USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 366 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 184 HIS : no HD1:sc= 0.148 K(o=0.32,f=-1.4) USER MOD Set 1.2: A 188 THR OG1 : rot 131:sc= 0.168 USER MOD Set 2.1: A 179 ASN : amide:sc= 1.28 K(o=2.1,f=-1.3) USER MOD Set 2.2: A 182 LYS NZ :NH3+ 178:sc= 0.84 (180deg=-0.0666) USER MOD Set 3.1: A 159 HIS : no HD1:sc= -0.329 K(o=-0.015,f=-3.3) USER MOD Set 3.2: A 164 ASN :FLIP amide:sc= 0.313 F(o=-0.55,f=-0.015) 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 157 GLN : amide:sc= 1.15 K(o=1.1,f=-6.7!) USER MOD Single : A 160 LYS NZ :NH3+ -164:sc= -0.0126 (180deg=-0.189) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 183 ASN : amide:sc= -0.0534 X(o=-0.053,f=0) USER MOD Single : A 186 ASN : amide:sc= -0.0559 K(o=-0.056,f=-1.9) USER MOD Single : A 187 SER OG : rot 81:sc= 0.945 USER MOD Single : A 189 MET CE :methyl -117:sc= -0.479 (180deg=-1.17) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.686 -9.072 -12.268 1.00 0.00 N ATOM 89 CA TRP A 147 14.750 -9.113 -13.254 1.00 0.00 C ATOM 90 C TRP A 147 14.185 -9.547 -14.604 1.00 0.00 C ATOM 91 O TRP A 147 13.186 -10.269 -14.660 1.00 0.00 O ATOM 92 CB TRP A 147 15.830 -10.086 -12.775 1.00 0.00 C ATOM 93 CG TRP A 147 16.604 -9.603 -11.588 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.417 -9.988 -10.314 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.684 -8.627 -11.541 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.285 -9.336 -9.471 1.00 0.00 N ATOM 97 CE2 TRP A 147 18.099 -8.473 -10.180 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.358 -7.850 -12.506 1.00 0.00 C ATOM 99 CZ2 TRP A 147 19.120 -7.596 -9.804 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.389 -6.962 -12.130 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.766 -6.836 -10.786 1.00 0.00 C ATOM 0 HA TRP A 147 15.191 -8.124 -13.374 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.362 -11.039 -12.527 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.523 -10.275 -13.595 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.683 -10.713 -9.995 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.323 -9.471 -8.461 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.082 -7.936 -13.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.408 -7.506 -8.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.891 -6.375 -12.884 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.555 -6.153 -10.508 1.00 0.00 H new ATOM 112 N THR A 148 14.831 -9.098 -15.690 1.00 0.00 N ATOM 113 CA THR A 148 14.413 -9.419 -17.049 1.00 0.00 C ATOM 114 C THR A 148 15.633 -9.843 -17.860 1.00 0.00 C ATOM 115 O THR A 148 16.760 -9.583 -17.456 1.00 0.00 O ATOM 116 CB THR A 148 13.742 -8.193 -17.684 1.00 0.00 C ATOM 117 OG1 THR A 148 14.625 -7.092 -17.638 1.00 0.00 O ATOM 118 CG2 THR A 148 12.457 -7.847 -16.926 1.00 0.00 C ATOM 0 H THR A 148 15.658 -8.502 -15.643 1.00 0.00 H new ATOM 0 HA THR A 148 13.694 -10.238 -17.035 1.00 0.00 H new ATOM 0 HB THR A 148 13.496 -8.421 -18.721 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.196 -6.311 -18.045 1.00 0.00 H new ATOM 0 HG21 THR A 148 11.988 -6.976 -17.384 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.771 -8.693 -16.968 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.696 -7.626 -15.886 1.00 0.00 H new ATOM 126 N GLU A 149 15.401 -10.497 -19.006 1.00 0.00 N ATOM 127 CA GLU A 149 16.478 -10.978 -19.865 1.00 0.00 C ATOM 128 C GLU A 149 17.456 -9.844 -20.189 1.00 0.00 C ATOM 129 O GLU A 149 18.656 -9.989 -19.981 1.00 0.00 O ATOM 130 CB GLU A 149 15.866 -11.564 -21.147 1.00 0.00 C ATOM 131 CG GLU A 149 16.953 -12.237 -22.003 1.00 0.00 C ATOM 132 CD GLU A 149 17.753 -11.214 -22.810 1.00 0.00 C ATOM 133 OE1 GLU A 149 17.104 -10.336 -23.418 1.00 0.00 O ATOM 134 OE2 GLU A 149 18.997 -11.333 -22.804 1.00 0.00 O ATOM 0 H GLU A 149 14.466 -10.704 -19.357 1.00 0.00 H new ATOM 0 HA GLU A 149 17.041 -11.756 -19.349 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.095 -12.291 -20.890 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.381 -10.774 -21.720 1.00 0.00 H new ATOM 0 HG2 GLU A 149 17.628 -12.799 -21.358 1.00 0.00 H new ATOM 0 HG3 GLU A 149 16.490 -12.954 -22.681 1.00 0.00 H new ATOM 141 N GLU A 150 16.936 -8.721 -20.701 1.00 0.00 N ATOM 142 CA GLU A 150 17.762 -7.581 -21.079 1.00 0.00 C ATOM 143 C GLU A 150 18.668 -7.163 -19.918 1.00 0.00 C ATOM 144 O GLU A 150 19.876 -7.004 -20.099 1.00 0.00 O ATOM 145 CB GLU A 150 16.853 -6.426 -21.510 1.00 0.00 C ATOM 146 CG GLU A 150 17.701 -5.262 -22.035 1.00 0.00 C ATOM 147 CD GLU A 150 16.823 -4.180 -22.652 1.00 0.00 C ATOM 148 OE1 GLU A 150 15.737 -3.935 -22.083 1.00 0.00 O ATOM 149 OE2 GLU A 150 17.254 -3.619 -23.682 1.00 0.00 O ATOM 0 H GLU A 150 15.938 -8.583 -20.862 1.00 0.00 H new ATOM 0 HA GLU A 150 18.406 -7.859 -21.913 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.164 -6.764 -22.284 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.247 -6.094 -20.667 1.00 0.00 H new ATOM 0 HG2 GLU A 150 18.287 -4.838 -21.220 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.408 -5.629 -22.779 1.00 0.00 H new ATOM 156 N GLU A 151 18.084 -6.983 -18.728 1.00 0.00 N ATOM 157 CA GLU A 151 18.836 -6.578 -17.551 1.00 0.00 C ATOM 158 C GLU A 151 19.895 -7.636 -17.216 1.00 0.00 C ATOM 159 O GLU A 151 21.062 -7.307 -17.016 1.00 0.00 O ATOM 160 CB GLU A 151 17.863 -6.384 -16.380 1.00 0.00 C ATOM 161 CG GLU A 151 18.533 -5.578 -15.262 1.00 0.00 C ATOM 162 CD GLU A 151 18.347 -4.082 -15.470 1.00 0.00 C ATOM 163 OE1 GLU A 151 17.291 -3.578 -15.020 1.00 0.00 O ATOM 164 OE2 GLU A 151 19.257 -3.471 -16.066 1.00 0.00 O ATOM 0 H GLU A 151 17.086 -7.114 -18.562 1.00 0.00 H new ATOM 0 HA GLU A 151 19.351 -5.637 -17.743 1.00 0.00 H new ATOM 0 HB2 GLU A 151 16.967 -5.867 -16.724 1.00 0.00 H new ATOM 0 HB3 GLU A 151 17.544 -7.354 -15.998 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.112 -5.868 -14.299 1.00 0.00 H new ATOM 0 HG3 GLU A 151 19.597 -5.813 -15.229 1.00 0.00 H new ATOM 171 N ASP A 152 19.478 -8.906 -17.158 1.00 0.00 N ATOM 172 CA ASP A 152 20.369 -10.015 -16.836 1.00 0.00 C ATOM 173 C ASP A 152 21.532 -10.073 -17.826 1.00 0.00 C ATOM 174 O ASP A 152 22.639 -10.457 -17.455 1.00 0.00 O ATOM 175 CB ASP A 152 19.576 -11.328 -16.857 1.00 0.00 C ATOM 176 CG ASP A 152 18.507 -11.355 -15.766 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.591 -10.497 -14.860 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.623 -12.236 -15.860 1.00 0.00 O ATOM 0 H ASP A 152 18.514 -9.189 -17.334 1.00 0.00 H new ATOM 0 HA ASP A 152 20.784 -9.864 -15.839 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.105 -11.454 -17.832 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.257 -12.168 -16.721 1.00 0.00 H new ATOM 183 N ARG A 153 21.283 -9.687 -19.083 1.00 0.00 N ATOM 184 CA ARG A 153 22.314 -9.678 -20.111 1.00 0.00 C ATOM 185 C ARG A 153 23.488 -8.800 -19.654 1.00 0.00 C ATOM 186 O ARG A 153 24.649 -9.130 -19.901 1.00 0.00 O ATOM 187 CB ARG A 153 21.709 -9.156 -21.427 1.00 0.00 C ATOM 188 CG ARG A 153 22.128 -10.048 -22.607 1.00 0.00 C ATOM 189 CD ARG A 153 23.627 -9.904 -22.892 1.00 0.00 C ATOM 190 NE ARG A 153 23.980 -8.506 -23.170 1.00 0.00 N ATOM 191 CZ ARG A 153 25.244 -8.089 -23.349 1.00 0.00 C ATOM 192 NH1 ARG A 153 26.251 -8.971 -23.356 1.00 0.00 N ATOM 193 NH2 ARG A 153 25.500 -6.788 -23.521 1.00 0.00 N ATOM 0 H ARG A 153 20.368 -9.376 -19.408 1.00 0.00 H new ATOM 0 HA ARG A 153 22.690 -10.688 -20.277 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.622 -9.133 -21.350 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.038 -8.132 -21.604 1.00 0.00 H new ATOM 0 HG2 ARG A 153 21.894 -11.089 -22.383 1.00 0.00 H new ATOM 0 HG3 ARG A 153 21.557 -9.777 -23.495 1.00 0.00 H new ATOM 0 HD2 ARG A 153 24.199 -10.264 -22.037 1.00 0.00 H new ATOM 0 HD3 ARG A 153 23.900 -10.528 -23.743 1.00 0.00 H new ATOM 0 HE ARG A 153 23.229 -7.818 -23.230 1.00 0.00 H new ATOM 0 HH11 ARG A 153 26.060 -9.964 -23.225 1.00 0.00 H new ATOM 0 HH12 ARG A 153 27.209 -8.650 -23.492 1.00 0.00 H new ATOM 0 HH21 ARG A 153 24.735 -6.113 -23.516 1.00 0.00 H new ATOM 0 HH22 ARG A 153 26.460 -6.471 -23.657 1.00 0.00 H new ATOM 207 N ILE A 154 23.182 -7.682 -18.980 1.00 0.00 N ATOM 208 CA ILE A 154 24.208 -6.776 -18.481 1.00 0.00 C ATOM 209 C ILE A 154 24.998 -7.463 -17.366 1.00 0.00 C ATOM 210 O ILE A 154 26.226 -7.374 -17.332 1.00 0.00 O ATOM 211 CB ILE A 154 23.558 -5.479 -17.964 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.635 -4.859 -19.035 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.651 -4.476 -17.573 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.364 -4.710 -20.377 1.00 0.00 C ATOM 0 H ILE A 154 22.227 -7.389 -18.771 1.00 0.00 H new ATOM 0 HA ILE A 154 24.891 -6.519 -19.290 1.00 0.00 H new ATOM 0 HB ILE A 154 22.953 -5.720 -17.090 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.753 -5.485 -19.165 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.286 -3.883 -18.697 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.189 -3.559 -17.207 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.275 -4.905 -16.789 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.266 -4.250 -18.444 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.689 -4.271 -21.111 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.232 -4.063 -20.250 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.690 -5.690 -20.725 1.00 0.00 H new ATOM 226 N ILE A 155 24.291 -8.151 -16.456 1.00 0.00 N ATOM 227 CA ILE A 155 24.933 -8.848 -15.346 1.00 0.00 C ATOM 228 C ILE A 155 25.893 -9.897 -15.900 1.00 0.00 C ATOM 229 O ILE A 155 27.029 -9.986 -15.461 1.00 0.00 O ATOM 230 CB ILE A 155 23.884 -9.525 -14.440 1.00 0.00 C ATOM 231 CG1 ILE A 155 22.755 -8.547 -14.085 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.567 -10.002 -13.150 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.703 -9.263 -13.235 1.00 0.00 C ATOM 0 H ILE A 155 23.275 -8.236 -16.473 1.00 0.00 H new ATOM 0 HA ILE A 155 25.482 -8.122 -14.746 1.00 0.00 H new ATOM 0 HB ILE A 155 23.453 -10.371 -14.975 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.158 -7.693 -13.540 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.298 -8.158 -14.995 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.831 -10.482 -12.505 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.353 -10.716 -13.397 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.002 -9.148 -12.631 1.00 0.00 H new ATOM 0 HD11 ILE A 155 20.903 -8.567 -12.984 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.292 -10.102 -13.796 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.164 -9.631 -12.319 1.00 0.00 H new ATOM 245 N TYR A 156 25.418 -10.688 -16.868 1.00 0.00 N ATOM 246 CA TYR A 156 26.213 -11.740 -17.485 1.00 0.00 C ATOM 247 C TYR A 156 27.509 -11.166 -18.054 1.00 0.00 C ATOM 248 O TYR A 156 28.590 -11.693 -17.791 1.00 0.00 O ATOM 249 CB TYR A 156 25.378 -12.400 -18.587 1.00 0.00 C ATOM 250 CG TYR A 156 26.078 -13.557 -19.267 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.923 -13.322 -20.366 1.00 0.00 C ATOM 252 CD2 TYR A 156 25.876 -14.870 -18.805 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.567 -14.396 -21.000 1.00 0.00 C ATOM 254 CE2 TYR A 156 26.519 -15.945 -19.443 1.00 0.00 C ATOM 255 CZ TYR A 156 27.366 -15.708 -20.539 1.00 0.00 C ATOM 256 OH TYR A 156 27.994 -16.749 -21.157 1.00 0.00 O ATOM 0 H TYR A 156 24.472 -10.612 -17.241 1.00 0.00 H new ATOM 0 HA TYR A 156 26.484 -12.486 -16.738 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.441 -12.755 -18.158 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.122 -11.650 -19.336 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.077 -12.314 -20.723 1.00 0.00 H new ATOM 0 HD2 TYR A 156 25.227 -15.052 -17.961 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.217 -14.214 -21.843 1.00 0.00 H new ATOM 0 HE2 TYR A 156 26.362 -16.954 -19.091 1.00 0.00 H new ATOM 0 HH TYR A 156 27.749 -17.588 -20.714 1.00 0.00 H new ATOM 266 N GLN A 157 27.398 -10.090 -18.836 1.00 0.00 N ATOM 267 CA GLN A 157 28.552 -9.462 -19.458 1.00 0.00 C ATOM 268 C GLN A 157 29.539 -8.978 -18.393 1.00 0.00 C ATOM 269 O GLN A 157 30.726 -9.298 -18.453 1.00 0.00 O ATOM 270 CB GLN A 157 28.070 -8.296 -20.326 1.00 0.00 C ATOM 271 CG GLN A 157 29.213 -7.797 -21.213 1.00 0.00 C ATOM 272 CD GLN A 157 28.723 -6.707 -22.158 1.00 0.00 C ATOM 273 OE1 GLN A 157 28.278 -6.998 -23.267 1.00 0.00 O ATOM 274 NE2 GLN A 157 28.800 -5.451 -21.719 1.00 0.00 N ATOM 0 H GLN A 157 26.510 -9.637 -19.051 1.00 0.00 H new ATOM 0 HA GLN A 157 29.073 -10.187 -20.083 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.231 -8.615 -20.945 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.709 -7.485 -19.693 1.00 0.00 H new ATOM 0 HG2 GLN A 157 30.021 -7.411 -20.591 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.623 -8.627 -21.788 1.00 0.00 H new ATOM 0 HE21 GLN A 157 29.177 -5.257 -20.791 1.00 0.00 H new ATOM 0 HE22 GLN A 157 28.482 -4.683 -22.311 1.00 0.00 H new ATOM 283 N ALA A 158 29.045 -8.202 -17.424 1.00 0.00 N ATOM 284 CA ALA A 158 29.884 -7.645 -16.373 1.00 0.00 C ATOM 285 C ALA A 158 30.505 -8.760 -15.521 1.00 0.00 C ATOM 286 O ALA A 158 31.647 -8.638 -15.079 1.00 0.00 O ATOM 287 CB ALA A 158 29.041 -6.706 -15.513 1.00 0.00 C ATOM 0 H ALA A 158 28.060 -7.947 -17.351 1.00 0.00 H new ATOM 0 HA ALA A 158 30.704 -7.085 -16.822 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.660 -6.283 -14.722 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.645 -5.902 -16.133 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.215 -7.262 -15.069 1.00 0.00 H new ATOM 293 N HIS A 159 29.757 -9.845 -15.292 1.00 0.00 N ATOM 294 CA HIS A 159 30.244 -10.963 -14.499 1.00 0.00 C ATOM 295 C HIS A 159 31.353 -11.687 -15.254 1.00 0.00 C ATOM 296 O HIS A 159 32.349 -12.079 -14.663 1.00 0.00 O ATOM 297 CB HIS A 159 29.091 -11.920 -14.182 1.00 0.00 C ATOM 298 CG HIS A 159 29.492 -13.001 -13.211 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.357 -14.035 -13.546 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.166 -13.228 -11.901 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.491 -14.801 -12.443 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.788 -14.363 -11.403 1.00 0.00 N ATOM 0 H HIS A 159 28.809 -9.966 -15.649 1.00 0.00 H new ATOM 0 HA HIS A 159 30.650 -10.589 -13.559 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.256 -11.354 -13.768 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.738 -12.378 -15.106 1.00 0.00 H new ATOM 0 HD2 HIS A 159 28.504 -12.599 -11.325 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.110 -15.685 -12.408 1.00 0.00 H new ATOM 0 HE2 HIS A 159 29.722 -14.764 -10.467 1.00 0.00 H new ATOM 310 N LYS A 160 31.185 -11.868 -16.563 1.00 0.00 N ATOM 311 CA LYS A 160 32.193 -12.534 -17.367 1.00 0.00 C ATOM 312 C LYS A 160 33.471 -11.694 -17.387 1.00 0.00 C ATOM 313 O LYS A 160 34.570 -12.236 -17.470 1.00 0.00 O ATOM 314 CB LYS A 160 31.651 -12.758 -18.783 1.00 0.00 C ATOM 315 CG LYS A 160 32.593 -13.689 -19.560 1.00 0.00 C ATOM 316 CD LYS A 160 31.946 -14.106 -20.891 1.00 0.00 C ATOM 317 CE LYS A 160 30.917 -15.225 -20.664 1.00 0.00 C ATOM 318 NZ LYS A 160 31.572 -16.507 -20.342 1.00 0.00 N ATOM 0 H LYS A 160 30.362 -11.562 -17.082 1.00 0.00 H new ATOM 0 HA LYS A 160 32.433 -13.506 -16.935 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.653 -13.193 -18.735 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.558 -11.804 -19.302 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.540 -13.184 -19.750 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.817 -14.573 -18.963 1.00 0.00 H new ATOM 0 HD2 LYS A 160 31.460 -13.245 -21.351 1.00 0.00 H new ATOM 0 HD3 LYS A 160 32.715 -14.447 -21.585 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.246 -14.944 -19.852 1.00 0.00 H new ATOM 0 HE3 LYS A 160 30.304 -15.343 -21.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 30.891 -17.284 -20.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 32.380 -16.654 -20.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 31.907 -16.488 -19.358 1.00 0.00 H new ATOM 332 N ARG A 161 33.316 -10.368 -17.306 1.00 0.00 N ATOM 333 CA ARG A 161 34.441 -9.451 -17.307 1.00 0.00 C ATOM 334 C ARG A 161 35.192 -9.520 -15.971 1.00 0.00 C ATOM 335 O ARG A 161 36.416 -9.635 -15.962 1.00 0.00 O ATOM 336 CB ARG A 161 33.915 -8.031 -17.565 1.00 0.00 C ATOM 337 CG ARG A 161 35.065 -7.015 -17.518 1.00 0.00 C ATOM 338 CD ARG A 161 34.494 -5.594 -17.544 1.00 0.00 C ATOM 339 NE ARG A 161 35.408 -4.654 -16.871 1.00 0.00 N ATOM 340 CZ ARG A 161 35.017 -3.787 -15.911 1.00 0.00 C ATOM 341 NH1 ARG A 161 33.720 -3.527 -15.706 1.00 0.00 N ATOM 342 NH2 ARG A 161 35.932 -3.179 -15.150 1.00 0.00 N ATOM 0 H ARG A 161 32.407 -9.910 -17.238 1.00 0.00 H new ATOM 0 HA ARG A 161 35.143 -9.728 -18.094 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.425 -7.990 -18.538 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.164 -7.774 -16.818 1.00 0.00 H new ATOM 0 HG2 ARG A 161 35.658 -7.163 -16.616 1.00 0.00 H new ATOM 0 HG3 ARG A 161 35.732 -7.166 -18.367 1.00 0.00 H new ATOM 0 HD2 ARG A 161 34.335 -5.279 -18.575 1.00 0.00 H new ATOM 0 HD3 ARG A 161 33.521 -5.578 -17.052 1.00 0.00 H new ATOM 0 HE ARG A 161 36.390 -4.658 -17.145 1.00 0.00 H new ATOM 0 HH11 ARG A 161 33.011 -3.986 -16.278 1.00 0.00 H new ATOM 0 HH12 ARG A 161 33.440 -2.870 -14.977 1.00 0.00 H new ATOM 0 HH21 ARG A 161 36.924 -3.370 -15.294 1.00 0.00 H new ATOM 0 HH22 ARG A 161 35.639 -2.524 -14.425 1.00 0.00 H new ATOM 356 N LEU A 162 34.462 -9.425 -14.844 1.00 0.00 N ATOM 357 CA LEU A 162 35.083 -9.386 -13.518 1.00 0.00 C ATOM 358 C LEU A 162 34.824 -10.670 -12.725 1.00 0.00 C ATOM 359 O LEU A 162 35.772 -11.326 -12.292 1.00 0.00 O ATOM 360 CB LEU A 162 34.535 -8.181 -12.743 1.00 0.00 C ATOM 361 CG LEU A 162 34.803 -6.874 -13.503 1.00 0.00 C ATOM 362 CD1 LEU A 162 34.119 -5.722 -12.767 1.00 0.00 C ATOM 363 CD2 LEU A 162 36.310 -6.605 -13.577 1.00 0.00 C ATOM 0 H LEU A 162 33.443 -9.374 -14.831 1.00 0.00 H new ATOM 0 HA LEU A 162 36.161 -9.296 -13.652 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.463 -8.302 -12.585 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.999 -8.135 -11.758 1.00 0.00 H new ATOM 0 HG LEU A 162 34.409 -6.959 -14.516 1.00 0.00 H new ATOM 0 HD11 LEU A 162 34.304 -4.789 -13.300 1.00 0.00 H new ATOM 0 HD12 LEU A 162 33.046 -5.906 -12.720 1.00 0.00 H new ATOM 0 HD13 LEU A 162 34.519 -5.648 -11.756 1.00 0.00 H new ATOM 0 HD21 LEU A 162 36.488 -5.676 -14.118 1.00 0.00 H new ATOM 0 HD22 LEU A 162 36.714 -6.521 -12.568 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.801 -7.427 -14.097 1.00 0.00 H new ATOM 375 N GLY A 163 33.546 -11.011 -12.514 1.00 0.00 N ATOM 376 CA GLY A 163 33.161 -12.173 -11.717 1.00 0.00 C ATOM 377 C GLY A 163 32.112 -11.760 -10.689 1.00 0.00 C ATOM 378 O GLY A 163 31.093 -11.182 -11.047 1.00 0.00 O ATOM 0 H GLY A 163 32.756 -10.488 -12.891 1.00 0.00 H new ATOM 0 HA2 GLY A 163 32.764 -12.955 -12.364 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.035 -12.588 -11.214 1.00 0.00 H new ATOM 382 N ASN A 164 32.367 -12.050 -9.403 1.00 0.00 N ATOM 383 CA ASN A 164 31.439 -11.697 -8.328 1.00 0.00 C ATOM 384 C ASN A 164 31.789 -10.317 -7.762 1.00 0.00 C ATOM 385 O ASN A 164 31.633 -10.080 -6.566 1.00 0.00 O ATOM 386 CB ASN A 164 31.502 -12.759 -7.220 1.00 0.00 C ATOM 387 CG ASN A 164 31.305 -14.167 -7.777 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.193 -14.390 -8.475 1.00 0.00 O flip ATOM 389 ND2 ASN A 164 32.147 -15.041 -7.578 1.00 0.00 N flip ATOM 0 H ASN A 164 33.210 -12.529 -9.087 1.00 0.00 H new ATOM 0 HA ASN A 164 30.425 -11.661 -8.727 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.465 -12.699 -6.713 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.735 -12.552 -6.473 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.985 -14.828 -7.038 1.00 0.00 H new ATOM 0 HD22 ASN A 164 32.007 -15.979 -7.953 1.00 0.00 H new ATOM 396 N ARG A 165 32.262 -9.407 -8.623 1.00 0.00 N ATOM 397 CA ARG A 165 32.639 -8.062 -8.206 1.00 0.00 C ATOM 398 C ARG A 165 31.395 -7.178 -8.229 1.00 0.00 C ATOM 399 O ARG A 165 31.334 -6.195 -8.972 1.00 0.00 O ATOM 400 CB ARG A 165 33.722 -7.511 -9.149 1.00 0.00 C ATOM 401 CG ARG A 165 35.075 -8.200 -8.891 1.00 0.00 C ATOM 402 CD ARG A 165 35.017 -9.679 -9.305 1.00 0.00 C ATOM 403 NE ARG A 165 36.325 -10.161 -9.773 1.00 0.00 N ATOM 404 CZ ARG A 165 37.391 -10.320 -8.970 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.290 -10.085 -7.654 1.00 0.00 N ATOM 406 NH2 ARG A 165 38.560 -10.716 -9.489 1.00 0.00 N ATOM 0 H ARG A 165 32.391 -9.586 -9.619 1.00 0.00 H new ATOM 0 HA ARG A 165 33.047 -8.078 -7.196 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.422 -7.666 -10.185 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.823 -6.435 -9.004 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.861 -7.691 -9.449 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.333 -8.122 -7.835 1.00 0.00 H new ATOM 0 HD2 ARG A 165 34.688 -10.282 -8.459 1.00 0.00 H new ATOM 0 HD3 ARG A 165 34.277 -9.808 -10.095 1.00 0.00 H new ATOM 0 HE ARG A 165 36.429 -10.387 -10.762 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.400 -9.784 -7.257 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.103 -10.208 -7.050 1.00 0.00 H new ATOM 0 HH21 ARG A 165 38.639 -10.896 -10.490 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.372 -10.838 -8.883 1.00 0.00 H new ATOM 420 N TRP A 166 30.394 -7.541 -7.418 1.00 0.00 N ATOM 421 CA TRP A 166 29.129 -6.822 -7.371 1.00 0.00 C ATOM 422 C TRP A 166 29.352 -5.350 -7.049 1.00 0.00 C ATOM 423 O TRP A 166 28.582 -4.511 -7.480 1.00 0.00 O ATOM 424 CB TRP A 166 28.212 -7.454 -6.334 1.00 0.00 C ATOM 425 CG TRP A 166 28.228 -8.943 -6.306 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.591 -9.672 -5.256 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.883 -9.906 -7.348 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.510 -11.014 -5.526 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.070 -11.223 -6.818 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.432 -9.815 -8.685 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.822 -12.375 -7.565 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.183 -10.980 -9.445 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.381 -12.255 -8.885 1.00 0.00 C ATOM 0 H TRP A 166 30.444 -8.337 -6.782 1.00 0.00 H new ATOM 0 HA TRP A 166 28.658 -6.887 -8.352 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.493 -7.084 -5.348 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.192 -7.120 -6.521 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.909 -9.260 -4.310 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.742 -11.755 -4.864 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.276 -8.844 -9.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.970 -13.351 -7.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.838 -10.891 -10.464 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.192 -13.140 -9.475 1.00 0.00 H new ATOM 444 N ALA A 167 30.404 -5.033 -6.292 1.00 0.00 N ATOM 445 CA ALA A 167 30.698 -3.656 -5.934 1.00 0.00 C ATOM 446 C ALA A 167 30.761 -2.779 -7.193 1.00 0.00 C ATOM 447 O ALA A 167 30.361 -1.618 -7.151 1.00 0.00 O ATOM 448 CB ALA A 167 32.023 -3.604 -5.173 1.00 0.00 C ATOM 0 H ALA A 167 31.063 -5.716 -5.918 1.00 0.00 H new ATOM 0 HA ALA A 167 29.904 -3.270 -5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 167 32.247 -2.572 -4.903 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.947 -4.208 -4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.821 -3.995 -5.804 1.00 0.00 H new ATOM 454 N GLU A 168 31.261 -3.339 -8.312 1.00 0.00 N ATOM 455 CA GLU A 168 31.366 -2.603 -9.567 1.00 0.00 C ATOM 456 C GLU A 168 30.170 -2.922 -10.470 1.00 0.00 C ATOM 457 O GLU A 168 29.569 -2.016 -11.039 1.00 0.00 O ATOM 458 CB GLU A 168 32.682 -2.958 -10.267 1.00 0.00 C ATOM 459 CG GLU A 168 32.964 -1.929 -11.370 1.00 0.00 C ATOM 460 CD GLU A 168 34.178 -2.321 -12.202 1.00 0.00 C ATOM 461 OE1 GLU A 168 35.153 -2.810 -11.596 1.00 0.00 O ATOM 462 OE2 GLU A 168 34.107 -2.124 -13.436 1.00 0.00 O ATOM 0 H GLU A 168 31.596 -4.301 -8.362 1.00 0.00 H new ATOM 0 HA GLU A 168 31.359 -1.534 -9.357 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.499 -2.968 -9.546 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.621 -3.959 -10.694 1.00 0.00 H new ATOM 0 HG2 GLU A 168 32.092 -1.840 -12.017 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.130 -0.950 -10.921 1.00 0.00 H new ATOM 469 N ILE A 169 29.824 -4.212 -10.603 1.00 0.00 N ATOM 470 CA ILE A 169 28.704 -4.627 -11.449 1.00 0.00 C ATOM 471 C ILE A 169 27.444 -3.861 -11.039 1.00 0.00 C ATOM 472 O ILE A 169 26.721 -3.347 -11.889 1.00 0.00 O ATOM 473 CB ILE A 169 28.480 -6.144 -11.314 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.717 -6.912 -11.803 1.00 0.00 C ATOM 475 CG2 ILE A 169 27.259 -6.559 -12.144 1.00 0.00 C ATOM 476 CD1 ILE A 169 29.774 -8.288 -11.135 1.00 0.00 C ATOM 0 H ILE A 169 30.305 -4.981 -10.135 1.00 0.00 H new ATOM 0 HA ILE A 169 28.931 -4.402 -12.491 1.00 0.00 H new ATOM 0 HB ILE A 169 28.309 -6.382 -10.264 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.681 -7.025 -12.886 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.621 -6.348 -11.572 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.102 -7.633 -12.048 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.377 -6.029 -11.784 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.429 -6.310 -13.191 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.654 -8.827 -11.487 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.832 -8.165 -10.053 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.877 -8.853 -11.389 1.00 0.00 H new ATOM 488 N ALA A 170 27.194 -3.793 -9.727 1.00 0.00 N ATOM 489 CA ALA A 170 26.035 -3.109 -9.177 1.00 0.00 C ATOM 490 C ALA A 170 26.057 -1.624 -9.552 1.00 0.00 C ATOM 491 O ALA A 170 25.010 -1.041 -9.820 1.00 0.00 O ATOM 492 CB ALA A 170 26.020 -3.298 -7.654 1.00 0.00 C ATOM 0 H ALA A 170 27.796 -4.215 -9.020 1.00 0.00 H new ATOM 0 HA ALA A 170 25.124 -3.536 -9.596 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.154 -2.788 -7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.965 -4.361 -7.420 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.931 -2.879 -7.226 1.00 0.00 H new ATOM 498 N LYS A 171 27.250 -1.012 -9.581 1.00 0.00 N ATOM 499 CA LYS A 171 27.381 0.393 -9.950 1.00 0.00 C ATOM 500 C LYS A 171 27.079 0.561 -11.441 1.00 0.00 C ATOM 501 O LYS A 171 26.555 1.593 -11.854 1.00 0.00 O ATOM 502 CB LYS A 171 28.794 0.892 -9.622 1.00 0.00 C ATOM 503 CG LYS A 171 28.990 0.974 -8.103 1.00 0.00 C ATOM 504 CD LYS A 171 28.395 2.281 -7.567 1.00 0.00 C ATOM 505 CE LYS A 171 28.633 2.371 -6.057 1.00 0.00 C ATOM 506 NZ LYS A 171 28.088 3.626 -5.509 1.00 0.00 N ATOM 0 H LYS A 171 28.132 -1.472 -9.353 1.00 0.00 H new ATOM 0 HA LYS A 171 26.668 0.987 -9.379 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.534 0.219 -10.055 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.954 1.873 -10.070 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.512 0.122 -7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 171 30.052 0.922 -7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 171 28.852 3.134 -8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 171 27.327 2.321 -7.780 1.00 0.00 H new ATOM 0 HE2 LYS A 171 28.166 1.520 -5.561 1.00 0.00 H new ATOM 0 HE3 LYS A 171 29.702 2.314 -5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 28.262 3.662 -4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 28.552 4.436 -5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 27.064 3.667 -5.688 1.00 0.00 H new ATOM 520 N LEU A 172 27.405 -0.463 -12.247 1.00 0.00 N ATOM 521 CA LEU A 172 27.151 -0.439 -13.684 1.00 0.00 C ATOM 522 C LEU A 172 25.735 -0.958 -13.980 1.00 0.00 C ATOM 523 O LEU A 172 25.472 -1.445 -15.079 1.00 0.00 O ATOM 524 CB LEU A 172 28.203 -1.302 -14.400 1.00 0.00 C ATOM 525 CG LEU A 172 29.613 -0.720 -14.195 1.00 0.00 C ATOM 526 CD1 LEU A 172 30.653 -1.754 -14.632 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.785 0.553 -15.031 1.00 0.00 C ATOM 0 H LEU A 172 27.848 -1.321 -11.918 1.00 0.00 H new ATOM 0 HA LEU A 172 27.222 0.586 -14.049 1.00 0.00 H new ATOM 0 HB2 LEU A 172 28.166 -2.322 -14.017 1.00 0.00 H new ATOM 0 HB3 LEU A 172 27.976 -1.352 -15.465 1.00 0.00 H new ATOM 0 HG LEU A 172 29.749 -0.476 -13.141 1.00 0.00 H new ATOM 0 HD11 LEU A 172 31.654 -1.346 -14.489 1.00 0.00 H new ATOM 0 HD12 LEU A 172 30.540 -2.658 -14.034 1.00 0.00 H new ATOM 0 HD13 LEU A 172 30.507 -1.995 -15.685 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.786 0.956 -14.878 1.00 0.00 H new ATOM 0 HD22 LEU A 172 29.646 0.317 -16.086 1.00 0.00 H new ATOM 0 HD23 LEU A 172 29.045 1.293 -14.724 1.00 0.00 H new ATOM 539 N LEU A 173 24.829 -0.848 -12.996 1.00 0.00 N ATOM 540 CA LEU A 173 23.446 -1.288 -13.137 1.00 0.00 C ATOM 541 C LEU A 173 22.530 -0.220 -12.527 1.00 0.00 C ATOM 542 O LEU A 173 23.014 0.646 -11.797 1.00 0.00 O ATOM 543 CB LEU A 173 23.275 -2.632 -12.404 1.00 0.00 C ATOM 544 CG LEU A 173 23.741 -3.799 -13.289 1.00 0.00 C ATOM 545 CD1 LEU A 173 23.908 -5.048 -12.425 1.00 0.00 C ATOM 546 CD2 LEU A 173 22.706 -4.084 -14.384 1.00 0.00 C ATOM 0 H LEU A 173 25.042 -0.450 -12.081 1.00 0.00 H new ATOM 0 HA LEU A 173 23.186 -1.424 -14.187 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.848 -2.621 -11.477 1.00 0.00 H new ATOM 0 HB3 LEU A 173 22.229 -2.772 -12.131 1.00 0.00 H new ATOM 0 HG LEU A 173 24.689 -3.533 -13.755 1.00 0.00 H new ATOM 0 HD11 LEU A 173 24.239 -5.879 -13.047 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.650 -4.858 -11.650 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.954 -5.299 -11.960 1.00 0.00 H new ATOM 0 HD21 LEU A 173 23.050 -4.913 -15.003 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.753 -4.345 -13.925 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.579 -3.197 -15.004 1.00 0.00 H new ATOM 558 N PRO A 174 21.204 -0.270 -12.817 1.00 0.00 N ATOM 559 CA PRO A 174 20.239 0.662 -12.250 1.00 0.00 C ATOM 560 C PRO A 174 20.167 0.509 -10.717 1.00 0.00 C ATOM 561 O PRO A 174 21.129 0.080 -10.089 1.00 0.00 O ATOM 562 CB PRO A 174 18.898 0.328 -12.928 1.00 0.00 C ATOM 563 CG PRO A 174 19.184 -0.757 -13.969 1.00 0.00 C ATOM 564 CD PRO A 174 20.610 -1.238 -13.721 1.00 0.00 C ATOM 0 HA PRO A 174 20.516 1.701 -12.428 1.00 0.00 H new ATOM 0 HB2 PRO A 174 18.171 -0.022 -12.195 1.00 0.00 H new ATOM 0 HB3 PRO A 174 18.473 1.214 -13.400 1.00 0.00 H new ATOM 0 HG2 PRO A 174 18.476 -1.580 -13.874 1.00 0.00 H new ATOM 0 HG3 PRO A 174 19.079 -0.361 -14.979 1.00 0.00 H new ATOM 0 HD2 PRO A 174 20.615 -2.236 -13.283 1.00 0.00 H new ATOM 0 HD3 PRO A 174 21.170 -1.297 -14.654 1.00 0.00 H new ATOM 572 N GLY A 175 19.020 0.866 -10.117 1.00 0.00 N ATOM 573 CA GLY A 175 18.836 0.775 -8.672 1.00 0.00 C ATOM 574 C GLY A 175 18.775 -0.687 -8.216 1.00 0.00 C ATOM 575 O GLY A 175 17.709 -1.177 -7.849 1.00 0.00 O ATOM 0 H GLY A 175 18.206 1.221 -10.619 1.00 0.00 H new ATOM 0 HA2 GLY A 175 19.656 1.284 -8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.917 1.287 -8.386 1.00 0.00 H new ATOM 579 N ARG A 176 19.927 -1.372 -8.239 1.00 0.00 N ATOM 580 CA ARG A 176 20.038 -2.761 -7.818 1.00 0.00 C ATOM 581 C ARG A 176 21.236 -2.883 -6.876 1.00 0.00 C ATOM 582 O ARG A 176 22.378 -2.729 -7.306 1.00 0.00 O ATOM 583 CB ARG A 176 20.233 -3.673 -9.043 1.00 0.00 C ATOM 584 CG ARG A 176 19.136 -3.443 -10.099 1.00 0.00 C ATOM 585 CD ARG A 176 17.764 -3.894 -9.566 1.00 0.00 C ATOM 586 NE ARG A 176 17.130 -4.881 -10.458 1.00 0.00 N ATOM 587 CZ ARG A 176 16.805 -4.626 -11.741 1.00 0.00 C ATOM 588 NH1 ARG A 176 17.140 -3.461 -12.307 1.00 0.00 N ATOM 589 NH2 ARG A 176 16.143 -5.543 -12.455 1.00 0.00 N ATOM 0 H ARG A 176 20.809 -0.968 -8.554 1.00 0.00 H new ATOM 0 HA ARG A 176 19.127 -3.069 -7.306 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.211 -3.485 -9.486 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.222 -4.716 -8.727 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.098 -2.387 -10.367 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.378 -3.994 -11.008 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.884 -4.326 -8.572 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.112 -3.027 -9.460 1.00 0.00 H new ATOM 0 HE ARG A 176 16.926 -5.808 -10.084 1.00 0.00 H new ATOM 0 HH11 ARG A 176 17.645 -2.758 -11.767 1.00 0.00 H new ATOM 0 HH12 ARG A 176 16.890 -3.276 -13.278 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.885 -6.433 -12.028 1.00 0.00 H new ATOM 0 HH22 ARG A 176 15.896 -5.352 -13.426 1.00 0.00 H new ATOM 603 N THR A 177 20.978 -3.151 -5.593 1.00 0.00 N ATOM 604 CA THR A 177 22.038 -3.265 -4.600 1.00 0.00 C ATOM 605 C THR A 177 22.904 -4.496 -4.879 1.00 0.00 C ATOM 606 O THR A 177 22.431 -5.480 -5.451 1.00 0.00 O ATOM 607 CB THR A 177 21.412 -3.350 -3.203 1.00 0.00 C ATOM 608 OG1 THR A 177 20.335 -4.262 -3.223 1.00 0.00 O ATOM 609 CG2 THR A 177 20.899 -1.971 -2.782 1.00 0.00 C ATOM 0 H THR A 177 20.039 -3.293 -5.221 1.00 0.00 H new ATOM 0 HA THR A 177 22.680 -2.386 -4.653 1.00 0.00 H new ATOM 0 HB THR A 177 22.166 -3.689 -2.493 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.936 -4.317 -2.329 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.455 -2.036 -1.789 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.729 -1.264 -2.763 1.00 0.00 H new ATOM 0 HG23 THR A 177 20.148 -1.629 -3.494 1.00 0.00 H new ATOM 617 N ASP A 178 24.178 -4.432 -4.465 1.00 0.00 N ATOM 618 CA ASP A 178 25.124 -5.521 -4.649 1.00 0.00 C ATOM 619 C ASP A 178 24.549 -6.842 -4.127 1.00 0.00 C ATOM 620 O ASP A 178 24.694 -7.878 -4.771 1.00 0.00 O ATOM 621 CB ASP A 178 26.431 -5.168 -3.920 1.00 0.00 C ATOM 622 CG ASP A 178 26.276 -5.241 -2.399 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.272 -4.684 -1.893 1.00 0.00 O ATOM 624 OD2 ASP A 178 27.163 -5.857 -1.771 1.00 0.00 O ATOM 0 H ASP A 178 24.573 -3.619 -3.993 1.00 0.00 H new ATOM 0 HA ASP A 178 25.323 -5.653 -5.713 1.00 0.00 H new ATOM 0 HB2 ASP A 178 27.219 -5.851 -4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.745 -4.164 -4.205 1.00 0.00 H new ATOM 629 N ASN A 179 23.902 -6.801 -2.958 1.00 0.00 N ATOM 630 CA ASN A 179 23.335 -7.989 -2.340 1.00 0.00 C ATOM 631 C ASN A 179 22.179 -8.542 -3.171 1.00 0.00 C ATOM 632 O ASN A 179 22.014 -9.758 -3.257 1.00 0.00 O ATOM 633 CB ASN A 179 22.881 -7.655 -0.920 1.00 0.00 C ATOM 634 CG ASN A 179 24.052 -7.765 0.050 1.00 0.00 C ATOM 635 OD1 ASN A 179 24.237 -8.806 0.681 1.00 0.00 O ATOM 636 ND2 ASN A 179 24.847 -6.702 0.162 1.00 0.00 N ATOM 0 H ASN A 179 23.761 -5.945 -2.421 1.00 0.00 H new ATOM 0 HA ASN A 179 24.100 -8.764 -2.294 1.00 0.00 H new ATOM 0 HB2 ASN A 179 22.469 -6.646 -0.890 1.00 0.00 H new ATOM 0 HB3 ASN A 179 22.084 -8.334 -0.617 1.00 0.00 H new ATOM 0 HD21 ASN A 179 25.649 -6.729 0.791 1.00 0.00 H new ATOM 0 HD22 ASN A 179 24.654 -5.861 -0.382 1.00 0.00 H new ATOM 643 N ALA A 180 21.379 -7.662 -3.785 1.00 0.00 N ATOM 644 CA ALA A 180 20.257 -8.095 -4.607 1.00 0.00 C ATOM 645 C ALA A 180 20.783 -8.863 -5.817 1.00 0.00 C ATOM 646 O ALA A 180 20.278 -9.937 -6.139 1.00 0.00 O ATOM 647 CB ALA A 180 19.432 -6.883 -5.047 1.00 0.00 C ATOM 0 H ALA A 180 21.492 -6.650 -3.725 1.00 0.00 H new ATOM 0 HA ALA A 180 19.610 -8.753 -4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.595 -7.216 -5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 180 19.052 -6.363 -4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 180 20.060 -6.206 -5.626 1.00 0.00 H new ATOM 653 N ILE A 181 21.805 -8.310 -6.482 1.00 0.00 N ATOM 654 CA ILE A 181 22.411 -8.948 -7.643 1.00 0.00 C ATOM 655 C ILE A 181 23.065 -10.261 -7.220 1.00 0.00 C ATOM 656 O ILE A 181 22.888 -11.280 -7.877 1.00 0.00 O ATOM 657 CB ILE A 181 23.447 -8.002 -8.265 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.743 -6.766 -8.833 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.190 -8.722 -9.396 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.687 -5.569 -8.786 1.00 0.00 C ATOM 0 H ILE A 181 22.227 -7.417 -6.229 1.00 0.00 H new ATOM 0 HA ILE A 181 21.645 -9.164 -8.388 1.00 0.00 H new ATOM 0 HB ILE A 181 24.157 -7.697 -7.496 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.430 -6.954 -9.860 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.841 -6.553 -8.259 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.925 -8.048 -9.836 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.697 -9.601 -8.997 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.477 -9.030 -10.161 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.183 -4.692 -9.191 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.978 -5.376 -7.754 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.576 -5.783 -9.380 1.00 0.00 H new ATOM 672 N LYS A 182 23.822 -10.227 -6.117 1.00 0.00 N ATOM 673 CA LYS A 182 24.501 -11.403 -5.594 1.00 0.00 C ATOM 674 C LYS A 182 23.495 -12.537 -5.385 1.00 0.00 C ATOM 675 O LYS A 182 23.702 -13.650 -5.866 1.00 0.00 O ATOM 676 CB LYS A 182 25.191 -11.024 -4.275 1.00 0.00 C ATOM 677 CG LYS A 182 25.710 -12.279 -3.561 1.00 0.00 C ATOM 678 CD LYS A 182 26.764 -11.902 -2.502 1.00 0.00 C ATOM 679 CE LYS A 182 26.263 -10.764 -1.596 1.00 0.00 C ATOM 680 NZ LYS A 182 24.994 -11.114 -0.928 1.00 0.00 N ATOM 0 H LYS A 182 23.977 -9.382 -5.568 1.00 0.00 H new ATOM 0 HA LYS A 182 25.252 -11.752 -6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 182 26.018 -10.343 -4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.490 -10.495 -3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.881 -12.803 -3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.146 -12.964 -4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.001 -12.776 -1.895 1.00 0.00 H new ATOM 0 HD3 LYS A 182 27.686 -11.597 -2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 182 27.019 -10.538 -0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 182 26.124 -9.861 -2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 24.706 -10.336 -0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 24.257 -11.272 -1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 25.124 -11.981 -0.368 1.00 0.00 H new ATOM 694 N ASN A 183 22.407 -12.247 -4.663 1.00 0.00 N ATOM 695 CA ASN A 183 21.379 -13.236 -4.379 1.00 0.00 C ATOM 696 C ASN A 183 20.758 -13.743 -5.679 1.00 0.00 C ATOM 697 O ASN A 183 20.700 -14.950 -5.906 1.00 0.00 O ATOM 698 CB ASN A 183 20.309 -12.608 -3.483 1.00 0.00 C ATOM 699 CG ASN A 183 19.155 -13.579 -3.256 1.00 0.00 C ATOM 700 OD1 ASN A 183 19.215 -14.417 -2.362 1.00 0.00 O ATOM 701 ND2 ASN A 183 18.103 -13.465 -4.068 1.00 0.00 N ATOM 0 H ASN A 183 22.221 -11.326 -4.265 1.00 0.00 H new ATOM 0 HA ASN A 183 21.826 -14.086 -3.863 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.748 -12.328 -2.526 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.935 -11.693 -3.942 1.00 0.00 H new ATOM 0 HD21 ASN A 183 17.304 -14.090 -3.959 1.00 0.00 H new ATOM 0 HD22 ASN A 183 18.097 -12.753 -4.798 1.00 0.00 H new ATOM 708 N HIS A 184 20.288 -12.817 -6.524 1.00 0.00 N ATOM 709 CA HIS A 184 19.650 -13.166 -7.785 1.00 0.00 C ATOM 710 C HIS A 184 20.543 -14.100 -8.598 1.00 0.00 C ATOM 711 O HIS A 184 20.089 -15.147 -9.047 1.00 0.00 O ATOM 712 CB HIS A 184 19.350 -11.888 -8.574 1.00 0.00 C ATOM 713 CG HIS A 184 19.072 -12.160 -10.031 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.273 -13.215 -10.463 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.486 -11.540 -11.180 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.257 -13.163 -11.809 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.981 -12.162 -12.309 1.00 0.00 N ATOM 0 H HIS A 184 20.342 -11.814 -6.349 1.00 0.00 H new ATOM 0 HA HIS A 184 18.715 -13.688 -7.580 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.490 -11.385 -8.131 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.196 -11.206 -8.490 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.128 -10.672 -11.202 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.711 -13.864 -12.423 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.128 -11.914 -13.287 1.00 0.00 H new ATOM 725 N TRP A 185 21.805 -13.717 -8.794 1.00 0.00 N ATOM 726 CA TRP A 185 22.734 -14.513 -9.572 1.00 0.00 C ATOM 727 C TRP A 185 22.884 -15.899 -8.955 1.00 0.00 C ATOM 728 O TRP A 185 22.634 -16.895 -9.616 1.00 0.00 O ATOM 729 CB TRP A 185 24.090 -13.807 -9.643 1.00 0.00 C ATOM 730 CG TRP A 185 25.111 -14.528 -10.469 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.911 -15.517 -10.038 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.451 -14.346 -11.876 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.719 -15.975 -11.049 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.478 -15.282 -12.219 1.00 0.00 C ATOM 735 CE3 TRP A 185 24.999 -13.491 -12.904 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.021 -15.361 -13.505 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.543 -13.568 -14.203 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.552 -14.501 -14.502 1.00 0.00 C ATOM 0 H TRP A 185 22.202 -12.855 -8.420 1.00 0.00 H new ATOM 0 HA TRP A 185 22.345 -14.627 -10.584 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.946 -12.807 -10.053 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.477 -13.684 -8.632 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.918 -15.901 -9.029 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.404 -16.725 -10.950 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.226 -12.767 -12.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.796 -16.080 -13.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.182 -12.905 -14.975 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.963 -14.553 -15.499 1.00 0.00 H new ATOM 749 N ASN A 186 23.299 -15.958 -7.689 1.00 0.00 N ATOM 750 CA ASN A 186 23.530 -17.227 -7.007 1.00 0.00 C ATOM 751 C ASN A 186 22.297 -18.133 -7.079 1.00 0.00 C ATOM 752 O ASN A 186 22.436 -19.350 -7.161 1.00 0.00 O ATOM 753 CB ASN A 186 23.905 -16.958 -5.543 1.00 0.00 C ATOM 754 CG ASN A 186 25.245 -16.232 -5.422 1.00 0.00 C ATOM 755 OD1 ASN A 186 25.909 -15.961 -6.419 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.643 -15.917 -4.188 1.00 0.00 N ATOM 0 H ASN A 186 23.482 -15.135 -7.114 1.00 0.00 H new ATOM 0 HA ASN A 186 24.349 -17.744 -7.507 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.124 -16.360 -5.072 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.954 -17.903 -5.001 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.529 -15.433 -4.046 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.061 -16.161 -3.387 1.00 0.00 H new ATOM 763 N SER A 187 21.097 -17.546 -7.038 1.00 0.00 N ATOM 764 CA SER A 187 19.863 -18.318 -7.054 1.00 0.00 C ATOM 765 C SER A 187 19.498 -18.759 -8.477 1.00 0.00 C ATOM 766 O SER A 187 19.397 -19.954 -8.748 1.00 0.00 O ATOM 767 CB SER A 187 18.735 -17.473 -6.453 1.00 0.00 C ATOM 768 OG SER A 187 19.077 -17.093 -5.137 1.00 0.00 O ATOM 0 H SER A 187 20.960 -16.536 -6.993 1.00 0.00 H new ATOM 0 HA SER A 187 20.007 -19.220 -6.459 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.565 -16.587 -7.065 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.805 -18.041 -6.448 1.00 0.00 H new ATOM 0 HG SER A 187 19.676 -16.318 -5.166 1.00 0.00 H new ATOM 774 N THR A 188 19.278 -17.792 -9.373 1.00 0.00 N ATOM 775 CA THR A 188 18.829 -18.070 -10.731 1.00 0.00 C ATOM 776 C THR A 188 19.983 -18.512 -11.636 1.00 0.00 C ATOM 777 O THR A 188 19.912 -19.581 -12.240 1.00 0.00 O ATOM 778 CB THR A 188 18.158 -16.811 -11.297 1.00 0.00 C ATOM 779 OG1 THR A 188 17.218 -16.315 -10.365 1.00 0.00 O ATOM 780 CG2 THR A 188 17.442 -17.149 -12.607 1.00 0.00 C ATOM 0 H THR A 188 19.407 -16.800 -9.174 1.00 0.00 H new ATOM 0 HA THR A 188 18.117 -18.894 -10.699 1.00 0.00 H new ATOM 0 HB THR A 188 18.920 -16.055 -11.486 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.361 -15.354 -10.236 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.967 -16.252 -13.004 1.00 0.00 H new ATOM 0 HG22 THR A 188 18.165 -17.527 -13.330 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.683 -17.909 -12.421 1.00 0.00 H new ATOM 788 N MET A 189 21.030 -17.684 -11.749 1.00 0.00 N ATOM 789 CA MET A 189 22.146 -17.960 -12.649 1.00 0.00 C ATOM 790 C MET A 189 23.384 -18.343 -11.847 1.00 0.00 C ATOM 791 O MET A 189 24.407 -17.666 -11.919 1.00 0.00 O ATOM 792 CB MET A 189 22.417 -16.718 -13.508 1.00 0.00 C ATOM 793 CG MET A 189 21.191 -16.404 -14.375 1.00 0.00 C ATOM 794 SD MET A 189 21.491 -15.154 -15.652 1.00 0.00 S ATOM 795 CE MET A 189 21.804 -13.720 -14.594 1.00 0.00 C ATOM 0 H MET A 189 21.123 -16.815 -11.223 1.00 0.00 H new ATOM 0 HA MET A 189 21.895 -18.796 -13.301 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.648 -15.866 -12.868 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.288 -16.887 -14.142 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.852 -17.323 -14.853 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.381 -16.063 -13.730 1.00 0.00 H new ATOM 0 HE1 MET A 189 21.039 -12.964 -14.771 1.00 0.00 H new ATOM 0 HE2 MET A 189 21.777 -14.026 -13.548 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.785 -13.305 -14.825 1.00 0.00 H new ATOM 805 N ARG A 190 23.288 -19.434 -11.079 1.00 0.00 N ATOM 806 CA ARG A 190 24.395 -19.899 -10.256 1.00 0.00 C ATOM 807 C ARG A 190 25.615 -20.211 -11.130 1.00 0.00 C ATOM 808 O ARG A 190 26.750 -20.138 -10.660 1.00 0.00 O ATOM 809 CB ARG A 190 23.953 -21.138 -9.471 1.00 0.00 C ATOM 810 CG ARG A 190 24.897 -21.367 -8.280 1.00 0.00 C ATOM 811 CD ARG A 190 25.667 -22.677 -8.463 1.00 0.00 C ATOM 812 NE ARG A 190 24.766 -23.834 -8.377 1.00 0.00 N ATOM 813 CZ ARG A 190 25.200 -25.107 -8.397 1.00 0.00 C ATOM 814 NH1 ARG A 190 26.508 -25.371 -8.522 1.00 0.00 N ATOM 815 NH2 ARG A 190 24.322 -26.114 -8.291 1.00 0.00 N ATOM 0 H ARG A 190 22.448 -20.009 -11.015 1.00 0.00 H new ATOM 0 HA ARG A 190 24.681 -19.117 -9.553 1.00 0.00 H new ATOM 0 HB2 ARG A 190 22.931 -21.009 -9.116 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.956 -22.012 -10.122 1.00 0.00 H new ATOM 0 HG2 ARG A 190 25.595 -20.535 -8.194 1.00 0.00 H new ATOM 0 HG3 ARG A 190 24.324 -21.399 -7.353 1.00 0.00 H new ATOM 0 HD2 ARG A 190 26.171 -22.675 -9.430 1.00 0.00 H new ATOM 0 HD3 ARG A 190 26.442 -22.757 -7.700 1.00 0.00 H new ATOM 0 HE ARG A 190 23.763 -23.664 -8.298 1.00 0.00 H new ATOM 0 HH11 ARG A 190 27.177 -24.606 -8.602 1.00 0.00 H new ATOM 0 HH12 ARG A 190 26.834 -26.337 -8.537 1.00 0.00 H new ATOM 0 HH21 ARG A 190 23.326 -25.915 -8.195 1.00 0.00 H new ATOM 0 HH22 ARG A 190 24.650 -27.080 -8.306 1.00 0.00 H new