12.284 -4.838 1.00 0.00 H new ATOM 0 HG3 LYS A 182 25.901 -10.973 -5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.494 -10.165 -3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.879 -9.510 -3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 182 25.338 -11.230 -2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 182 26.907 -11.977 -2.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 26.892 -10.521 -0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 27.957 -9.925 -1.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 26.436 -9.201 -1.354 1.00 0.00 H new ATOM 726 N ASN A 183 21.508 -12.427 -4.584 1.00 0.00 N ATOM 727 CA ASN A 183 20.349 -13.228 -4.282 1.00 0.00 C ATOM 728 C ASN A 183 19.766 -13.726 -5.601 1.00 0.00 C ATOM 729 O ASN A 183 19.395 -14.891 -5.724 1.00 0.00 O ATOM 730 CB ASN A 183 19.319 -12.399 -3.505 1.00 0.00 C ATOM 731 CG ASN A 183 19.773 -12.133 -2.070 1.00 0.00 C ATOM 732 OD1 ASN A 183 20.674 -12.796 -1.563 1.00 0.00 O ATOM 733 ND2 ASN A 183 19.141 -11.161 -1.414 1.00 0.00 N ATOM 0 H ASN A 183 21.476 -11.475 -4.220 1.00 0.00 H new ATOM 0 HA ASN A 183 20.624 -14.077 -3.656 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.155 -11.450 -4.016 1.00 0.00 H new ATOM 0 HB3 ASN A 183 18.364 -12.924 -3.493 1.00 0.00 H new ATOM 0 HD21 ASN A 183 19.400 -10.943 -0.452 1.00 0.00 H new ATOM 0 HD22 ASN A 183 18.398 -10.635 -1.874 1.00 0.00 H new ATOM 740 N HIS A 184 19.710 -12.821 -6.593 1.00 0.00 N ATOM 741 CA HIS A 184 19.222 -13.136 -7.922 1.00 0.00 C ATOM 742 C HIS A 184 20.187 -14.097 -8.624 1.00 0.00 C ATOM 743 O HIS A 184 19.755 -15.053 -9.264 1.00 0.00 O ATOM 744 CB HIS A 184 19.100 -11.839 -8.734 1.00 0.00 C ATOM 745 CG HIS A 184 18.618 -12.092 -10.136 1.00 0.00 C ATOM 746 ND1 HIS A 184 17.335 -12.544 -10.428 1.00 0.00 N ATOM 747 CD2 HIS A 184 19.236 -11.977 -11.356 1.00 0.00 C ATOM 748 CE1 HIS A 184 17.264 -12.666 -11.769 1.00 0.00 C ATOM 749 NE2 HIS A 184 18.394 -12.337 -12.393 1.00 0.00 N ATOM 0 H HIS A 184 20.006 -11.851 -6.483 1.00 0.00 H new ATOM 0 HA HIS A 184 18.246 -13.615 -7.844 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.411 -11.161 -8.231 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.069 -11.341 -8.769 1.00 0.00 H new ATOM 0 HD1 HIS A 184 16.592 -12.744 -9.758 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.255 -11.646 -11.490 1.00 0.00 H new ATOM 0 HE1 HIS A 184 16.377 -12.998 -12.287 1.00 0.00 H new ATOM 757 N TRP A 185 21.495 -13.826 -8.509 1.00 0.00 N ATOM 758 CA TRP A 185 22.521 -14.619 -9.171 1.00 0.00 C ATOM 759 C TRP A 185 22.576 -16.035 -8.597 1.00 0.00 C ATOM 760 O TRP A 185 23.025 -16.952 -9.277 1.00 0.00 O ATOM 761 CB TRP A 185 23.883 -13.925 -9.047 1.00 0.00 C ATOM 762 CG TRP A 185 24.938 -14.502 -9.932 1.00 0.00 C ATOM 763 CD1 TRP A 185 26.064 -15.111 -9.526 1.00 0.00 C ATOM 764 CD2 TRP A 185 24.978 -14.544 -11.386 1.00 0.00 C ATOM 765 NE1 TRP A 185 26.811 -15.528 -10.600 1.00 0.00 N ATOM 766 CE2 TRP A 185 26.182 -15.204 -11.789 1.00 0.00 C ATOM 767 CE3 TRP A 185 24.122 -14.094 -12.416 1.00 0.00 C ATOM 768 CZ2 TRP A 185 26.510 -15.403 -13.133 1.00 0.00 C ATOM 769 CZ3 TRP A 185 24.452 -14.296 -13.770 1.00 0.00 C ATOM 770 CH2 TRP A 185 25.641 -14.955 -14.120 1.00 0.00 C ATOM 0 H TRP A 185 21.863 -13.052 -7.955 1.00 0.00 H new ATOM 0 HA TRP A 185 22.267 -14.701 -10.228 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.764 -12.867 -9.282 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.218 -13.986 -8.011 1.00 0.00 H new ATOM 0 HD1 TRP A 185 26.344 -15.254 -8.493 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.707 -16.011 -10.531 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.202 -13.588 -12.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.430 -15.900 -13.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 23.787 -13.942 -14.543 1.00 0.00 H new ATOM 0 HH2 TRP A 185 25.881 -15.114 -15.161 1.00 0.00 H new ATOM 781 N ASN A 186 22.128 -16.210 -7.348 1.00 0.00 N ATOM 782 CA ASN A 186 22.137 -17.509 -6.690 1.00 0.00 C ATOM 783 C ASN A 186 20.829 -18.255 -6.952 1.00 0.00 C ATOM 784 O ASN A 186 20.844 -19.454 -7.227 1.00 0.00 O ATOM 785 CB ASN A 186 22.342 -17.301 -5.186 1.00 0.00 C ATOM 786 CG ASN A 186 22.215 -18.620 -4.431 1.00 0.00 C ATOM 787 OD1 ASN A 186 21.231 -18.845 -3.732 1.00 0.00 O ATOM 788 ND2 ASN A 186 23.215 -19.491 -4.571 1.00 0.00 N ATOM 0 H ASN A 186 21.752 -15.456 -6.773 1.00 0.00 H new ATOM 0 HA ASN A 186 22.951 -18.113 -7.091 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.326 -16.868 -5.006 1.00 0.00 H new ATOM 0 HB3 ASN A 186 21.607 -16.590 -4.810 1.00 0.00 H new ATOM 0 HD21 ASN A 186 23.182 -20.388 -4.086 1.00 0.00 H new ATOM 0 HD22 ASN A 186 24.013 -19.260 -5.163 1.00 0.00 H new ATOM 795 N SER A 187 19.695 -17.550 -6.859 1.00 0.00 N ATOM 796 CA SER A 187 18.391 -18.164 -7.057 1.00 0.00 C ATOM 797 C SER A 187 18.190 -18.538 -8.525 1.00 0.00 C ATOM 798 O SER A 187 17.697 -19.627 -8.824 1.00 0.00 O ATOM 799 CB SER A 187 17.297 -17.193 -6.595 1.00 0.00 C ATOM 800 OG SER A 187 17.319 -16.026 -7.391 1.00 0.00 O ATOM 0 H SER A 187 19.662 -16.553 -6.647 1.00 0.00 H new ATOM 0 HA SER A 187 18.333 -19.078 -6.466 1.00 0.00 H new ATOM 0 HB2 SER A 187 16.321 -17.672 -6.665 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.450 -16.932 -5.548 1.00 0.00 H new ATOM 0 HG SER A 187 18.039 -15.436 -7.086 1.00 0.00 H new ATOM 806 N THR A 188 18.560 -17.629 -9.434 1.00 0.00 N ATOM 807 CA THR A 188 18.371 -17.837 -10.859 1.00 0.00 C ATOM 808 C THR A 188 19.498 -18.683 -11.432 1.00 0.00 C ATOM 809 O THR A 188 19.283 -19.836 -11.804 1.00 0.00 O ATOM 810 CB THR A 188 18.285 -16.471 -11.561 1.00 0.00 C ATOM 811 OG1 THR A 188 17.447 -15.614 -10.813 1.00 0.00 O ATOM 812 CG2 THR A 188 17.707 -16.646 -12.966 1.00 0.00 C ATOM 0 H THR A 188 18.995 -16.737 -9.197 1.00 0.00 H new ATOM 0 HA THR A 188 17.441 -18.379 -11.028 1.00 0.00 H new ATOM 0 HB THR A 188 19.283 -16.039 -11.634 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.962 -15.205 -10.087 1.00 0.00 H new ATOM 0 HG21 THR A 188 17.648 -15.676 -13.459 1.00 0.00 H new ATOM 0 HG22 THR A 188 18.351 -17.308 -13.544 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.709 -17.079 -12.898 1.00 0.00 H new ATOM 820 N MET A 189 20.690 -18.107 -11.513 1.00 0.00 N ATOM 821 CA MET A 189 21.834 -18.776 -12.087 1.00 0.00 C ATOM 822 C MET A 189 22.519 -19.641 -11.034 1.00 0.00 C ATOM 823 O MET A 189 22.265 -19.493 -9.841 1.00 0.00 O ATOM 824 CB MET A 189 22.780 -17.718 -12.636 1.00 0.00 C ATOM 825 CG MET A 189 22.142 -17.021 -13.845 1.00 0.00 C ATOM 826 SD MET A 189 21.847 -18.107 -15.264 1.00 0.00 S ATOM 827 CE MET A 189 20.996 -16.931 -16.348 1.00 0.00 C ATOM 0 H MET A 189 20.884 -17.162 -11.181 1.00 0.00 H new ATOM 0 HA MET A 189 21.523 -19.435 -12.898 1.00 0.00 H new ATOM 0 HB2 MET A 189 23.008 -16.985 -11.862 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.724 -18.178 -12.927 1.00 0.00 H new ATOM 0 HG2 MET A 189 21.194 -16.581 -13.537 1.00 0.00 H new ATOM 0 HG3 MET A 189 22.788 -16.201 -14.159 1.00 0.00 H new ATOM 0 HE1 MET A 189 20.732 -17.424 -17.284 1.00 0.00 H new ATOM 0 HE2 MET A 189 20.090 -16.574 -15.858 1.00 0.00 H new ATOM 0 HE3 MET A 189 21.653 -16.087 -16.556 1.00 0.00 H new