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 HD1:sc= -2.07 X(o=-1.6,f=-1.4) USER MOD Set 1.2: A 188 THR OG1 : rot 83:sc= 0.496 USER MOD Set 2.1: A 157 GLN : amide:sc= 0.87 K(o=2.1,f=-8!) USER MOD Set 2.2: A 160 LYS NZ :NH3+ -96:sc= 1.23 (180deg=-0.13) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 159 HIS : no HE2:sc= -1.01 X(o=-1,f=-0.68) USER MOD Single : A 164 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.14) 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= -0.0271 K(o=-0.027,f=-0.55) USER MOD Single : A 182 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0259) USER MOD Single : A 183 ASN : amide:sc= -0.0575 X(o=-0.057,f=0) USER MOD Single : A 186 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 187 SER OG : rot 84:sc= 0.322 USER MOD Single : A 189 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N TRP A 147 13.515 -9.962 -12.713 1.00 0.00 N ATOM 121 CA TRP A 147 14.391 -9.038 -13.415 1.00 0.00 C ATOM 122 C TRP A 147 14.051 -9.053 -14.907 1.00 0.00 C ATOM 123 O TRP A 147 13.467 -10.016 -15.403 1.00 0.00 O ATOM 124 CB TRP A 147 15.852 -9.443 -13.188 1.00 0.00 C ATOM 125 CG TRP A 147 16.405 -9.119 -11.825 1.00 0.00 C ATOM 126 CD1 TRP A 147 15.725 -9.160 -10.662 1.00 0.00 C ATOM 127 CD2 TRP A 147 17.757 -8.704 -11.457 1.00 0.00 C ATOM 128 NE1 TRP A 147 16.523 -8.799 -9.607 1.00 0.00 N ATOM 129 CE2 TRP A 147 17.799 -8.499 -10.040 1.00 0.00 C ATOM 130 CE3 TRP A 147 18.962 -8.478 -12.166 1.00 0.00 C ATOM 131 CZ2 TRP A 147 18.952 -8.088 -9.374 1.00 0.00 C ATOM 132 CZ3 TRP A 147 20.131 -8.062 -11.492 1.00 0.00 C ATOM 133 CH2 TRP A 147 20.119 -7.861 -10.105 1.00 0.00 C ATOM 0 HA TRP A 147 14.248 -8.027 -13.033 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.944 -10.516 -13.354 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.469 -8.950 -13.939 1.00 0.00 H new ATOM 0 HD1 TRP A 147 14.686 -9.441 -10.573 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.216 -8.758 -8.635 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.987 -8.626 -13.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.943 -7.947 -8.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 21.041 -7.897 -12.050 1.00 0.00 H new ATOM 0 HH2 TRP A 147 21.015 -7.530 -9.601 1.00 0.00 H new ATOM 144 N THR A 148 14.418 -7.983 -15.614 1.00 0.00 N ATOM 145 CA THR A 148 14.150 -7.866 -17.040 1.00 0.00 C ATOM 146 C THR A 148 15.186 -8.671 -17.828 1.00 0.00 C ATOM 147 O THR A 148 16.286 -8.911 -17.338 1.00 0.00 O ATOM 148 CB THR A 148 14.192 -6.381 -17.431 1.00 0.00 C ATOM 149 OG1 THR A 148 13.475 -5.625 -16.477 1.00 0.00 O ATOM 150 CG2 THR A 148 13.559 -6.178 -18.812 1.00 0.00 C ATOM 0 H THR A 148 14.905 -7.181 -15.214 1.00 0.00 H new ATOM 0 HA THR A 148 13.163 -8.266 -17.273 1.00 0.00 H new ATOM 0 HB THR A 148 15.231 -6.053 -17.463 1.00 0.00 H new ATOM 0 HG1 THR A 148 13.502 -4.677 -16.724 1.00 0.00 H new ATOM 0 HG21 THR A 148 13.595 -5.121 -19.077 1.00 0.00 H new ATOM 0 HG22 THR A 148 14.110 -6.757 -19.553 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.521 -6.511 -18.789 1.00 0.00 H new ATOM 158 N GLU A 149 14.826 -9.083 -19.052 1.00 0.00 N ATOM 159 CA GLU A 149 15.724 -9.845 -19.914 1.00 0.00 C ATOM 160 C GLU A 149 17.063 -9.118 -20.049 1.00 0.00 C ATOM 161 O GLU A 149 18.120 -9.717 -19.863 1.00 0.00 O ATOM 162 CB GLU A 149 15.069 -10.027 -21.295 1.00 0.00 C ATOM 163 CG GLU A 149 14.622 -11.481 -21.479 1.00 0.00 C ATOM 164 CD GLU A 149 15.822 -12.423 -21.540 1.00 0.00 C ATOM 165 OE1 GLU A 149 16.851 -12.006 -22.120 1.00 0.00 O ATOM 166 OE2 GLU A 149 15.692 -13.543 -21.004 1.00 0.00 O ATOM 0 H GLU A 149 13.912 -8.897 -19.464 1.00 0.00 H new ATOM 0 HA GLU A 149 15.908 -10.825 -19.474 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.212 -9.360 -21.390 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.774 -9.753 -22.080 1.00 0.00 H new ATOM 0 HG2 GLU A 149 13.970 -11.771 -20.655 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.038 -11.572 -22.395 1.00 0.00 H new ATOM 173 N GLU A 150 17.007 -7.819 -20.372 1.00 0.00 N ATOM 174 CA GLU A 150 18.202 -7.008 -20.529 1.00 0.00 C ATOM 175 C GLU A 150 19.012 -7.007 -19.231 1.00 0.00 C ATOM 176 O GLU A 150 20.223 -7.185 -19.262 1.00 0.00 O ATOM 177 CB GLU A 150 17.791 -5.583 -20.921 1.00 0.00 C ATOM 178 CG GLU A 150 19.034 -4.754 -21.255 1.00 0.00 C ATOM 179 CD GLU A 150 18.643 -3.382 -21.788 1.00 0.00 C ATOM 180 OE1 GLU A 150 17.919 -2.674 -21.054 1.00 0.00 O ATOM 181 OE2 GLU A 150 19.071 -3.068 -22.919 1.00 0.00 O ATOM 0 H GLU A 150 16.136 -7.313 -20.529 1.00 0.00 H new ATOM 0 HA GLU A 150 18.831 -7.425 -21.315 1.00 0.00 H new ATOM 0 HB2 GLU A 150 17.121 -5.612 -21.780 1.00 0.00 H new ATOM 0 HB3 GLU A 150 17.241 -5.116 -20.104 1.00 0.00 H new ATOM 0 HG2 GLU A 150 19.651 -4.640 -20.364 1.00 0.00 H new ATOM 0 HG3 GLU A 150 19.638 -5.278 -21.996 1.00 0.00 H new ATOM 188 N GLU A 151 18.332 -6.810 -18.093 1.00 0.00 N ATOM 189 CA GLU A 151 18.984 -6.785 -16.790 1.00 0.00 C ATOM 190 C GLU A 151 19.750 -8.096 -16.562 1.00 0.00 C ATOM 191 O GLU A 151 20.912 -8.075 -16.157 1.00 0.00 O ATOM 192 CB GLU A 151 17.921 -6.571 -15.704 1.00 0.00 C ATOM 193 CG GLU A 151 18.581 -6.125 -14.395 1.00 0.00 C ATOM 194 CD GLU A 151 18.763 -4.614 -14.359 1.00 0.00 C ATOM 195 OE1 GLU A 151 19.784 -4.149 -14.909 1.00 0.00 O ATOM 196 OE2 GLU A 151 17.875 -3.952 -13.778 1.00 0.00 O ATOM 0 H GLU A 151 17.323 -6.665 -18.056 1.00 0.00 H new ATOM 0 HA GLU A 151 19.702 -5.966 -16.747 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.203 -5.819 -16.032 1.00 0.00 H new ATOM 0 HB3 GLU A 151 17.365 -7.495 -15.543 1.00 0.00 H new ATOM 0 HG2 GLU A 151 17.969 -6.441 -13.550 1.00 0.00 H new ATOM 0 HG3 GLU A 151 19.549 -6.614 -14.288 1.00 0.00 H new ATOM 203 N ASP A 152 19.093 -9.236 -16.827 1.00 0.00 N ATOM 204 CA ASP A 152 19.712 -10.544 -16.655 1.00 0.00 C ATOM 205 C ASP A 152 20.914 -10.686 -17.589 1.00 0.00 C ATOM 206 O ASP A 152 21.944 -11.223 -17.195 1.00 0.00 O ATOM 207 CB ASP A 152 18.679 -11.640 -16.935 1.00 0.00 C ATOM 208 CG ASP A 152 19.309 -13.025 -16.810 1.00 0.00 C ATOM 209 OD1 ASP A 152 19.803 -13.328 -15.703 1.00 0.00 O ATOM 210 OD2 ASP A 152 19.288 -13.755 -17.828 1.00 0.00 O ATOM 0 H ASP A 152 18.130 -9.270 -17.162 1.00 0.00 H new ATOM 0 HA ASP A 152 20.064 -10.644 -15.628 1.00 0.00 H new ATOM 0 HB2 ASP A 152 17.848 -11.549 -16.236 1.00 0.00 H new ATOM 0 HB3 ASP A 152 18.268 -11.512 -17.937 1.00 0.00 H new ATOM 215 N ARG A 153 20.781 -10.205 -18.829 1.00 0.00 N ATOM 216 CA ARG A 153 21.859 -10.285 -19.805 1.00 0.00 C ATOM 217 C ARG A 153 23.059 -9.473 -19.323 1.00 0.00 C ATOM 218 O ARG A 153 24.194 -9.950 -19.378 1.00 0.00 O ATOM 219 CB ARG A 153 21.355 -9.774 -21.165 1.00 0.00 C ATOM 220 CG ARG A 153 22.069 -10.505 -22.317 1.00 0.00 C ATOM 221 CD ARG A 153 21.771 -12.017 -22.289 1.00 0.00 C ATOM 222 NE ARG A 153 20.375 -12.292 -21.889 1.00 0.00 N ATOM 223 CZ ARG A 153 20.021 -12.922 -20.743 1.00 0.00 C ATOM 224 NH1 ARG A 153 20.930 -13.540 -19.975 1.00 0.00 N ATOM 225 NH2 ARG A 153 18.744 -12.931 -20.364 1.00 0.00 N ATOM 0 H ARG A 153 19.933 -9.756 -19.176 1.00 0.00 H new ATOM 0 HA ARG A 153 22.177 -11.321 -19.919 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.279 -9.928 -21.241 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.530 -8.701 -21.244 1.00 0.00 H new ATOM 0 HG2 ARG A 153 21.748 -10.086 -23.271 1.00 0.00 H new ATOM 0 HG3 ARG A 153 23.144 -10.342 -22.243 1.00 0.00 H new ATOM 0 HD2 ARG A 153 21.958 -12.443 -23.275 1.00 0.00 H new ATOM 0 HD3 ARG A 153 22.452 -12.509 -21.595 1.00 0.00 H new ATOM 0 HE ARG A 153 19.630 -11.988 -22.516 1.00 0.00 H new ATOM 0 HH11 ARG A 153 21.912 -13.542 -20.249 1.00 0.00 H new ATOM 0 HH12 ARG A 153 20.639 -14.008 -19.116 1.00 0.00 H new ATOM 0 HH21 ARG A 153 18.039 -12.465 -20.936 1.00 0.00 H new ATOM 0 HH22 ARG A 153 18.471 -13.404 -19.502 1.00 0.00 H new ATOM 239 N ILE A 154 22.807 -8.250 -18.842 1.00 0.00 N ATOM 240 CA ILE A 154 23.858 -7.388 -18.331 1.00 0.00 C ATOM 241 C ILE A 154 24.528 -8.067 -17.138 1.00 0.00 C ATOM 242 O ILE A 154 25.749 -8.042 -17.020 1.00 0.00 O ATOM 243 CB ILE A 154 23.258 -6.028 -17.928 1.00 0.00 C ATOM 244 CG1 ILE A 154 22.819 -5.247 -19.186 1.00 0.00 C ATOM 245 CG2 ILE A 154 24.288 -5.210 -17.135 1.00 0.00 C ATOM 246 CD1 ILE A 154 24.021 -4.599 -19.884 1.00 0.00 C ATOM 0 H ILE A 154 21.874 -7.840 -18.800 1.00 0.00 H new ATOM 0 HA ILE A 154 24.610 -7.215 -19.101 1.00 0.00 H new ATOM 0 HB ILE A 154 22.385 -6.203 -17.298 1.00 0.00 H new ATOM 0 HG12 ILE A 154 22.313 -5.921 -19.878 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.099 -4.478 -18.907 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.853 -4.250 -16.855 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.571 -5.756 -16.235 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.171 -5.042 -17.751 1.00 0.00 H new ATOM 0 HD11 ILE A 154 23.681 -4.056 -20.766 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.510 -3.907 -19.199 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.728 -5.373 -20.184 1.00 0.00 H new ATOM 258 N LEU A 155 23.726 -8.681 -16.257 1.00 0.00 N ATOM 259 CA LEU A 155 24.250 -9.370 -15.090 1.00 0.00 C ATOM 260 C LEU A 155 25.172 -10.510 -15.532 1.00 0.00 C ATOM 261 O LEU A 155 26.301 -10.606 -15.067 1.00 0.00 O ATOM 262 CB LEU A 155 23.081 -9.900 -14.236 1.00 0.00 C ATOM 263 CG LEU A 155 23.613 -10.738 -13.060 1.00 0.00 C ATOM 264 CD1 LEU A 155 24.629 -9.929 -12.266 1.00 0.00 C ATOM 265 CD2 LEU A 155 22.459 -11.141 -12.137 1.00 0.00 C ATOM 0 H LEU A 155 22.710 -8.709 -16.339 1.00 0.00 H new ATOM 0 HA LEU A 155 24.833 -8.677 -14.483 1.00 0.00 H new ATOM 0 HB2 LEU A 155 22.490 -9.065 -13.858 1.00 0.00 H new ATOM 0 HB3 LEU A 155 22.418 -10.507 -14.852 1.00 0.00 H new ATOM 0 HG LEU A 155 24.089 -11.635 -13.457 1.00 0.00 H new ATOM 0 HD11 LEU A 155 25.002 -10.528 -11.435 1.00 0.00 H new ATOM 0 HD12 LEU A 155 25.460 -9.651 -12.915 1.00 0.00 H new ATOM 0 HD13 LEU A 155 24.154 -9.028 -11.879 1.00 0.00 H new ATOM 0 HD21 LEU A 155 22.846 -11.734 -11.308 1.00 0.00 H new ATOM 0 HD22 LEU A 155 21.975 -10.245 -11.748 1.00 0.00 H new ATOM 0 HD23 LEU A 155 21.734 -11.731 -12.697 1.00 0.00 H new ATOM 277 N TYR A 156 24.685 -11.371 -16.432 1.00 0.00 N ATOM 278 CA TYR A 156 25.453 -12.511 -16.916 1.00 0.00 C ATOM 279 C TYR A 156 26.785 -12.046 -17.511 1.00 0.00 C ATOM 280 O TYR A 156 27.834 -12.613 -17.204 1.00 0.00 O ATOM 281 CB TYR A 156 24.619 -13.269 -17.958 1.00 0.00 C ATOM 282 CG TYR A 156 24.930 -14.749 -18.053 1.00 0.00 C ATOM 283 CD1 TYR A 156 26.176 -15.186 -18.538 1.00 0.00 C ATOM 284 CD2 TYR A 156 23.961 -15.693 -17.659 1.00 0.00 C ATOM 285 CE1 TYR A 156 26.454 -16.562 -18.623 1.00 0.00 C ATOM 286 CE2 TYR A 156 24.241 -17.067 -17.744 1.00 0.00 C ATOM 287 CZ TYR A 156 25.487 -17.502 -18.225 1.00 0.00 C ATOM 288 OH TYR A 156 25.753 -18.836 -18.306 1.00 0.00 O ATOM 0 H TYR A 156 23.753 -11.294 -16.840 1.00 0.00 H new ATOM 0 HA TYR A 156 25.679 -13.180 -16.086 1.00 0.00 H new ATOM 0 HB2 TYR A 156 23.563 -13.147 -17.719 1.00 0.00 H new ATOM 0 HB3 TYR A 156 24.779 -12.813 -18.935 1.00 0.00 H new ATOM 0 HD1 TYR A 156 26.919 -14.465 -18.845 1.00 0.00 H new ATOM 0 HD2 TYR A 156 23.002 -15.360 -17.291 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.411 -16.897 -18.994 1.00 0.00 H new ATOM 0 HE2 TYR A 156 23.498 -17.789 -17.439 1.00 0.00 H new ATOM 0 HH TYR A 156 24.977 -19.344 -17.990 1.00 0.00 H new ATOM 298 N GLN A 157 26.740 -11.018 -18.360 1.00 0.00 N ATOM 299 CA GLN A 157 27.936 -10.492 -18.999 1.00 0.00 C ATOM 300 C GLN A 157 28.896 -9.936 -17.945 1.00 0.00 C ATOM 301 O GLN A 157 30.054 -10.346 -17.882 1.00 0.00 O ATOM 302 CB GLN A 157 27.526 -9.399 -19.999 1.00 0.00 C ATOM 303 CG GLN A 157 28.763 -8.825 -20.702 1.00 0.00 C ATOM 304 CD GLN A 157 29.480 -9.892 -21.520 1.00 0.00 C ATOM 305 OE1 GLN A 157 30.526 -10.395 -21.113 1.00 0.00 O ATOM 306 NE2 GLN A 157 28.917 -10.240 -22.677 1.00 0.00 N ATOM 0 H GLN A 157 25.880 -10.534 -18.619 1.00 0.00 H new ATOM 0 HA GLN A 157 28.453 -11.289 -19.533 1.00 0.00 H new ATOM 0 HB2 GLN A 157 26.839 -9.812 -20.738 1.00 0.00 H new ATOM 0 HB3 GLN A 157 26.993 -8.603 -19.479 1.00 0.00 H new ATOM 0 HG2 GLN A 157 28.465 -8.003 -21.353 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.447 -8.412 -19.960 1.00 0.00 H new ATOM 0 HE21 GLN A 157 28.048 -9.796 -22.975 1.00 0.00 H new ATOM 0 HE22 GLN A 157 29.355 -10.950 -23.264 1.00 0.00 H new ATOM 315 N ALA A 158 28.409 -8.997 -17.130 1.00 0.00 N ATOM 316 CA ALA A 158 29.217 -8.339 -16.111 1.00 0.00 C ATOM 317 C ALA A 158 29.855 -9.347 -15.165 1.00 0.00 C ATOM 318 O ALA A 158 31.024 -9.207 -14.811 1.00 0.00 O ATOM 319 CB ALA A 158 28.334 -7.386 -15.310 1.00 0.00 C ATOM 0 H ALA A 158 27.442 -8.674 -17.161 1.00 0.00 H new ATOM 0 HA ALA A 158 30.016 -7.792 -16.611 1.00 0.00 H new ATOM 0 HB1 ALA A 158 28.933 -6.891 -14.546 1.00 0.00 H new ATOM 0 HB2 ALA A 158 27.907 -6.638 -15.978 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.531 -7.948 -14.834 1.00 0.00 H new ATOM 325 N HIS A 159 29.078 -10.344 -14.740 1.00 0.00 N ATOM 326 CA HIS A 159 29.534 -11.316 -13.767 1.00 0.00 C ATOM 327 C HIS A 159 30.881 -11.915 -14.152 1.00 0.00 C ATOM 328 O HIS A 159 31.765 -12.012 -13.313 1.00 0.00 O ATOM 329 CB HIS A 159 28.504 -12.428 -13.606 1.00 0.00 C ATOM 330 CG HIS A 159 28.909 -13.361 -12.506 1.00 0.00 C ATOM 331 ND1 HIS A 159 28.923 -14.742 -12.639 1.00 0.00 N ATOM 332 CD2 HIS A 159 29.358 -13.121 -11.240 1.00 0.00 C ATOM 333 CE1 HIS A 159 29.366 -15.235 -11.463 1.00 0.00 C ATOM 334 NE2 HIS A 159 29.650 -14.293 -10.564 1.00 0.00 N ATOM 0 H HIS A 159 28.122 -10.493 -15.063 1.00 0.00 H new ATOM 0 HA HIS A 159 29.657 -10.793 -12.819 1.00 0.00 H new ATOM 0 HB2 HIS A 159 27.527 -11.998 -13.385 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.406 -12.979 -14.541 1.00 0.00 H new ATOM 0 HD1 HIS A 159 28.652 -15.279 -13.463 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.472 -12.134 -10.816 1.00 0.00 H new ATOM 0 HE1 HIS A 159 29.479 -16.291 -11.269 1.00 0.00 H new ATOM 342 N LYS A 160 31.038 -12.337 -15.404 1.00 0.00 N ATOM 343 CA LYS A 160 32.277 -12.967 -15.836 1.00 0.00 C ATOM 344 C LYS A 160 33.259 -11.931 -16.390 1.00 0.00 C ATOM 345 O LYS A 160 34.469 -12.115 -16.286 1.00 0.00 O ATOM 346 CB LYS A 160 31.973 -14.062 -16.873 1.00 0.00 C ATOM 347 CG LYS A 160 31.295 -13.472 -18.117 1.00 0.00 C ATOM 348 CD LYS A 160 30.972 -14.605 -19.097 1.00 0.00 C ATOM 349 CE LYS A 160 30.177 -14.063 -20.289 1.00 0.00 C ATOM 350 NZ LYS A 160 30.971 -13.098 -21.070 1.00 0.00 N ATOM 0 H LYS A 160 30.327 -12.254 -16.131 1.00 0.00 H new ATOM 0 HA LYS A 160 32.753 -13.432 -14.973 1.00 0.00 H new ATOM 0 HB2 LYS A 160 32.898 -14.561 -17.161 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.328 -14.819 -16.428 1.00 0.00 H new ATOM 0 HG2 LYS A 160 30.382 -12.947 -17.835 1.00 0.00 H new ATOM 0 HG3 LYS A 160 31.950 -12.740 -18.591 1.00 0.00 H new ATOM 0 HD2 LYS A 160 31.895 -15.068 -19.446 1.00 0.00 H new ATOM 0 HD3 LYS A 160 30.398 -15.381 -18.591 1.00 0.00 H new ATOM 0 HE2 LYS A 160 29.872 -14.889 -20.931 1.00 0.00 H new ATOM 0 HE3 LYS A 160 29.266 -13.583 -19.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 30.742 -12.131 -20.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 31.984 -13.279 -20.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 30.748 -13.202 -22.080 1.00 0.00 H new ATOM 364 N ARG A 161 32.744 -10.844 -16.984 1.00 0.00 N ATOM 365 CA ARG A 161 33.591 -9.811 -17.569 1.00 0.00 C ATOM 366 C ARG A 161 34.358 -9.071 -16.471 1.00 0.00 C ATOM 367 O ARG A 161 35.586 -9.045 -16.486 1.00 0.00 O ATOM 368 CB ARG A 161 32.724 -8.844 -18.387 1.00 0.00 C ATOM 369 CG ARG A 161 33.617 -7.893 -19.190 1.00 0.00 C ATOM 370 CD ARG A 161 32.746 -6.865 -19.914 1.00 0.00 C ATOM 371 NE ARG A 161 33.571 -5.840 -20.571 1.00 0.00 N ATOM 372 CZ ARG A 161 34.199 -6.034 -21.747 1.00 0.00 C ATOM 373 NH1 ARG A 161 34.106 -7.213 -22.379 1.00 0.00 N ATOM 374 NH2 ARG A 161 34.919 -5.043 -22.287 1.00 0.00 N ATOM 0 H ARG A 161 31.744 -10.664 -17.068 1.00 0.00 H new ATOM 0 HA ARG A 161 34.322 -10.271 -18.234 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.076 -9.404 -19.061 1.00 0.00 H new ATOM 0 HB3 ARG A 161 32.075 -8.273 -17.723 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.318 -7.388 -18.526 1.00 0.00 H new ATOM 0 HG3 ARG A 161 34.210 -8.456 -19.911 1.00 0.00 H new ATOM 0 HD2 ARG A 161 32.126 -7.368 -20.656 1.00 0.00 H new ATOM 0 HD3 ARG A 161 32.070 -6.391 -19.202 1.00 0.00 H new ATOM 0 HE ARG A 161 33.673 -4.935 -20.112 1.00 0.00 H new ATOM 0 HH11 ARG A 161 33.557 -7.969 -21.970 1.00 0.00 H new ATOM 0 HH12 ARG A 161 34.584 -7.354 -23.269 1.00 0.00 H new ATOM 0 HH21 ARG A 161 34.991 -4.145 -21.808 1.00 0.00 H new ATOM 0 HH22 ARG A 161 35.396 -5.186 -23.177 1.00 0.00 H new ATOM 388 N LEU A 162 33.628 -8.472 -15.524 1.00 0.00 N ATOM 389 CA LEU A 162 34.238 -7.733 -14.425 1.00 0.00 C ATOM 390 C LEU A 162 34.611 -8.708 -13.314 1.00 0.00 C ATOM 391 O LEU A 162 35.692 -8.611 -12.735 1.00 0.00 O ATOM 392 CB LEU A 162 33.252 -6.682 -13.881 1.00 0.00 C ATOM 393 CG LEU A 162 33.165 -5.438 -14.794 1.00 0.00 C ATOM 394 CD1 LEU A 162 34.541 -4.773 -14.934 1.00 0.00 C ATOM 395 CD2 LEU A 162 32.629 -5.820 -16.176 1.00 0.00 C ATOM 0 H LEU A 162 32.608 -8.488 -15.501 1.00 0.00 H new ATOM 0 HA LEU A 162 35.132 -7.223 -14.785 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.263 -7.130 -13.784 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.563 -6.377 -12.882 1.00 0.00 H new ATOM 0 HG LEU A 162 32.477 -4.729 -14.334 1.00 0.00 H new ATOM 0 HD11 LEU A 162 34.459 -3.899 -15.580 1.00 0.00 H new ATOM 0 HD12 LEU A 162 34.898 -4.465 -13.951 1.00 0.00 H new ATOM 0 HD13 LEU A 162 35.245 -5.482 -15.370 1.00 0.00 H new ATOM 0 HD21 LEU A 162 32.575 -4.931 -16.804 1.00 0.00 H new ATOM 0 HD22 LEU A 162 33.296 -6.549 -16.636 1.00 0.00 H new ATOM 0 HD23 LEU A 162 31.634 -6.253 -16.073 1.00 0.00 H new ATOM 407 N GLY A 163 33.701 -9.643 -13.016 1.00 0.00 N ATOM 408 CA GLY A 163 33.896 -10.622 -11.960 1.00 0.00 C ATOM 409 C GLY A 163 32.735 -10.533 -10.978 1.00 0.00 C ATOM 410 O GLY A 163 31.652 -10.075 -11.333 1.00 0.00 O ATOM 0 H GLY A 163 32.811 -9.735 -13.505 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.955 -11.625 -12.383 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.839 -10.437 -11.445 1.00 0.00 H new ATOM 414 N ASN A 164 32.965 -10.962 -9.740 1.00 0.00 N ATOM 415 CA ASN A 164 31.944 -10.910 -8.703 1.00 0.00 C ATOM 416 C ASN A 164 32.076 -9.608 -7.902 1.00 0.00 C ATOM 417 O ASN A 164 31.591 -9.516 -6.773 1.00 0.00 O ATOM 418 CB ASN A 164 32.090 -12.151 -7.823 1.00 0.00 C ATOM 419 CG ASN A 164 33.402 -12.129 -7.038 1.00 0.00 C ATOM 420 OD1 ASN A 164 34.381 -12.741 -7.452 1.00 0.00 O ATOM 421 ND2 ASN A 164 33.419 -11.424 -5.908 1.00 0.00 N ATOM 0 H ASN A 164 33.856 -11.351 -9.431 1.00 0.00 H new ATOM 0 HA ASN A 164 30.945 -10.911 -9.139 1.00 0.00 H new ATOM 0 HB2 ASN A 164 31.251 -12.208 -7.130 1.00 0.00 H new ATOM 0 HB3 ASN A 164 32.051 -13.046 -8.444 1.00 0.00 H new ATOM 0 HD21 ASN A 164 34.271 -11.378 -5.349 1.00 0.00 H new ATOM 0 HD22 ASN A 164 32.580 -10.930 -5.602 1.00 0.00 H new ATOM 428 N ARG A 165 32.730 -8.597 -8.501 1.00 0.00 N ATOM 429 CA ARG A 165 32.913 -7.295 -7.876 1.00 0.00 C ATOM 430 C ARG A 165 31.628 -6.486 -8.044 1.00 0.00 C ATOM 431 O ARG A 165 31.591 -5.503 -8.782 1.00 0.00 O ATOM 432 CB ARG A 165 34.103 -6.585 -8.533 1.00 0.00 C ATOM 433 CG ARG A 165 35.403 -7.341 -8.218 1.00 0.00 C ATOM 434 CD ARG A 165 36.495 -6.927 -9.211 1.00 0.00 C ATOM 435 NE ARG A 165 36.660 -5.468 -9.247 1.00 0.00 N ATOM 436 CZ ARG A 165 37.342 -4.772 -8.318 1.00 0.00 C ATOM 437 NH1 ARG A 165 37.951 -5.408 -7.307 1.00 0.00 N ATOM 438 NH2 ARG A 165 37.411 -3.439 -8.404 1.00 0.00 N ATOM 0 H ARG A 165 33.142 -8.669 -9.431 1.00 0.00 H new ATOM 0 HA ARG A 165 33.123 -7.403 -6.812 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.955 -6.532 -9.612 1.00 0.00 H new ATOM 0 HB3 ARG A 165 34.171 -5.560 -8.170 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.723 -7.124 -7.199 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.233 -8.416 -8.277 1.00 0.00 H new ATOM 0 HD2 ARG A 165 37.439 -7.395 -8.932 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.241 -7.291 -10.207 1.00 0.00 H new ATOM 0 HE ARG A 165 36.234 -4.954 -10.018 1.00 0.00 H new ATOM 0 HH11 ARG A 165 37.899 -6.424 -7.239 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.466 -4.875 -6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 165 36.948 -2.953 -9.172 1.00 0.00 H new ATOM 0 HH22 ARG A 165 37.927 -2.909 -7.702 1.00 0.00 H new ATOM 452 N TRP A 166 30.572 -6.918 -7.356 1.00 0.00 N ATOM 453 CA TRP A 166 29.263 -6.293 -7.447 1.00 0.00 C ATOM 454 C TRP A 166 29.318 -4.804 -7.098 1.00 0.00 C ATOM 455 O TRP A 166 28.518 -4.024 -7.615 1.00 0.00 O ATOM 456 CB TRP A 166 28.305 -7.040 -6.529 1.00 0.00 C ATOM 457 CG TRP A 166 28.174 -8.497 -6.845 1.00 0.00 C ATOM 458 CD1 TRP A 166 28.366 -9.510 -5.984 1.00 0.00 C ATOM 459 CD2 TRP A 166 27.841 -9.130 -8.115 1.00 0.00 C ATOM 460 NE1 TRP A 166 28.168 -10.722 -6.596 1.00 0.00 N ATOM 461 CE2 TRP A 166 27.835 -10.549 -7.926 1.00 0.00 C ATOM 462 CE3 TRP A 166 27.543 -8.659 -9.415 1.00 0.00 C ATOM 463 CZ2 TRP A 166 27.541 -11.440 -8.958 1.00 0.00 C ATOM 464 CZ3 TRP A 166 27.259 -9.555 -10.459 1.00 0.00 C ATOM 465 CH2 TRP A 166 27.248 -10.942 -10.232 1.00 0.00 C ATOM 0 H TRP A 166 30.605 -7.714 -6.719 1.00 0.00 H new ATOM 0 HA TRP A 166 28.909 -6.353 -8.476 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.645 -6.931 -5.499 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.321 -6.575 -6.591 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.640 -9.387 -4.947 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.255 -11.627 -6.133 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.534 -7.596 -9.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.540 -12.504 -8.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 27.047 -9.174 -11.447 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.014 -11.621 -11.039 1.00 0.00 H new ATOM 476 N ALA A 167 30.254 -4.413 -6.229 1.00 0.00 N ATOM 477 CA ALA A 167 30.395 -3.028 -5.804 1.00 0.00 C ATOM 478 C ALA A 167 30.475 -2.085 -7.011 1.00 0.00 C ATOM 479 O ALA A 167 29.723 -1.114 -7.087 1.00 0.00 O ATOM 480 CB ALA A 167 31.649 -2.896 -4.937 1.00 0.00 C ATOM 0 H ALA A 167 30.930 -5.048 -5.805 1.00 0.00 H new ATOM 0 HA ALA A 167 29.517 -2.744 -5.223 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.761 -1.861 -4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.556 -3.540 -4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.524 -3.193 -5.515 1.00 0.00 H new ATOM 486 N GLU A 168 31.392 -2.363 -7.949 1.00 0.00 N ATOM 487 CA GLU A 168 31.584 -1.506 -9.115 1.00 0.00 C ATOM 488 C GLU A 168 30.622 -1.885 -10.245 1.00 0.00 C ATOM 489 O GLU A 168 30.224 -1.027 -11.023 1.00 0.00 O ATOM 490 CB GLU A 168 33.048 -1.580 -9.579 1.00 0.00 C ATOM 491 CG GLU A 168 33.386 -2.982 -10.102 1.00 0.00 C ATOM 492 CD GLU A 168 34.861 -3.095 -10.469 1.00 0.00 C ATOM 493 OE1 GLU A 168 35.627 -2.195 -10.060 1.00 0.00 O ATOM 494 OE2 GLU A 168 35.200 -4.087 -11.147 1.00 0.00 O ATOM 0 H GLU A 168 32.009 -3.175 -7.918 1.00 0.00 H new ATOM 0 HA GLU A 168 31.360 -0.477 -8.834 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.223 -0.843 -10.363 1.00 0.00 H new ATOM 0 HB3 GLU A 168 33.710 -1.327 -8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.140 -3.725 -9.343 1.00 0.00 H new ATOM 0 HG3 GLU A 168 32.773 -3.204 -10.976 1.00 0.00 H new ATOM 501 N ILE A 169 30.246 -3.163 -10.345 1.00 0.00 N ATOM 502 CA ILE A 169 29.346 -3.623 -11.398 1.00 0.00 C ATOM 503 C ILE A 169 27.981 -2.946 -11.270 1.00 0.00 C ATOM 504 O ILE A 169 27.380 -2.577 -12.280 1.00 0.00 O ATOM 505 CB ILE A 169 29.202 -5.143 -11.305 1.00 0.00 C ATOM 506 CG1 ILE A 169 30.507 -5.807 -11.759 1.00 0.00 C ATOM 507 CG2 ILE A 169 28.042 -5.623 -12.188 1.00 0.00 C ATOM 508 CD1 ILE A 169 30.516 -7.278 -11.347 1.00 0.00 C ATOM 0 H ILE A 169 30.554 -3.896 -9.706 1.00 0.00 H new ATOM 0 HA ILE A 169 29.762 -3.358 -12.370 1.00 0.00 H new ATOM 0 HB ILE A 169 28.992 -5.418 -10.271 1.00 0.00 H new ATOM 0 HG12 ILE A 169 30.610 -5.723 -12.841 1.00 0.00 H new ATOM 0 HG13 ILE A 169 31.360 -5.292 -11.317 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.951 -6.707 -12.112 1.00 0.00 H new ATOM 0 HG22 ILE A 169 27.115 -5.157 -11.855 1.00 0.00 H new ATOM 0 HG23 ILE A 169 28.235 -5.347 -13.225 1.00 0.00 H new ATOM 0 HD11 ILE A 169 31.447 -7.742 -11.674 1.00 0.00 H new ATOM 0 HD12 ILE A 169 30.434 -7.353 -10.263 1.00 0.00 H new ATOM 0 HD13 ILE A 169 29.673 -7.791 -11.810 1.00 0.00 H new ATOM 520 N ALA A 170 27.488 -2.787 -10.035 1.00 0.00 N ATOM 521 CA ALA A 170 26.179 -2.191 -9.804 1.00 0.00 C ATOM 522 C ALA A 170 26.108 -0.765 -10.346 1.00 0.00 C ATOM 523 O ALA A 170 25.017 -0.226 -10.490 1.00 0.00 O ATOM 524 CB ALA A 170 25.850 -2.212 -8.320 1.00 0.00 C ATOM 0 H ALA A 170 27.980 -3.064 -9.186 1.00 0.00 H new ATOM 0 HA ALA A 170 25.440 -2.785 -10.342 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.869 -1.764 -8.158 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.842 -3.242 -7.964 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.603 -1.645 -7.772 1.00 0.00 H new ATOM 530 N LYS A 171 27.257 -0.150 -10.658 1.00 0.00 N ATOM 531 CA LYS A 171 27.275 1.188 -11.228 1.00 0.00 C ATOM 532 C LYS A 171 26.485 1.189 -12.541 1.00 0.00 C ATOM 533 O LYS A 171 25.868 2.192 -12.893 1.00 0.00 O ATOM 534 CB LYS A 171 28.721 1.624 -11.468 1.00 0.00 C ATOM 535 CG LYS A 171 29.422 1.859 -10.123 1.00 0.00 C ATOM 536 CD LYS A 171 30.920 2.111 -10.343 1.00 0.00 C ATOM 537 CE LYS A 171 31.133 3.456 -11.045 1.00 0.00 C ATOM 538 NZ LYS A 171 32.566 3.792 -11.113 1.00 0.00 N ATOM 0 H LYS A 171 28.180 -0.563 -10.523 1.00 0.00 H new ATOM 0 HA LYS A 171 26.811 1.892 -10.537 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.251 0.860 -12.037 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.741 2.537 -12.064 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.973 2.712 -9.615 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.283 0.993 -9.476 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.441 2.106 -9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 171 31.347 1.308 -10.943 1.00 0.00 H new ATOM 0 HE2 LYS A 171 30.717 3.415 -12.052 1.00 0.00 H new ATOM 0 HE3 LYS A 171 30.597 4.239 -10.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.686 4.707 -11.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 32.955 3.852 -10.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 33.071 3.054 -11.644 1.00 0.00 H new ATOM 552 N LEU A 172 26.509 0.054 -13.255 1.00 0.00 N ATOM 553 CA LEU A 172 25.790 -0.092 -14.511 1.00 0.00 C ATOM 554 C LEU A 172 24.340 -0.505 -14.233 1.00 0.00 C ATOM 555 O LEU A 172 23.460 -0.253 -15.054 1.00 0.00 O ATOM 556 CB LEU A 172 26.477 -1.157 -15.389 1.00 0.00 C ATOM 557 CG LEU A 172 27.812 -0.654 -15.989 1.00 0.00 C ATOM 558 CD1 LEU A 172 27.606 0.672 -16.731 1.00 0.00 C ATOM 559 CD2 LEU A 172 28.872 -0.474 -14.895 1.00 0.00 C ATOM 0 H LEU A 172 27.026 -0.779 -12.973 1.00 0.00 H new ATOM 0 HA LEU A 172 25.797 0.862 -15.038 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.663 -2.050 -14.793 1.00 0.00 H new ATOM 0 HB3 LEU A 172 25.805 -1.447 -16.197 1.00 0.00 H new ATOM 0 HG LEU A 172 28.162 -1.406 -16.696 1.00 0.00 H new ATOM 0 HD11 LEU A 172 28.556 1.009 -17.145 1.00 0.00 H new ATOM 0 HD12 LEU A 172 26.888 0.529 -17.539 1.00 0.00 H new ATOM 0 HD13 LEU A 172 27.227 1.422 -16.037 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.801 -0.120 -15.343 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.521 0.254 -14.164 1.00 0.00 H new ATOM 0 HD23 LEU A 172 29.049 -1.429 -14.399 1.00 0.00 H new ATOM 571 N LEU A 173 24.093 -1.147 -13.080 1.00 0.00 N ATOM 572 CA LEU A 173 22.758 -1.613 -12.729 1.00 0.00 C ATOM 573 C LEU A 173 21.917 -0.443 -12.196 1.00 0.00 C ATOM 574 O LEU A 173 22.420 0.374 -11.428 1.00 0.00 O ATOM 575 CB LEU A 173 22.856 -2.730 -11.687 1.00 0.00 C ATOM 576 CG LEU A 173 23.694 -3.905 -12.225 1.00 0.00 C ATOM 577 CD1 LEU A 173 23.725 -5.023 -11.182 1.00 0.00 C ATOM 578 CD2 LEU A 173 23.081 -4.449 -13.520 1.00 0.00 C ATOM 0 H LEU A 173 24.806 -1.351 -12.380 1.00 0.00 H new ATOM 0 HA LEU A 173 22.269 -2.010 -13.618 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.308 -2.343 -10.773 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.857 -3.079 -11.426 1.00 0.00 H new ATOM 0 HG LEU A 173 24.705 -3.551 -12.429 1.00 0.00 H new ATOM 0 HD11 LEU A 173 24.317 -5.856 -11.560 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.171 -4.649 -10.261 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.709 -5.362 -10.981 1.00 0.00 H new ATOM 0 HD21 LEU A 173 23.685 -5.279 -13.888 1.00 0.00 H new ATOM 0 HD22 LEU A 173 22.067 -4.797 -13.324 1.00 0.00 H new ATOM 0 HD23 LEU A 173 23.055 -3.659 -14.270 1.00 0.00 H new ATOM 590 N PRO A 174 20.628 -0.352 -12.605 1.00 0.00 N ATOM 591 CA PRO A 174 19.741 0.716 -12.179 1.00 0.00 C ATOM 592 C PRO A 174 19.312 0.519 -10.715 1.00 0.00 C ATOM 593 O PRO A 174 18.162 0.180 -10.439 1.00 0.00 O ATOM 594 CB PRO A 174 18.544 0.640 -13.136 1.00 0.00 C ATOM 595 CG PRO A 174 18.584 -0.759 -13.752 1.00 0.00 C ATOM 596 CD PRO A 174 19.999 -1.291 -13.516 1.00 0.00 C ATOM 0 HA PRO A 174 20.221 1.694 -12.216 1.00 0.00 H new ATOM 0 HB2 PRO A 174 17.608 0.805 -12.603 1.00 0.00 H new ATOM 0 HB3 PRO A 174 18.612 1.408 -13.907 1.00 0.00 H new ATOM 0 HG2 PRO A 174 17.842 -1.409 -13.289 1.00 0.00 H new ATOM 0 HG3 PRO A 174 18.355 -0.722 -14.817 1.00 0.00 H new ATOM 0 HD2 PRO A 174 19.974 -2.293 -13.088 1.00 0.00 H new ATOM 0 HD3 PRO A 174 20.553 -1.358 -14.452 1.00 0.00 H new ATOM 604 N GLY A 175 20.240 0.740 -9.780 1.00 0.00 N ATOM 605 CA GLY A 175 19.950 0.626 -8.359 1.00 0.00 C ATOM 606 C GLY A 175 19.801 -0.838 -7.949 1.00 0.00 C ATOM 607 O GLY A 175 18.682 -1.337 -7.823 1.00 0.00 O ATOM 0 H GLY A 175 21.204 1.000 -9.990 1.00 0.00 H new ATOM 0 HA2 GLY A 175 20.750 1.090 -7.782 1.00 0.00 H new ATOM 0 HA3 GLY A 175 19.034 1.168 -8.126 1.00 0.00 H new ATOM 611 N ARG A 176 20.934 -1.517 -7.732 1.00 0.00 N ATOM 612 CA ARG A 176 20.948 -2.908 -7.293 1.00 0.00 C ATOM 613 C ARG A 176 22.055 -3.074 -6.257 1.00 0.00 C ATOM 614 O ARG A 176 23.213 -2.785 -6.544 1.00 0.00 O ATOM 615 CB ARG A 176 21.205 -3.841 -8.490 1.00 0.00 C ATOM 616 CG ARG A 176 20.048 -3.789 -9.502 1.00 0.00 C ATOM 617 CD ARG A 176 18.795 -4.450 -8.919 1.00 0.00 C ATOM 618 NE ARG A 176 17.772 -4.629 -9.959 1.00 0.00 N ATOM 619 CZ ARG A 176 17.037 -3.614 -10.453 1.00 0.00 C ATOM 620 NH1 ARG A 176 17.153 -2.382 -9.941 1.00 0.00 N ATOM 621 NH2 ARG A 176 16.188 -3.837 -11.462 1.00 0.00 N ATOM 0 H ARG A 176 21.863 -1.114 -7.857 1.00 0.00 H new ATOM 0 HA ARG A 176 19.984 -3.169 -6.857 1.00 0.00 H new ATOM 0 HB2 ARG A 176 22.134 -3.555 -8.983 1.00 0.00 H new ATOM 0 HB3 ARG A 176 21.334 -4.863 -8.135 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.832 -2.753 -9.763 1.00 0.00 H new ATOM 0 HG3 ARG A 176 20.339 -4.296 -10.422 1.00 0.00 H new ATOM 0 HD2 ARG A 176 19.055 -5.416 -8.487 1.00 0.00 H new ATOM 0 HD3 ARG A 176 18.396 -3.837 -8.111 1.00 0.00 H new ATOM 0 HE ARG A 176 17.611 -5.568 -10.324 1.00 0.00 H new ATOM 0 HH11 ARG A 176 17.801 -2.208 -9.173 1.00 0.00 H new ATOM 0 HH12 ARG A 176 16.594 -1.618 -10.320 1.00 0.00 H new ATOM 0 HH21 ARG A 176 16.098 -4.774 -11.855 1.00 0.00 H new ATOM 0 HH22 ARG A 176 15.630 -3.070 -11.838 1.00 0.00 H new ATOM 635 N THR A 177 21.706 -3.537 -5.048 1.00 0.00 N ATOM 636 CA THR A 177 22.696 -3.733 -3.995 1.00 0.00 C ATOM 637 C THR A 177 23.440 -5.053 -4.234 1.00 0.00 C ATOM 638 O THR A 177 22.889 -5.986 -4.819 1.00 0.00 O ATOM 639 CB THR A 177 22.022 -3.687 -2.611 1.00 0.00 C ATOM 640 OG1 THR A 177 22.998 -3.882 -1.610 1.00 0.00 O ATOM 641 CG2 THR A 177 20.950 -4.769 -2.484 1.00 0.00 C ATOM 0 H THR A 177 20.751 -3.779 -4.782 1.00 0.00 H new ATOM 0 HA THR A 177 23.428 -2.926 -4.019 1.00 0.00 H new ATOM 0 HB THR A 177 21.547 -2.713 -2.493 1.00 0.00 H new ATOM 0 HG1 THR A 177 22.572 -3.852 -0.728 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.491 -4.713 -1.497 1.00 0.00 H new ATOM 0 HG22 THR A 177 20.187 -4.617 -3.248 1.00 0.00 H new ATOM 0 HG23 THR A 177 21.406 -5.750 -2.617 1.00 0.00 H new ATOM 649 N ASP A 178 24.702 -5.104 -3.788 1.00 0.00 N ATOM 650 CA ASP A 178 25.584 -6.252 -3.984 1.00 0.00 C ATOM 651 C ASP A 178 24.865 -7.584 -3.762 1.00 0.00 C ATOM 652 O ASP A 178 24.846 -8.438 -4.653 1.00 0.00 O ATOM 653 CB ASP A 178 26.774 -6.132 -3.025 1.00 0.00 C ATOM 654 CG ASP A 178 27.594 -4.880 -3.312 1.00 0.00 C ATOM 655 OD1 ASP A 178 27.032 -3.777 -3.129 1.00 0.00 O ATOM 656 OD2 ASP A 178 28.768 -5.049 -3.708 1.00 0.00 O ATOM 0 H ASP A 178 25.140 -4.338 -3.276 1.00 0.00 H new ATOM 0 HA ASP A 178 25.924 -6.244 -5.019 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.413 -6.105 -1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 178 27.408 -7.014 -3.117 1.00 0.00 H new ATOM 661 N ASN A 179 24.297 -7.772 -2.572 1.00 0.00 N ATOM 662 CA ASN A 179 23.669 -9.037 -2.210 1.00 0.00 C ATOM 663 C ASN A 179 22.415 -9.319 -3.041 1.00 0.00 C ATOM 664 O ASN A 179 22.060 -10.472 -3.225 1.00 0.00 O ATOM 665 CB ASN A 179 23.328 -9.035 -0.722 1.00 0.00 C ATOM 666 CG ASN A 179 24.512 -8.569 0.120 1.00 0.00 C ATOM 667 OD1 ASN A 179 24.656 -7.378 0.381 1.00 0.00 O ATOM 668 ND2 ASN A 179 25.360 -9.508 0.540 1.00 0.00 N ATOM 0 H ASN A 179 24.260 -7.061 -1.842 1.00 0.00 H new ATOM 0 HA ASN A 179 24.381 -9.834 -2.424 1.00 0.00 H new ATOM 0 HB2 ASN A 179 22.474 -8.382 -0.544 1.00 0.00 H new ATOM 0 HB3 ASN A 179 23.033 -10.038 -0.414 1.00 0.00 H new ATOM 0 HD21 ASN A 179 26.170 -9.249 1.103 1.00 0.00 H new ATOM 0 HD22 ASN A 179 25.199 -10.486 0.298 1.00 0.00 H new ATOM 675 N ALA A 180 21.735 -8.288 -3.541 1.00 0.00 N ATOM 676 CA ALA A 180 20.525 -8.495 -4.330 1.00 0.00 C ATOM 677 C ALA A 180 20.888 -9.092 -5.688 1.00 0.00 C ATOM 678 O ALA A 180 20.131 -9.884 -6.244 1.00 0.00 O ATOM 679 CB ALA A 180 19.784 -7.171 -4.507 1.00 0.00 C ATOM 0 H ALA A 180 21.999 -7.311 -3.415 1.00 0.00 H new ATOM 0 HA ALA A 180 19.869 -9.191 -3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.882 -7.335 -5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 180 19.511 -6.773 -3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 180 20.429 -6.459 -5.021 1.00 0.00 H new ATOM 685 N ILE A 181 22.051 -8.706 -6.216 1.00 0.00 N ATOM 686 CA ILE A 181 22.513 -9.177 -7.512 1.00 0.00 C ATOM 687 C ILE A 181 22.925 -10.623 -7.408 1.00 0.00 C ATOM 688 O ILE A 181 22.437 -11.465 -8.152 1.00 0.00 O ATOM 689 CB ILE A 181 23.685 -8.315 -7.974 1.00 0.00 C ATOM 690 CG1 ILE A 181 23.220 -6.872 -8.062 1.00 0.00 C ATOM 691 CG2 ILE A 181 24.164 -8.786 -9.342 1.00 0.00 C ATOM 692 CD1 ILE A 181 24.375 -5.927 -7.736 1.00 0.00 C ATOM 0 H ILE A 181 22.693 -8.061 -5.755 1.00 0.00 H new ATOM 0 HA ILE A 181 21.708 -9.098 -8.243 1.00 0.00 H new ATOM 0 HB ILE A 181 24.509 -8.398 -7.266 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.841 -6.664 -9.063 1.00 0.00 H new ATOM 0 HG13 ILE A 181 22.396 -6.704 -7.368 1.00 0.00 H new ATOM 0 HG21 ILE A 181 25.001 -8.168 -9.667 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.485 -9.826 -9.277 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.349 -8.702 -10.061 1.00 0.00 H new ATOM 0 HD11 ILE A 181 24.030 -4.895 -7.802 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.734 -6.126 -6.726 1.00 0.00 H new ATOM 0 HD13 ILE A 181 25.186 -6.085 -8.447 1.00 0.00 H new ATOM 704 N LYS A 182 23.822 -10.913 -6.477 1.00 0.00 N ATOM 705 CA LYS A 182 24.269 -12.265 -6.271 1.00 0.00 C ATOM 706 C LYS A 182 23.068 -13.127 -5.878 1.00 0.00 C ATOM 707 O LYS A 182 22.996 -14.289 -6.262 1.00 0.00 O ATOM 708 CB LYS A 182 25.387 -12.279 -5.216 1.00 0.00 C ATOM 709 CG LYS A 182 25.144 -13.360 -4.169 1.00 0.00 C ATOM 710 CD LYS A 182 24.180 -12.816 -3.107 1.00 0.00 C ATOM 711 CE LYS A 182 24.839 -12.854 -1.724 1.00 0.00 C ATOM 712 NZ LYS A 182 25.041 -14.242 -1.268 1.00 0.00 N ATOM 0 H LYS A 182 24.249 -10.224 -5.857 1.00 0.00 H new ATOM 0 HA LYS A 182 24.690 -12.684 -7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 182 26.347 -12.450 -5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 182 25.444 -11.305 -4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.725 -14.251 -4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.086 -13.656 -3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 182 23.895 -11.793 -3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 182 23.265 -13.409 -3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 182 25.798 -12.337 -1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 182 24.216 -12.320 -1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 25.312 -14.242 -0.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 24.158 -14.779 -1.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 25.795 -14.686 -1.830 1.00 0.00 H new ATOM 726 N ASN A 183 22.115 -12.565 -5.118 1.00 0.00 N ATOM 727 CA ASN A 183 20.939 -13.316 -4.725 1.00 0.00 C ATOM 728 C ASN A 183 20.167 -13.683 -5.978 1.00 0.00 C ATOM 729 O ASN A 183 19.763 -14.829 -6.145 1.00 0.00 O ATOM 730 CB ASN A 183 20.074 -12.499 -3.763 1.00 0.00 C ATOM 731 CG ASN A 183 18.757 -13.215 -3.473 1.00 0.00 C ATOM 732 OD1 ASN A 183 18.686 -14.040 -2.568 1.00 0.00 O ATOM 733 ND2 ASN A 183 17.716 -12.897 -4.243 1.00 0.00 N ATOM 0 H ASN A 183 22.145 -11.605 -4.773 1.00 0.00 H new ATOM 0 HA ASN A 183 21.234 -14.224 -4.200 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.616 -12.334 -2.832 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.872 -11.518 -4.193 1.00 0.00 H new ATOM 0 HD21 ASN A 183 16.813 -13.346 -4.091 1.00 0.00 H new ATOM 0 HD22 ASN A 183 17.823 -12.204 -4.984 1.00 0.00 H new ATOM 740 N HIS A 184 19.978 -12.704 -6.871 1.00 0.00 N ATOM 741 CA HIS A 184 19.306 -12.942 -8.129 1.00 0.00 C ATOM 742 C HIS A 184 20.060 -14.027 -8.904 1.00 0.00 C ATOM 743 O HIS A 184 19.445 -14.862 -9.561 1.00 0.00 O ATOM 744 CB HIS A 184 19.244 -11.646 -8.946 1.00 0.00 C ATOM 745 CG HIS A 184 18.464 -11.835 -10.217 1.00 0.00 C ATOM 746 ND1 HIS A 184 17.125 -12.199 -10.231 1.00 0.00 N ATOM 747 CD2 HIS A 184 18.819 -11.748 -11.537 1.00 0.00 C ATOM 748 CE1 HIS A 184 16.768 -12.306 -11.524 1.00 0.00 C ATOM 749 NE2 HIS A 184 17.758 -12.044 -12.373 1.00 0.00 N ATOM 0 H HIS A 184 20.286 -11.741 -6.734 1.00 0.00 H new ATOM 0 HA HIS A 184 18.286 -13.278 -7.941 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.784 -10.859 -8.348 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.255 -11.315 -9.184 1.00 0.00 H new ATOM 0 HD2 HIS A 184 19.807 -11.481 -11.883 1.00 0.00 H new ATOM 0 HE1 HIS A 184 15.773 -12.579 -11.842 1.00 0.00 H new ATOM 0 HE2 HIS A 184 17.739 -12.058 -13.393 1.00 0.00 H new ATOM 757 N TRP A 185 21.399 -14.005 -8.818 1.00 0.00 N ATOM 758 CA TRP A 185 22.242 -14.964 -9.513 1.00 0.00 C ATOM 759 C TRP A 185 22.011 -16.381 -8.982 1.00 0.00 C ATOM 760 O TRP A 185 21.803 -17.307 -9.757 1.00 0.00 O ATOM 761 CB TRP A 185 23.712 -14.557 -9.358 1.00 0.00 C ATOM 762 CG TRP A 185 24.643 -15.198 -10.338 1.00 0.00 C ATOM 763 CD1 TRP A 185 25.640 -16.043 -10.032 1.00 0.00 C ATOM 764 CD2 TRP A 185 24.686 -15.061 -11.789 1.00 0.00 C ATOM 765 NE1 TRP A 185 26.313 -16.442 -11.161 1.00 0.00 N ATOM 766 CE2 TRP A 185 25.763 -15.861 -12.288 1.00 0.00 C ATOM 767 CE3 TRP A 185 23.932 -14.343 -12.744 1.00 0.00 C ATOM 768 CZ2 TRP A 185 26.070 -15.936 -13.650 1.00 0.00 C ATOM 769 CZ3 TRP A 185 24.240 -14.423 -14.118 1.00 0.00 C ATOM 770 CH2 TRP A 185 25.306 -15.219 -14.563 1.00 0.00 C ATOM 0 H TRP A 185 21.917 -13.322 -8.265 1.00 0.00 H new ATOM 0 HA TRP A 185 21.981 -14.963 -10.571 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.788 -13.474 -9.459 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.040 -14.806 -8.349 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.881 -16.367 -9.030 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.109 -17.079 -11.167 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.109 -13.725 -12.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 26.894 -16.546 -13.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 23.651 -13.867 -14.833 1.00 0.00 H new ATOM 0 HH2 TRP A 185 25.533 -15.275 -15.617 1.00 0.00 H new ATOM 781 N ASN A 186 22.057 -16.544 -7.660 1.00 0.00 N ATOM 782 CA ASN A 186 21.902 -17.847 -7.030 1.00 0.00 C ATOM 783 C ASN A 186 20.479 -18.381 -7.202 1.00 0.00 C ATOM 784 O ASN A 186 20.293 -19.565 -7.462 1.00 0.00 O ATOM 785 CB ASN A 186 22.248 -17.721 -5.544 1.00 0.00 C ATOM 786 CG ASN A 186 22.042 -19.049 -4.822 1.00 0.00 C ATOM 787 OD1 ASN A 186 21.122 -19.186 -4.022 1.00 0.00 O ATOM 788 ND2 ASN A 186 22.901 -20.027 -5.106 1.00 0.00 N ATOM 0 H ASN A 186 22.202 -15.778 -7.002 1.00 0.00 H new ATOM 0 HA ASN A 186 22.577 -18.556 -7.510 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.284 -17.400 -5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 186 21.625 -16.953 -5.085 1.00 0.00 H new ATOM 0 HD21 ASN A 186 22.808 -20.935 -4.651 1.00 0.00 H new ATOM 0 HD22 ASN A 186 23.651 -19.868 -5.778 1.00 0.00 H new ATOM 795 N SER A 187 19.479 -17.515 -7.043 1.00 0.00 N ATOM 796 CA SER A 187 18.084 -17.924 -7.122 1.00 0.00 C ATOM 797 C SER A 187 17.655 -18.184 -8.567 1.00 0.00 C ATOM 798 O SER A 187 16.982 -19.176 -8.838 1.00 0.00 O ATOM 799 CB SER A 187 17.210 -16.837 -6.496 1.00 0.00 C ATOM 800 OG SER A 187 17.603 -16.622 -5.157 1.00 0.00 O ATOM 0 H SER A 187 19.614 -16.521 -6.858 1.00 0.00 H new ATOM 0 HA SER A 187 17.963 -18.859 -6.575 1.00 0.00 H new ATOM 0 HB2 SER A 187 17.301 -15.912 -7.065 1.00 0.00 H new ATOM 0 HB3 SER A 187 16.162 -17.133 -6.534 1.00 0.00 H new ATOM 0 HG SER A 187 18.361 -16.001 -5.134 1.00 0.00 H new ATOM 806 N THR A 188 18.021 -17.285 -9.489 1.00 0.00 N ATOM 807 CA THR A 188 17.585 -17.381 -10.879 1.00 0.00 C ATOM 808 C THR A 188 18.586 -18.149 -11.732 1.00 0.00 C ATOM 809 O THR A 188 18.247 -19.180 -12.311 1.00 0.00 O ATOM 810 CB THR A 188 17.364 -15.968 -11.439 1.00 0.00 C ATOM 811 OG1 THR A 188 16.772 -15.155 -10.448 1.00 0.00 O ATOM 812 CG2 THR A 188 16.440 -16.032 -12.656 1.00 0.00 C ATOM 0 H THR A 188 18.619 -16.483 -9.292 1.00 0.00 H new ATOM 0 HA THR A 188 16.648 -17.937 -10.911 1.00 0.00 H new ATOM 0 HB THR A 188 18.325 -15.546 -11.735 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.467 -14.810 -9.850 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.286 -15.027 -13.049 1.00 0.00 H new ATOM 0 HG22 THR A 188 16.894 -16.657 -13.425 1.00 0.00 H new ATOM 0 HG23 THR A 188 15.480 -16.457 -12.362 1.00 0.00 H new ATOM 820 N MET A 189 19.808 -17.638 -11.831 1.00 0.00 N ATOM 821 CA MET A 189 20.820 -18.223 -12.689 1.00 0.00 C ATOM 822 C MET A 189 21.530 -19.389 -11.998 1.00 0.00 C ATOM 823 O MET A 189 22.750 -19.382 -11.848 1.00 0.00 O ATOM 824 CB MET A 189 21.801 -17.125 -13.090 1.00 0.00 C ATOM 825 CG MET A 189 21.156 -16.208 -14.133 1.00 0.00 C ATOM 826 SD MET A 189 20.936 -16.982 -15.759 1.00 0.00 S ATOM 827 CE MET A 189 19.136 -16.843 -15.902 1.00 0.00 C ATOM 0 H MET A 189 20.119 -16.812 -11.320 1.00 0.00 H new ATOM 0 HA MET A 189 20.352 -18.636 -13.582 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.091 -16.546 -12.213 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.711 -17.568 -13.495 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.184 -15.881 -13.763 1.00 0.00 H new ATOM 0 HG3 MET A 189 21.771 -15.315 -14.247 1.00 0.00 H new ATOM 0 HE1 MET A 189 18.812 -17.272 -16.850 1.00 0.00 H new ATOM 0 HE2 MET A 189 18.663 -17.381 -15.080 1.00 0.00 H new ATOM 0 HE3 MET A 189 18.848 -15.793 -15.861 1.00 0.00 H new