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= 0.497 K(o=1.5,f=-2) USER MOD Set 1.2: A 188 THR OG1 : rot 139:sc= 0.979 USER MOD Set 2.1: A 159 HIS : no HE2:sc= -0.458 K(o=-0.46,f=-2.1) USER MOD Set 2.2: A 164 ASN : amide:sc= -0.0057 X(o=-0.46,f=-0.52) USER MOD Single : A 148 THR OG1 : rot -48:sc= 1.04 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ -151:sc= -0.259 (180deg=-0.733) USER MOD Single : A 171 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0385) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.0269 USER MOD Single : A 179 ASN : amide:sc= 0.809 K(o=0.81,f=0) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= -0.0341 X(o=-0.034,f=0) USER MOD Single : A 186 ASN : amide:sc= 1.71 K(o=1.7,f=-7.2!) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl 167:sc= -0.29 (180deg=-0.702) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.918 -8.127 -11.816 1.00 0.00 N ATOM 89 CA TRP A 147 14.820 -8.499 -12.908 1.00 0.00 C ATOM 90 C TRP A 147 14.059 -9.127 -14.077 1.00 0.00 C ATOM 91 O TRP A 147 13.063 -9.823 -13.884 1.00 0.00 O ATOM 92 CB TRP A 147 15.911 -9.443 -12.400 1.00 0.00 C ATOM 93 CG TRP A 147 16.712 -8.895 -11.268 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.590 -9.234 -9.977 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.767 -7.900 -11.309 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.493 -8.544 -9.201 1.00 0.00 N ATOM 97 CE2 TRP A 147 18.257 -7.697 -9.984 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.363 -7.147 -12.336 1.00 0.00 C ATOM 99 CZ2 TRP A 147 19.290 -6.800 -9.703 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.404 -6.240 -12.062 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.870 -6.069 -10.752 1.00 0.00 C ATOM 0 HA TRP A 147 15.291 -7.588 -13.277 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.449 -10.378 -12.085 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.583 -9.681 -13.224 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.879 -9.952 -9.597 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.586 -8.643 -8.190 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.016 -7.266 -13.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.639 -6.670 -8.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.846 -5.672 -12.867 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.674 -5.376 -10.549 1.00 0.00 H new ATOM 112 N THR A 148 14.548 -8.870 -15.298 1.00 0.00 N ATOM 113 CA THR A 148 13.960 -9.414 -16.515 1.00 0.00 C ATOM 114 C THR A 148 15.078 -9.857 -17.462 1.00 0.00 C ATOM 115 O THR A 148 16.257 -9.618 -17.192 1.00 0.00 O ATOM 116 CB THR A 148 13.062 -8.358 -17.182 1.00 0.00 C ATOM 117 OG1 THR A 148 13.805 -7.185 -17.443 1.00 0.00 O ATOM 118 CG2 THR A 148 11.883 -8.021 -16.267 1.00 0.00 C ATOM 0 H THR A 148 15.362 -8.278 -15.462 1.00 0.00 H new ATOM 0 HA THR A 148 13.343 -10.279 -16.272 1.00 0.00 H new ATOM 0 HB THR A 148 12.686 -8.762 -18.122 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.305 -6.929 -16.640 1.00 0.00 H new ATOM 0 HG21 THR A 148 11.252 -7.273 -16.747 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.299 -8.922 -16.080 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.257 -7.628 -15.322 1.00 0.00 H new ATOM 126 N GLU A 149 14.689 -10.504 -18.572 1.00 0.00 N ATOM 127 CA GLU A 149 15.626 -11.014 -19.568 1.00 0.00 C ATOM 128 C GLU A 149 16.705 -9.985 -19.911 1.00 0.00 C ATOM 129 O GLU A 149 17.869 -10.346 -20.058 1.00 0.00 O ATOM 130 CB GLU A 149 14.844 -11.399 -20.831 1.00 0.00 C ATOM 131 CG GLU A 149 14.109 -12.729 -20.612 1.00 0.00 C ATOM 132 CD GLU A 149 14.300 -13.657 -21.806 1.00 0.00 C ATOM 133 OE1 GLU A 149 15.413 -14.224 -21.911 1.00 0.00 O ATOM 134 OE2 GLU A 149 13.338 -13.780 -22.591 1.00 0.00 O ATOM 0 H GLU A 149 13.711 -10.685 -18.799 1.00 0.00 H new ATOM 0 HA GLU A 149 16.131 -11.887 -19.155 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.128 -10.615 -21.078 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.525 -11.486 -21.677 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.482 -13.211 -19.708 1.00 0.00 H new ATOM 0 HG3 GLU A 149 13.046 -12.541 -20.458 1.00 0.00 H new ATOM 141 N GLU A 150 16.321 -8.713 -20.049 1.00 0.00 N ATOM 142 CA GLU A 150 17.256 -7.658 -20.409 1.00 0.00 C ATOM 143 C GLU A 150 18.440 -7.624 -19.434 1.00 0.00 C ATOM 144 O GLU A 150 19.587 -7.795 -19.847 1.00 0.00 O ATOM 145 CB GLU A 150 16.510 -6.315 -20.420 1.00 0.00 C ATOM 146 CG GLU A 150 17.464 -5.175 -20.808 1.00 0.00 C ATOM 147 CD GLU A 150 18.062 -5.401 -22.193 1.00 0.00 C ATOM 148 OE1 GLU A 150 17.262 -5.480 -23.150 1.00 0.00 O ATOM 149 OE2 GLU A 150 19.306 -5.492 -22.267 1.00 0.00 O ATOM 0 H GLU A 150 15.362 -8.393 -19.915 1.00 0.00 H new ATOM 0 HA GLU A 150 17.660 -7.852 -21.402 1.00 0.00 H new ATOM 0 HB2 GLU A 150 15.680 -6.359 -21.125 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.083 -6.121 -19.436 1.00 0.00 H new ATOM 0 HG2 GLU A 150 16.927 -4.227 -20.792 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.264 -5.101 -20.072 1.00 0.00 H new ATOM 156 N GLU A 151 18.160 -7.395 -18.146 1.00 0.00 N ATOM 157 CA GLU A 151 19.204 -7.280 -17.135 1.00 0.00 C ATOM 158 C GLU A 151 20.081 -8.529 -17.088 1.00 0.00 C ATOM 159 O GLU A 151 21.287 -8.414 -16.884 1.00 0.00 O ATOM 160 CB GLU A 151 18.580 -7.038 -15.763 1.00 0.00 C ATOM 161 CG GLU A 151 17.979 -5.628 -15.686 1.00 0.00 C ATOM 162 CD GLU A 151 16.571 -5.593 -16.258 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.730 -6.370 -15.756 1.00 0.00 O ATOM 164 OE2 GLU A 151 16.356 -4.789 -17.187 1.00 0.00 O ATOM 0 H GLU A 151 17.213 -7.286 -17.783 1.00 0.00 H new ATOM 0 HA GLU A 151 19.835 -6.434 -17.406 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.805 -7.781 -15.574 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.335 -7.160 -14.987 1.00 0.00 H new ATOM 0 HG2 GLU A 151 17.960 -5.295 -14.648 1.00 0.00 H new ATOM 0 HG3 GLU A 151 18.613 -4.930 -16.233 1.00 0.00 H new ATOM 171 N ASP A 152 19.489 -9.720 -17.265 1.00 0.00 N ATOM 172 CA ASP A 152 20.251 -10.966 -17.215 1.00 0.00 C ATOM 173 C ASP A 152 21.481 -10.870 -18.122 1.00 0.00 C ATOM 174 O ASP A 152 22.572 -11.267 -17.723 1.00 0.00 O ATOM 175 CB ASP A 152 19.367 -12.148 -17.629 1.00 0.00 C ATOM 176 CG ASP A 152 18.320 -12.461 -16.564 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.737 -12.731 -15.418 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.124 -12.430 -16.919 1.00 0.00 O ATOM 0 H ASP A 152 18.492 -9.841 -17.443 1.00 0.00 H new ATOM 0 HA ASP A 152 20.588 -11.131 -16.191 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.871 -11.920 -18.573 1.00 0.00 H new ATOM 0 HB3 ASP A 152 19.989 -13.027 -17.799 1.00 0.00 H new ATOM 183 N ARG A 153 21.306 -10.340 -19.342 1.00 0.00 N ATOM 184 CA ARG A 153 22.408 -10.211 -20.290 1.00 0.00 C ATOM 185 C ARG A 153 23.441 -9.212 -19.762 1.00 0.00 C ATOM 186 O ARG A 153 24.640 -9.477 -19.826 1.00 0.00 O ATOM 187 CB ARG A 153 21.880 -9.761 -21.662 1.00 0.00 C ATOM 188 CG ARG A 153 21.374 -10.968 -22.469 1.00 0.00 C ATOM 189 CD ARG A 153 20.011 -11.417 -21.941 1.00 0.00 C ATOM 190 NE ARG A 153 19.420 -12.453 -22.797 1.00 0.00 N ATOM 191 CZ ARG A 153 18.277 -13.088 -22.484 1.00 0.00 C ATOM 192 NH1 ARG A 153 17.668 -12.843 -21.321 1.00 0.00 N ATOM 193 NH2 ARG A 153 17.739 -13.968 -23.334 1.00 0.00 N ATOM 0 H ARG A 153 20.411 -9.996 -19.689 1.00 0.00 H new ATOM 0 HA ARG A 153 22.889 -11.182 -20.406 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.072 -9.041 -21.529 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.671 -9.254 -22.214 1.00 0.00 H new ATOM 0 HG2 ARG A 153 21.295 -10.703 -23.523 1.00 0.00 H new ATOM 0 HG3 ARG A 153 22.088 -11.788 -22.399 1.00 0.00 H new ATOM 0 HD2 ARG A 153 20.120 -11.800 -20.926 1.00 0.00 H new ATOM 0 HD3 ARG A 153 19.339 -10.560 -21.888 1.00 0.00 H new ATOM 0 HE ARG A 153 19.896 -12.701 -23.664 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.070 -12.172 -20.666 1.00 0.00 H new ATOM 0 HH12 ARG A 153 16.801 -13.327 -21.087 1.00 0.00 H new ATOM 0 HH21 ARG A 153 18.196 -14.161 -24.225 1.00 0.00 H new ATOM 0 HH22 ARG A 153 16.872 -14.447 -23.091 1.00 0.00 H new ATOM 207 N ILE A 154 22.978 -8.065 -19.243 1.00 0.00 N ATOM 208 CA ILE A 154 23.876 -7.036 -18.722 1.00 0.00 C ATOM 209 C ILE A 154 24.762 -7.629 -17.628 1.00 0.00 C ATOM 210 O ILE A 154 25.983 -7.463 -17.655 1.00 0.00 O ATOM 211 CB ILE A 154 23.062 -5.848 -18.167 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.063 -5.321 -19.220 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.020 -4.723 -17.753 1.00 0.00 C ATOM 214 CD1 ILE A 154 22.760 -5.041 -20.558 1.00 0.00 C ATOM 0 H ILE A 154 21.987 -7.831 -19.175 1.00 0.00 H new ATOM 0 HA ILE A 154 24.509 -6.673 -19.532 1.00 0.00 H new ATOM 0 HB ILE A 154 22.495 -6.190 -17.301 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.268 -6.052 -19.368 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.593 -4.408 -18.854 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.447 -3.883 -17.361 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.700 -5.089 -16.984 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.595 -4.397 -18.620 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.030 -4.671 -21.278 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.538 -4.292 -20.413 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.208 -5.961 -20.935 1.00 0.00 H new ATOM 226 N ILE A 155 24.146 -8.319 -16.664 1.00 0.00 N ATOM 227 CA ILE A 155 24.875 -8.917 -15.560 1.00 0.00 C ATOM 228 C ILE A 155 25.813 -10.002 -16.090 1.00 0.00 C ATOM 229 O ILE A 155 26.959 -10.076 -15.674 1.00 0.00 O ATOM 230 CB ILE A 155 23.888 -9.499 -14.535 1.00 0.00 C ATOM 231 CG1 ILE A 155 22.962 -8.392 -14.003 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.669 -10.107 -13.362 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.701 -9.015 -13.403 1.00 0.00 C ATOM 0 H ILE A 155 23.138 -8.474 -16.633 1.00 0.00 H new ATOM 0 HA ILE A 155 25.474 -8.154 -15.063 1.00 0.00 H new ATOM 0 HB ILE A 155 23.287 -10.268 -15.021 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.482 -7.802 -13.248 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.693 -7.711 -14.810 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.970 -10.520 -12.635 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.320 -10.900 -13.730 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.272 -9.334 -12.887 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.049 -8.226 -13.028 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.177 -9.585 -14.170 1.00 0.00 H new ATOM 0 HD13 ILE A 155 21.977 -9.678 -12.583 1.00 0.00 H new ATOM 245 N TYR A 156 25.325 -10.844 -17.010 1.00 0.00 N ATOM 246 CA TYR A 156 26.129 -11.922 -17.578 1.00 0.00 C ATOM 247 C TYR A 156 27.356 -11.357 -18.300 1.00 0.00 C ATOM 248 O TYR A 156 28.409 -11.996 -18.326 1.00 0.00 O ATOM 249 CB TYR A 156 25.265 -12.751 -18.533 1.00 0.00 C ATOM 250 CG TYR A 156 25.879 -14.086 -18.891 1.00 0.00 C ATOM 251 CD1 TYR A 156 25.838 -15.144 -17.966 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.487 -14.273 -20.145 1.00 0.00 C ATOM 253 CE1 TYR A 156 26.406 -16.386 -18.291 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.055 -15.516 -20.471 1.00 0.00 C ATOM 255 CZ TYR A 156 27.015 -16.573 -19.545 1.00 0.00 C ATOM 256 OH TYR A 156 27.568 -17.779 -19.866 1.00 0.00 O ATOM 0 H TYR A 156 24.374 -10.795 -17.375 1.00 0.00 H new ATOM 0 HA TYR A 156 26.486 -12.566 -16.775 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.290 -12.919 -18.076 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.096 -12.181 -19.446 1.00 0.00 H new ATOM 0 HD1 TYR A 156 25.369 -15.001 -17.004 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.517 -13.462 -20.857 1.00 0.00 H new ATOM 0 HE1 TYR A 156 26.375 -17.197 -17.579 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.523 -15.660 -21.434 1.00 0.00 H new ATOM 0 HH TYR A 156 27.945 -17.736 -20.770 1.00 0.00 H new ATOM 266 N GLN A 157 27.226 -10.162 -18.883 1.00 0.00 N ATOM 267 CA GLN A 157 28.327 -9.524 -19.584 1.00 0.00 C ATOM 268 C GLN A 157 29.344 -8.986 -18.574 1.00 0.00 C ATOM 269 O GLN A 157 30.526 -9.321 -18.644 1.00 0.00 O ATOM 270 CB GLN A 157 27.775 -8.395 -20.464 1.00 0.00 C ATOM 271 CG GLN A 157 28.888 -7.834 -21.355 1.00 0.00 C ATOM 272 CD GLN A 157 28.385 -6.648 -22.171 1.00 0.00 C ATOM 273 OE1 GLN A 157 28.885 -5.536 -22.027 1.00 0.00 O ATOM 274 NE2 GLN A 157 27.393 -6.886 -23.029 1.00 0.00 N ATOM 0 H GLN A 157 26.362 -9.620 -18.879 1.00 0.00 H new ATOM 0 HA GLN A 157 28.834 -10.249 -20.220 1.00 0.00 H new ATOM 0 HB2 GLN A 157 26.958 -8.770 -21.081 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.364 -7.603 -19.838 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.732 -7.525 -20.738 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.251 -8.614 -22.025 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.008 -7.827 -23.115 1.00 0.00 H new ATOM 0 HE22 GLN A 157 27.019 -6.128 -23.599 1.00 0.00 H new ATOM 283 N ALA A 158 28.879 -8.146 -17.641 1.00 0.00 N ATOM 284 CA ALA A 158 29.745 -7.529 -16.643 1.00 0.00 C ATOM 285 C ALA A 158 30.424 -8.592 -15.775 1.00 0.00 C ATOM 286 O ALA A 158 31.641 -8.565 -15.604 1.00 0.00 O ATOM 287 CB ALA A 158 28.912 -6.580 -15.780 1.00 0.00 C ATOM 0 H ALA A 158 27.898 -7.880 -17.561 1.00 0.00 H new ATOM 0 HA ALA A 158 30.531 -6.967 -17.148 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.552 -6.114 -15.030 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.470 -5.808 -16.410 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.120 -7.140 -15.283 1.00 0.00 H new ATOM 293 N HIS A 159 29.634 -9.520 -15.224 1.00 0.00 N ATOM 294 CA HIS A 159 30.145 -10.574 -14.356 1.00 0.00 C ATOM 295 C HIS A 159 31.234 -11.377 -15.065 1.00 0.00 C ATOM 296 O HIS A 159 32.262 -11.677 -14.476 1.00 0.00 O ATOM 297 CB HIS A 159 28.991 -11.491 -13.941 1.00 0.00 C ATOM 298 CG HIS A 159 29.435 -12.604 -13.027 1.00 0.00 C ATOM 299 ND1 HIS A 159 29.985 -13.790 -13.499 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.428 -12.738 -11.664 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.267 -14.544 -12.418 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.950 -13.958 -11.264 1.00 0.00 N ATOM 0 H HIS A 159 28.625 -9.557 -15.370 1.00 0.00 H new ATOM 0 HA HIS A 159 30.586 -10.122 -13.468 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.224 -10.900 -13.441 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.533 -11.919 -14.833 1.00 0.00 H new ATOM 0 HD1 HIS A 159 30.144 -14.041 -14.475 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.060 -11.984 -10.983 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.707 -15.528 -12.481 1.00 0.00 H new ATOM 310 N LYS A 160 31.003 -11.731 -16.328 1.00 0.00 N ATOM 311 CA LYS A 160 31.959 -12.515 -17.094 1.00 0.00 C ATOM 312 C LYS A 160 33.272 -11.743 -17.274 1.00 0.00 C ATOM 313 O LYS A 160 34.332 -12.353 -17.406 1.00 0.00 O ATOM 314 CB LYS A 160 31.330 -12.861 -18.444 1.00 0.00 C ATOM 315 CG LYS A 160 32.315 -13.655 -19.306 1.00 0.00 C ATOM 316 CD LYS A 160 31.571 -14.328 -20.468 1.00 0.00 C ATOM 317 CE LYS A 160 30.837 -13.278 -21.317 1.00 0.00 C ATOM 318 NZ LYS A 160 29.461 -13.052 -20.828 1.00 0.00 N ATOM 0 H LYS A 160 30.157 -11.484 -16.841 1.00 0.00 H new ATOM 0 HA LYS A 160 32.199 -13.435 -16.560 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.421 -13.443 -18.290 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.039 -11.947 -18.962 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.088 -12.992 -19.694 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.817 -14.409 -18.699 1.00 0.00 H new ATOM 0 HD2 LYS A 160 32.277 -14.878 -21.090 1.00 0.00 H new ATOM 0 HD3 LYS A 160 30.857 -15.054 -20.079 1.00 0.00 H new ATOM 0 HE2 LYS A 160 31.391 -12.339 -21.295 1.00 0.00 H new ATOM 0 HE3 LYS A 160 30.806 -13.606 -22.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 28.853 -12.765 -21.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 29.092 -13.930 -20.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 29.467 -12.302 -20.108 1.00 0.00 H new ATOM 332 N ARG A 161 33.203 -10.407 -17.284 1.00 0.00 N ATOM 333 CA ARG A 161 34.381 -9.574 -17.470 1.00 0.00 C ATOM 334 C ARG A 161 35.134 -9.410 -16.142 1.00 0.00 C ATOM 335 O ARG A 161 36.335 -9.672 -16.073 1.00 0.00 O ATOM 336 CB ARG A 161 33.946 -8.206 -18.029 1.00 0.00 C ATOM 337 CG ARG A 161 34.877 -7.762 -19.170 1.00 0.00 C ATOM 338 CD ARG A 161 36.246 -7.339 -18.618 1.00 0.00 C ATOM 339 NE ARG A 161 37.111 -8.503 -18.375 1.00 0.00 N ATOM 340 CZ ARG A 161 37.780 -9.148 -19.346 1.00 0.00 C ATOM 341 NH1 ARG A 161 37.678 -8.749 -20.622 1.00 0.00 N ATOM 342 NH2 ARG A 161 38.552 -10.197 -19.035 1.00 0.00 N ATOM 0 H ARG A 161 32.336 -9.884 -17.164 1.00 0.00 H new ATOM 0 HA ARG A 161 35.059 -10.049 -18.179 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.920 -8.266 -18.393 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.959 -7.462 -17.233 1.00 0.00 H new ATOM 0 HG2 ARG A 161 35.002 -8.578 -19.882 1.00 0.00 H new ATOM 0 HG3 ARG A 161 34.425 -6.931 -19.713 1.00 0.00 H new ATOM 0 HD2 ARG A 161 36.731 -6.664 -19.323 1.00 0.00 H new ATOM 0 HD3 ARG A 161 36.110 -6.785 -17.689 1.00 0.00 H new ATOM 0 HE ARG A 161 37.209 -8.839 -17.417 1.00 0.00 H new ATOM 0 HH11 ARG A 161 37.090 -7.951 -20.861 1.00 0.00 H new ATOM 0 HH12 ARG A 161 38.189 -9.244 -21.353 1.00 0.00 H new ATOM 0 HH21 ARG A 161 38.630 -10.503 -18.065 1.00 0.00 H new ATOM 0 HH22 ARG A 161 39.062 -10.690 -19.768 1.00 0.00 H new ATOM 356 N LEU A 162 34.429 -8.964 -15.096 1.00 0.00 N ATOM 357 CA LEU A 162 35.040 -8.705 -13.796 1.00 0.00 C ATOM 358 C LEU A 162 35.029 -9.964 -12.929 1.00 0.00 C ATOM 359 O LEU A 162 36.084 -10.459 -12.539 1.00 0.00 O ATOM 360 CB LEU A 162 34.272 -7.573 -13.095 1.00 0.00 C ATOM 361 CG LEU A 162 34.384 -6.264 -13.894 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.333 -5.274 -13.388 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.780 -5.657 -13.716 1.00 0.00 C ATOM 0 H LEU A 162 33.427 -8.775 -15.130 1.00 0.00 H new ATOM 0 HA LEU A 162 36.078 -8.408 -13.945 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.223 -7.851 -12.987 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.668 -7.426 -12.090 1.00 0.00 H new ATOM 0 HG LEU A 162 34.219 -6.474 -14.951 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.408 -4.344 -13.951 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.338 -5.700 -13.521 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.503 -5.072 -12.330 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.849 -4.730 -14.286 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.954 -5.448 -12.660 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.531 -6.361 -14.075 1.00 0.00 H new ATOM 375 N GLY A 163 33.829 -10.465 -12.621 1.00 0.00 N ATOM 376 CA GLY A 163 33.652 -11.628 -11.765 1.00 0.00 C ATOM 377 C GLY A 163 32.502 -11.355 -10.807 1.00 0.00 C ATOM 378 O GLY A 163 31.517 -10.733 -11.191 1.00 0.00 O ATOM 0 H GLY A 163 32.953 -10.069 -12.963 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.441 -12.512 -12.367 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.567 -11.831 -11.209 1.00 0.00 H new ATOM 382 N ASN A 164 32.628 -11.802 -9.552 1.00 0.00 N ATOM 383 CA ASN A 164 31.599 -11.565 -8.543 1.00 0.00 C ATOM 384 C ASN A 164 31.824 -10.197 -7.889 1.00 0.00 C ATOM 385 O ASN A 164 31.560 -10.027 -6.698 1.00 0.00 O ATOM 386 CB ASN A 164 31.637 -12.682 -7.491 1.00 0.00 C ATOM 387 CG ASN A 164 31.325 -14.041 -8.112 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.175 -14.469 -8.124 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.352 -14.721 -8.624 1.00 0.00 N ATOM 0 H ASN A 164 33.433 -12.329 -9.215 1.00 0.00 H new ATOM 0 HA ASN A 164 30.617 -11.568 -9.015 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.621 -12.711 -7.024 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.916 -12.466 -6.702 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.197 -15.636 -9.048 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.292 -14.326 -8.592 1.00 0.00 H new ATOM 396 N ARG A 165 32.313 -9.220 -8.669 1.00 0.00 N ATOM 397 CA ARG A 165 32.576 -7.882 -8.165 1.00 0.00 C ATOM 398 C ARG A 165 31.282 -7.080 -8.141 1.00 0.00 C ATOM 399 O ARG A 165 31.150 -6.097 -8.864 1.00 0.00 O ATOM 400 CB ARG A 165 33.604 -7.185 -9.062 1.00 0.00 C ATOM 401 CG ARG A 165 34.976 -7.849 -8.932 1.00 0.00 C ATOM 402 CD ARG A 165 36.051 -6.787 -9.161 1.00 0.00 C ATOM 403 NE ARG A 165 37.387 -7.379 -9.265 1.00 0.00 N ATOM 404 CZ ARG A 165 38.503 -6.635 -9.367 1.00 0.00 C ATOM 405 NH1 ARG A 165 38.427 -5.295 -9.341 1.00 0.00 N ATOM 406 NH2 ARG A 165 39.694 -7.234 -9.494 1.00 0.00 N ATOM 0 H ARG A 165 32.532 -9.343 -9.657 1.00 0.00 H new ATOM 0 HA ARG A 165 32.974 -7.950 -7.152 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.273 -7.223 -10.100 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.677 -6.132 -8.789 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.089 -8.296 -7.944 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.078 -8.654 -9.659 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.827 -6.233 -10.073 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.034 -6.070 -8.340 1.00 0.00 H new ATOM 0 HE ARG A 165 37.474 -8.395 -9.260 1.00 0.00 H new ATOM 0 HH11 ARG A 165 37.521 -4.837 -9.244 1.00 0.00 H new ATOM 0 HH12 ARG A 165 39.276 -4.734 -9.419 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.753 -8.252 -9.513 1.00 0.00 H new ATOM 0 HH22 ARG A 165 40.542 -6.672 -9.572 1.00 0.00 H new ATOM 420 N TRP A 166 30.328 -7.491 -7.310 1.00 0.00 N ATOM 421 CA TRP A 166 29.054 -6.797 -7.209 1.00 0.00 C ATOM 422 C TRP A 166 29.281 -5.347 -6.783 1.00 0.00 C ATOM 423 O TRP A 166 28.538 -4.469 -7.182 1.00 0.00 O ATOM 424 CB TRP A 166 28.153 -7.515 -6.214 1.00 0.00 C ATOM 425 CG TRP A 166 28.187 -9.002 -6.305 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.638 -9.810 -5.347 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.777 -9.882 -7.395 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.550 -11.126 -5.722 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.017 -11.235 -6.992 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.228 -9.689 -8.684 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.729 -12.325 -7.813 1.00 0.00 C ATOM 432 CZ3 TRP A 166 26.936 -10.791 -9.518 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.188 -12.103 -9.082 1.00 0.00 C ATOM 0 H TRP A 166 30.416 -8.302 -6.698 1.00 0.00 H new ATOM 0 HA TRP A 166 28.565 -6.797 -8.183 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.441 -7.219 -5.205 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.127 -7.179 -6.365 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.024 -9.472 -4.397 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.838 -11.915 -5.144 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.030 -8.687 -9.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.922 -13.331 -7.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.516 -10.624 -10.499 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.964 -12.939 -9.727 1.00 0.00 H new ATOM 444 N ALA A 167 30.317 -5.097 -5.976 1.00 0.00 N ATOM 445 CA ALA A 167 30.630 -3.748 -5.522 1.00 0.00 C ATOM 446 C ALA A 167 30.875 -2.816 -6.721 1.00 0.00 C ATOM 447 O ALA A 167 30.738 -1.601 -6.591 1.00 0.00 O ATOM 448 CB ALA A 167 31.862 -3.795 -4.618 1.00 0.00 C ATOM 0 H ALA A 167 30.951 -5.816 -5.626 1.00 0.00 H new ATOM 0 HA ALA A 167 29.784 -3.353 -4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 167 32.101 -2.788 -4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.658 -4.432 -3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.707 -4.198 -5.176 1.00 0.00 H new ATOM 454 N GLU A 168 31.234 -3.389 -7.884 1.00 0.00 N ATOM 455 CA GLU A 168 31.476 -2.620 -9.099 1.00 0.00 C ATOM 456 C GLU A 168 30.269 -2.744 -10.036 1.00 0.00 C ATOM 457 O GLU A 168 29.742 -1.742 -10.516 1.00 0.00 O ATOM 458 CB GLU A 168 32.743 -3.145 -9.793 1.00 0.00 C ATOM 459 CG GLU A 168 33.966 -2.965 -8.881 1.00 0.00 C ATOM 460 CD GLU A 168 35.234 -3.499 -9.547 1.00 0.00 C ATOM 461 OE1 GLU A 168 35.188 -3.715 -10.776 1.00 0.00 O ATOM 462 OE2 GLU A 168 36.230 -3.686 -8.812 1.00 0.00 O ATOM 0 H GLU A 168 31.362 -4.394 -7.999 1.00 0.00 H new ATOM 0 HA GLU A 168 31.619 -1.570 -8.845 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.619 -4.199 -10.042 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.899 -2.612 -10.731 1.00 0.00 H new ATOM 0 HG2 GLU A 168 34.094 -1.909 -8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.800 -3.486 -7.938 1.00 0.00 H new ATOM 469 N ILE A 169 29.841 -3.987 -10.293 1.00 0.00 N ATOM 470 CA ILE A 169 28.723 -4.270 -11.189 1.00 0.00 C ATOM 471 C ILE A 169 27.464 -3.542 -10.709 1.00 0.00 C ATOM 472 O ILE A 169 26.774 -2.903 -11.499 1.00 0.00 O ATOM 473 CB ILE A 169 28.479 -5.792 -11.232 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.752 -6.535 -11.680 1.00 0.00 C ATOM 475 CG2 ILE A 169 27.343 -6.106 -12.210 1.00 0.00 C ATOM 476 CD1 ILE A 169 29.720 -7.975 -11.156 1.00 0.00 C ATOM 0 H ILE A 169 30.263 -4.821 -9.884 1.00 0.00 H new ATOM 0 HA ILE A 169 28.962 -3.916 -12.192 1.00 0.00 H new ATOM 0 HB ILE A 169 28.209 -6.125 -10.230 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.821 -6.535 -12.768 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.636 -6.020 -11.304 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.174 -7.182 -12.238 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.432 -5.604 -11.883 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.613 -5.756 -13.206 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.622 -8.498 -11.474 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.672 -7.965 -10.067 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.844 -8.487 -11.553 1.00 0.00 H new ATOM 488 N ALA A 170 27.171 -3.652 -9.410 1.00 0.00 N ATOM 489 CA ALA A 170 25.992 -3.041 -8.812 1.00 0.00 C ATOM 490 C ALA A 170 26.008 -1.522 -8.996 1.00 0.00 C ATOM 491 O ALA A 170 24.954 -0.908 -9.126 1.00 0.00 O ATOM 492 CB ALA A 170 25.937 -3.409 -7.324 1.00 0.00 C ATOM 0 H ALA A 170 27.749 -4.169 -8.747 1.00 0.00 H new ATOM 0 HA ALA A 170 25.100 -3.420 -9.311 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.057 -2.955 -6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.882 -4.493 -7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.834 -3.041 -6.825 1.00 0.00 H new ATOM 498 N LYS A 171 27.202 -0.918 -9.005 1.00 0.00 N ATOM 499 CA LYS A 171 27.336 0.524 -9.169 1.00 0.00 C ATOM 500 C LYS A 171 27.108 0.900 -10.634 1.00 0.00 C ATOM 501 O LYS A 171 26.528 1.944 -10.921 1.00 0.00 O ATOM 502 CB LYS A 171 28.724 0.968 -8.691 1.00 0.00 C ATOM 503 CG LYS A 171 28.689 1.299 -7.190 1.00 0.00 C ATOM 504 CD LYS A 171 28.084 0.129 -6.398 1.00 0.00 C ATOM 505 CE LYS A 171 28.439 0.261 -4.914 1.00 0.00 C ATOM 506 NZ LYS A 171 27.833 1.470 -4.327 1.00 0.00 N ATOM 0 H LYS A 171 28.088 -1.412 -8.900 1.00 0.00 H new ATOM 0 HA LYS A 171 26.586 1.037 -8.566 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.451 0.178 -8.880 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.049 1.842 -9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.698 1.505 -6.833 1.00 0.00 H new ATOM 0 HG3 LYS A 171 28.101 2.202 -7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 171 27.001 0.117 -6.522 1.00 0.00 H new ATOM 0 HD3 LYS A 171 28.460 -0.817 -6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 171 28.093 -0.621 -4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 171 29.522 0.301 -4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 28.004 1.481 -3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 28.258 2.316 -4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 26.809 1.467 -4.507 1.00 0.00 H new ATOM 520 N LEU A 172 27.557 0.042 -11.561 1.00 0.00 N ATOM 521 CA LEU A 172 27.360 0.275 -12.987 1.00 0.00 C ATOM 522 C LEU A 172 25.877 0.100 -13.331 1.00 0.00 C ATOM 523 O LEU A 172 25.365 0.759 -14.235 1.00 0.00 O ATOM 524 CB LEU A 172 28.224 -0.703 -13.794 1.00 0.00 C ATOM 525 CG LEU A 172 29.713 -0.348 -13.646 1.00 0.00 C ATOM 526 CD1 LEU A 172 30.565 -1.557 -14.036 1.00 0.00 C ATOM 527 CD2 LEU A 172 30.063 0.833 -14.558 1.00 0.00 C ATOM 0 H LEU A 172 28.059 -0.819 -11.342 1.00 0.00 H new ATOM 0 HA LEU A 172 27.661 1.292 -13.241 1.00 0.00 H new ATOM 0 HB2 LEU A 172 28.050 -1.722 -13.449 1.00 0.00 H new ATOM 0 HB3 LEU A 172 27.938 -0.669 -14.845 1.00 0.00 H new ATOM 0 HG LEU A 172 29.913 -0.074 -12.610 1.00 0.00 H new ATOM 0 HD11 LEU A 172 31.621 -1.307 -13.932 1.00 0.00 H new ATOM 0 HD12 LEU A 172 30.325 -2.397 -13.384 1.00 0.00 H new ATOM 0 HD13 LEU A 172 30.357 -1.830 -15.071 1.00 0.00 H new ATOM 0 HD21 LEU A 172 31.119 1.078 -14.447 1.00 0.00 H new ATOM 0 HD22 LEU A 172 29.860 0.565 -15.595 1.00 0.00 H new ATOM 0 HD23 LEU A 172 29.459 1.697 -14.282 1.00 0.00 H new ATOM 539 N LEU A 173 25.192 -0.788 -12.598 1.00 0.00 N ATOM 540 CA LEU A 173 23.772 -1.042 -12.798 1.00 0.00 C ATOM 541 C LEU A 173 22.958 0.070 -12.121 1.00 0.00 C ATOM 542 O LEU A 173 23.506 0.817 -11.310 1.00 0.00 O ATOM 543 CB LEU A 173 23.434 -2.412 -12.184 1.00 0.00 C ATOM 544 CG LEU A 173 23.880 -3.548 -13.118 1.00 0.00 C ATOM 545 CD1 LEU A 173 23.841 -4.870 -12.351 1.00 0.00 C ATOM 546 CD2 LEU A 173 22.941 -3.644 -14.327 1.00 0.00 C ATOM 0 H LEU A 173 25.611 -1.345 -11.854 1.00 0.00 H new ATOM 0 HA LEU A 173 23.527 -1.051 -13.860 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.926 -2.515 -11.217 1.00 0.00 H new ATOM 0 HB3 LEU A 173 22.361 -2.481 -12.005 1.00 0.00 H new ATOM 0 HG LEU A 173 24.892 -3.343 -13.468 1.00 0.00 H new ATOM 0 HD11 LEU A 173 24.156 -5.681 -13.008 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.513 -4.814 -11.495 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.825 -5.059 -12.003 1.00 0.00 H new ATOM 0 HD21 LEU A 173 23.270 -4.453 -14.980 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.926 -3.844 -13.984 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.959 -2.703 -14.878 1.00 0.00 H new ATOM 558 N PRO A 174 21.643 0.189 -12.448 1.00 0.00 N ATOM 559 CA PRO A 174 20.765 1.180 -11.838 1.00 0.00 C ATOM 560 C PRO A 174 20.633 0.946 -10.321 1.00 0.00 C ATOM 561 O PRO A 174 21.497 0.331 -9.706 1.00 0.00 O ATOM 562 CB PRO A 174 19.414 1.035 -12.559 1.00 0.00 C ATOM 563 CG PRO A 174 19.610 -0.001 -13.670 1.00 0.00 C ATOM 564 CD PRO A 174 20.977 -0.638 -13.439 1.00 0.00 C ATOM 0 HA PRO A 174 21.160 2.190 -11.944 1.00 0.00 H new ATOM 0 HB2 PRO A 174 18.638 0.714 -11.864 1.00 0.00 H new ATOM 0 HB3 PRO A 174 19.094 1.990 -12.974 1.00 0.00 H new ATOM 0 HG2 PRO A 174 18.822 -0.754 -13.641 1.00 0.00 H new ATOM 0 HG3 PRO A 174 19.564 0.471 -14.652 1.00 0.00 H new ATOM 0 HD2 PRO A 174 20.874 -1.664 -13.085 1.00 0.00 H new ATOM 0 HD3 PRO A 174 21.551 -0.676 -14.365 1.00 0.00 H new ATOM 572 N GLY A 175 19.542 1.449 -9.719 1.00 0.00 N ATOM 573 CA GLY A 175 19.306 1.318 -8.284 1.00 0.00 C ATOM 574 C GLY A 175 19.044 -0.140 -7.891 1.00 0.00 C ATOM 575 O GLY A 175 17.909 -0.508 -7.589 1.00 0.00 O ATOM 0 H GLY A 175 18.808 1.953 -10.216 1.00 0.00 H new ATOM 0 HA2 GLY A 175 20.170 1.695 -7.736 1.00 0.00 H new ATOM 0 HA3 GLY A 175 18.453 1.933 -7.996 1.00 0.00 H new ATOM 579 N ARG A 176 20.103 -0.957 -7.887 1.00 0.00 N ATOM 580 CA ARG A 176 20.031 -2.360 -7.508 1.00 0.00 C ATOM 581 C ARG A 176 21.203 -2.649 -6.569 1.00 0.00 C ATOM 582 O ARG A 176 22.358 -2.486 -6.958 1.00 0.00 O ATOM 583 CB ARG A 176 20.112 -3.244 -8.762 1.00 0.00 C ATOM 584 CG ARG A 176 18.915 -2.992 -9.700 1.00 0.00 C ATOM 585 CD ARG A 176 17.644 -3.649 -9.144 1.00 0.00 C ATOM 586 NE ARG A 176 16.610 -3.748 -10.190 1.00 0.00 N ATOM 587 CZ ARG A 176 15.446 -4.410 -10.024 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.165 -4.998 -8.854 1.00 0.00 N ATOM 589 NH2 ARG A 176 14.566 -4.479 -11.035 1.00 0.00 N ATOM 0 H ARG A 176 21.040 -0.653 -8.150 1.00 0.00 H new ATOM 0 HA ARG A 176 19.088 -2.577 -7.006 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.042 -3.042 -9.293 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.133 -4.294 -8.469 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.756 -1.920 -9.815 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.133 -3.390 -10.691 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.879 -4.643 -8.762 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.265 -3.067 -8.304 1.00 0.00 H new ATOM 0 HE ARG A 176 16.783 -3.292 -11.086 1.00 0.00 H new ATOM 0 HH11 ARG A 176 15.832 -4.946 -8.084 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.284 -5.497 -8.733 1.00 0.00 H new ATOM 0 HH21 ARG A 176 14.778 -4.032 -11.927 1.00 0.00 H new ATOM 0 HH22 ARG A 176 13.686 -4.979 -10.912 1.00 0.00 H new ATOM 603 N THR A 177 20.911 -3.061 -5.331 1.00 0.00 N ATOM 604 CA THR A 177 21.947 -3.309 -4.337 1.00 0.00 C ATOM 605 C THR A 177 22.790 -4.527 -4.716 1.00 0.00 C ATOM 606 O THR A 177 22.311 -5.443 -5.388 1.00 0.00 O ATOM 607 CB THR A 177 21.300 -3.514 -2.962 1.00 0.00 C ATOM 608 OG1 THR A 177 20.368 -4.572 -3.029 1.00 0.00 O ATOM 609 CG2 THR A 177 20.586 -2.231 -2.527 1.00 0.00 C ATOM 0 H THR A 177 19.962 -3.229 -4.998 1.00 0.00 H new ATOM 0 HA THR A 177 22.609 -2.444 -4.299 1.00 0.00 H new ATOM 0 HB THR A 177 22.075 -3.758 -2.236 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.957 -4.702 -2.149 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.128 -2.383 -1.549 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.307 -1.416 -2.467 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.814 -1.980 -3.254 1.00 0.00 H new ATOM 617 N ASP A 178 24.052 -4.530 -4.267 1.00 0.00 N ATOM 618 CA ASP A 178 24.970 -5.629 -4.510 1.00 0.00 C ATOM 619 C ASP A 178 24.374 -6.937 -3.985 1.00 0.00 C ATOM 620 O ASP A 178 24.490 -7.974 -4.630 1.00 0.00 O ATOM 621 CB ASP A 178 26.311 -5.320 -3.825 1.00 0.00 C ATOM 622 CG ASP A 178 26.186 -5.303 -2.299 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.168 -4.757 -1.808 1.00 0.00 O ATOM 624 OD2 ASP A 178 27.110 -5.838 -1.652 1.00 0.00 O ATOM 0 H ASP A 178 24.457 -3.766 -3.726 1.00 0.00 H new ATOM 0 HA ASP A 178 25.137 -5.744 -5.581 1.00 0.00 H new ATOM 0 HB2 ASP A 178 27.049 -6.066 -4.120 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.680 -4.354 -4.169 1.00 0.00 H new ATOM 629 N ASN A 179 23.734 -6.875 -2.814 1.00 0.00 N ATOM 630 CA ASN A 179 23.115 -8.037 -2.197 1.00 0.00 C ATOM 631 C ASN A 179 22.006 -8.582 -3.097 1.00 0.00 C ATOM 632 O ASN A 179 21.924 -9.791 -3.316 1.00 0.00 O ATOM 633 CB ASN A 179 22.555 -7.646 -0.825 1.00 0.00 C ATOM 634 CG ASN A 179 23.651 -7.645 0.239 1.00 0.00 C ATOM 635 OD1 ASN A 179 23.669 -8.511 1.109 1.00 0.00 O ATOM 636 ND2 ASN A 179 24.564 -6.675 0.172 1.00 0.00 N ATOM 0 H ASN A 179 23.634 -6.016 -2.273 1.00 0.00 H new ATOM 0 HA ASN A 179 23.861 -8.820 -2.065 1.00 0.00 H new ATOM 0 HB2 ASN A 179 22.100 -6.657 -0.883 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.767 -8.343 -0.539 1.00 0.00 H new ATOM 0 HD21 ASN A 179 25.315 -6.633 0.861 1.00 0.00 H new ATOM 0 HD22 ASN A 179 24.511 -5.975 -0.568 1.00 0.00 H new ATOM 643 N ALA A 180 21.149 -7.692 -3.618 1.00 0.00 N ATOM 644 CA ALA A 180 20.050 -8.098 -4.483 1.00 0.00 C ATOM 645 C ALA A 180 20.592 -8.791 -5.732 1.00 0.00 C ATOM 646 O ALA A 180 20.080 -9.834 -6.131 1.00 0.00 O ATOM 647 CB ALA A 180 19.216 -6.873 -4.864 1.00 0.00 C ATOM 0 H ALA A 180 21.202 -6.687 -3.451 1.00 0.00 H new ATOM 0 HA ALA A 180 19.413 -8.804 -3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.394 -7.179 -5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.815 -6.411 -3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.844 -6.155 -5.391 1.00 0.00 H new ATOM 653 N ILE A 181 21.628 -8.208 -6.348 1.00 0.00 N ATOM 654 CA ILE A 181 22.230 -8.770 -7.552 1.00 0.00 C ATOM 655 C ILE A 181 22.862 -10.126 -7.237 1.00 0.00 C ATOM 656 O ILE A 181 22.689 -11.077 -7.992 1.00 0.00 O ATOM 657 CB ILE A 181 23.277 -7.795 -8.105 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.579 -6.524 -8.598 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.025 -8.448 -9.275 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.557 -5.356 -8.584 1.00 0.00 C ATOM 0 H ILE A 181 22.064 -7.344 -6.027 1.00 0.00 H new ATOM 0 HA ILE A 181 21.460 -8.921 -8.308 1.00 0.00 H new ATOM 0 HB ILE A 181 23.986 -7.543 -7.316 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.196 -6.677 -9.607 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.722 -6.300 -7.963 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.768 -7.753 -9.665 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.523 -9.354 -8.929 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.316 -8.702 -10.063 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.053 -4.456 -8.936 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.918 -5.196 -7.568 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.400 -5.579 -9.238 1.00 0.00 H new ATOM 672 N LYS A 182 23.597 -10.209 -6.123 1.00 0.00 N ATOM 673 CA LYS A 182 24.253 -11.443 -5.718 1.00 0.00 C ATOM 674 C LYS A 182 23.217 -12.557 -5.567 1.00 0.00 C ATOM 675 O LYS A 182 23.401 -13.651 -6.098 1.00 0.00 O ATOM 676 CB LYS A 182 25.002 -11.202 -4.402 1.00 0.00 C ATOM 677 CG LYS A 182 25.787 -12.456 -4.006 1.00 0.00 C ATOM 678 CD LYS A 182 26.596 -12.168 -2.739 1.00 0.00 C ATOM 679 CE LYS A 182 27.375 -13.420 -2.328 1.00 0.00 C ATOM 680 NZ LYS A 182 28.138 -13.184 -1.088 1.00 0.00 N ATOM 0 H LYS A 182 23.749 -9.427 -5.486 1.00 0.00 H new ATOM 0 HA LYS A 182 24.970 -11.753 -6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.682 -10.357 -4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.295 -10.942 -3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.104 -13.287 -3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.453 -12.753 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.284 -11.341 -2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.930 -11.861 -1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.685 -14.251 -2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 182 28.056 -13.708 -3.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 28.657 -14.047 -0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.812 -12.406 -1.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.483 -12.932 -0.320 1.00 0.00 H new ATOM 694 N ASN A 183 22.127 -12.275 -4.844 1.00 0.00 N ATOM 695 CA ASN A 183 21.064 -13.247 -4.632 1.00 0.00 C ATOM 696 C ASN A 183 20.432 -13.631 -5.970 1.00 0.00 C ATOM 697 O ASN A 183 20.286 -14.812 -6.272 1.00 0.00 O ATOM 698 CB ASN A 183 20.016 -12.650 -3.690 1.00 0.00 C ATOM 699 CG ASN A 183 18.819 -13.585 -3.545 1.00 0.00 C ATOM 700 OD1 ASN A 183 18.837 -14.496 -2.724 1.00 0.00 O ATOM 701 ND2 ASN A 183 17.777 -13.356 -4.346 1.00 0.00 N ATOM 0 H ASN A 183 21.963 -11.373 -4.396 1.00 0.00 H new ATOM 0 HA ASN A 183 21.476 -14.149 -4.179 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.462 -12.469 -2.712 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.684 -11.685 -4.073 1.00 0.00 H new ATOM 0 HD21 ASN A 183 16.950 -13.951 -4.290 1.00 0.00 H new ATOM 0 HD22 ASN A 183 17.807 -12.586 -5.014 1.00 0.00 H new ATOM 708 N HIS A 184 20.060 -12.621 -6.766 1.00 0.00 N ATOM 709 CA HIS A 184 19.442 -12.829 -8.069 1.00 0.00 C ATOM 710 C HIS A 184 20.305 -13.758 -8.925 1.00 0.00 C ATOM 711 O HIS A 184 19.793 -14.701 -9.524 1.00 0.00 O ATOM 712 CB HIS A 184 19.258 -11.463 -8.738 1.00 0.00 C ATOM 713 CG HIS A 184 18.967 -11.545 -10.213 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.048 -12.432 -10.763 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.462 -10.844 -11.281 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.048 -12.212 -12.093 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.891 -11.253 -12.474 1.00 0.00 N ATOM 0 H HIS A 184 20.182 -11.639 -6.519 1.00 0.00 H new ATOM 0 HA HIS A 184 18.469 -13.308 -7.955 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.443 -10.934 -8.245 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.160 -10.870 -8.587 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.207 -10.066 -11.202 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.424 -12.760 -12.784 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.072 -10.905 -13.416 1.00 0.00 H new ATOM 725 N TRP A 185 21.614 -13.494 -8.978 1.00 0.00 N ATOM 726 CA TRP A 185 22.532 -14.314 -9.747 1.00 0.00 C ATOM 727 C TRP A 185 22.538 -15.736 -9.191 1.00 0.00 C ATOM 728 O TRP A 185 22.357 -16.695 -9.939 1.00 0.00 O ATOM 729 CB TRP A 185 23.934 -13.704 -9.693 1.00 0.00 C ATOM 730 CG TRP A 185 24.978 -14.487 -10.429 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.723 -15.477 -9.912 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.415 -14.364 -11.815 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.585 -15.987 -10.849 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.439 -15.333 -12.056 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.054 -13.536 -12.897 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.065 -15.469 -13.297 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.680 -13.671 -14.153 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.684 -14.634 -14.352 1.00 0.00 C ATOM 0 H TRP A 185 22.055 -12.713 -8.492 1.00 0.00 H new ATOM 0 HA TRP A 185 22.210 -14.350 -10.788 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.895 -12.696 -10.106 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.236 -13.610 -8.650 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.653 -15.826 -8.892 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.244 -16.746 -10.677 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.287 -12.788 -12.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.836 -16.212 -13.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.385 -13.029 -14.970 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.160 -14.729 -15.317 1.00 0.00 H new ATOM 749 N ASN A 186 22.744 -15.869 -7.873 1.00 0.00 N ATOM 750 CA ASN A 186 22.782 -17.172 -7.220 1.00 0.00 C ATOM 751 C ASN A 186 21.359 -17.661 -6.939 1.00 0.00 C ATOM 752 O ASN A 186 21.040 -18.030 -5.810 1.00 0.00 O ATOM 753 CB ASN A 186 23.589 -17.068 -5.917 1.00 0.00 C ATOM 754 CG ASN A 186 25.073 -16.856 -6.203 1.00 0.00 C ATOM 755 OD1 ASN A 186 25.830 -17.820 -6.305 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.490 -15.597 -6.329 1.00 0.00 N ATOM 0 H ASN A 186 22.887 -15.081 -7.241 1.00 0.00 H new ATOM 0 HA ASN A 186 23.266 -17.894 -7.877 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.210 -16.241 -5.316 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.455 -17.976 -5.330 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.473 -15.402 -6.518 1.00 0.00 H new ATOM 0 HD22 ASN A 186 24.826 -14.828 -6.237 1.00 0.00 H new ATOM 763 N SER A 187 20.507 -17.667 -7.972 1.00 0.00 N ATOM 764 CA SER A 187 19.128 -18.114 -7.840 1.00 0.00 C ATOM 765 C SER A 187 18.505 -18.267 -9.225 1.00 0.00 C ATOM 766 O SER A 187 18.064 -19.354 -9.592 1.00 0.00 O ATOM 767 CB SER A 187 18.334 -17.104 -6.998 1.00 0.00 C ATOM 768 OG SER A 187 16.996 -17.541 -6.864 1.00 0.00 O ATOM 0 H SER A 187 20.758 -17.363 -8.913 1.00 0.00 H new ATOM 0 HA SER A 187 19.103 -19.081 -7.337 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.792 -16.997 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.360 -16.122 -7.471 1.00 0.00 H new ATOM 0 HG SER A 187 16.493 -16.895 -6.325 1.00 0.00 H new ATOM 774 N THR A 188 18.464 -17.170 -9.988 1.00 0.00 N ATOM 775 CA THR A 188 17.867 -17.167 -11.312 1.00 0.00 C ATOM 776 C THR A 188 18.837 -17.752 -12.340 1.00 0.00 C ATOM 777 O THR A 188 18.462 -18.639 -13.103 1.00 0.00 O ATOM 778 CB THR A 188 17.484 -15.728 -11.688 1.00 0.00 C ATOM 779 OG1 THR A 188 16.795 -15.124 -10.611 1.00 0.00 O ATOM 780 CG2 THR A 188 16.583 -15.740 -12.925 1.00 0.00 C ATOM 0 H THR A 188 18.843 -16.268 -9.700 1.00 0.00 H new ATOM 0 HA THR A 188 16.972 -17.789 -11.306 1.00 0.00 H new ATOM 0 HB THR A 188 18.389 -15.161 -11.905 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.095 -14.197 -10.510 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.313 -14.717 -13.189 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.114 -16.201 -13.758 1.00 0.00 H new ATOM 0 HG23 THR A 188 15.679 -16.310 -12.711 1.00 0.00 H new ATOM 788 N MET A 189 20.079 -17.245 -12.364 1.00 0.00 N ATOM 789 CA MET A 189 21.077 -17.689 -13.328 1.00 0.00 C ATOM 790 C MET A 189 22.005 -18.729 -12.694 1.00 0.00 C ATOM 791 O MET A 189 21.646 -19.902 -12.606 1.00 0.00 O ATOM 792 CB MET A 189 21.866 -16.474 -13.834 1.00 0.00 C ATOM 793 CG MET A 189 20.982 -15.626 -14.754 1.00 0.00 C ATOM 794 SD MET A 189 21.827 -14.185 -15.453 1.00 0.00 S ATOM 795 CE MET A 189 21.846 -13.134 -13.983 1.00 0.00 C ATOM 0 H MET A 189 20.409 -16.525 -11.721 1.00 0.00 H new ATOM 0 HA MET A 189 20.582 -18.163 -14.176 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.209 -15.875 -12.990 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.755 -16.804 -14.372 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.616 -16.251 -15.568 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.110 -15.288 -14.194 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.525 -12.296 -14.143 1.00 0.00 H new ATOM 0 HE2 MET A 189 20.842 -12.756 -13.793 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.183 -13.715 -13.125 1.00 0.00 H new ATOM 805 N ARG A 190 23.203 -18.297 -12.264 1.00 0.00 N ATOM 806 CA ARG A 190 24.196 -19.194 -11.683 1.00 0.00 C ATOM 807 C ARG A 190 24.675 -20.184 -12.753 1.00 0.00 C ATOM 808 O ARG A 190 24.329 -20.040 -13.927 1.00 0.00 O ATOM 809 CB ARG A 190 23.595 -19.922 -10.467 1.00 0.00 C ATOM 810 CG ARG A 190 24.605 -19.930 -9.317 1.00 0.00 C ATOM 811 CD ARG A 190 23.999 -20.638 -8.103 1.00 0.00 C ATOM 812 NE ARG A 190 24.717 -20.272 -6.876 1.00 0.00 N ATOM 813 CZ ARG A 190 24.486 -20.848 -5.686 1.00 0.00 C ATOM 814 NH1 ARG A 190 23.566 -21.816 -5.570 1.00 0.00 N ATOM 815 NH2 ARG A 190 25.178 -20.450 -4.611 1.00 0.00 N ATOM 0 H ARG A 190 23.501 -17.323 -12.312 1.00 0.00 H new ATOM 0 HA ARG A 190 25.057 -18.623 -11.336 1.00 0.00 H new ATOM 0 HB2 ARG A 190 22.676 -19.427 -10.153 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.330 -20.944 -10.738 1.00 0.00 H new ATOM 0 HG2 ARG A 190 25.519 -20.437 -9.627 1.00 0.00 H new ATOM 0 HG3 ARG A 190 24.880 -18.908 -9.055 1.00 0.00 H new ATOM 0 HD2 ARG A 190 22.947 -20.370 -8.008 1.00 0.00 H new ATOM 0 HD3 ARG A 190 24.042 -21.718 -8.247 1.00 0.00 H new ATOM 0 HE ARG A 190 25.428 -19.543 -6.931 1.00 0.00 H new ATOM 0 HH11 ARG A 190 23.038 -22.118 -6.388 1.00 0.00 H new ATOM 0 HH12 ARG A 190 23.394 -22.250 -4.663 1.00 0.00 H new ATOM 0 HH21 ARG A 190 25.877 -19.712 -4.699 1.00 0.00 H new ATOM 0 HH22 ARG A 190 25.006 -20.885 -3.704 1.00 0.00 H new