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= 0.374 K(o=2.2,f=-0.79) USER MOD Set 1.2: A 187 SER OG : rot -83:sc= 0.934 USER MOD Set 1.3: A 188 THR OG1 : rot 140:sc= 0.851 USER MOD Set 2.1: A 159 HIS : no HE2:sc= -0.416 K(o=-0.42,f=-3.9!) USER MOD Set 2.2: A 164 ASN : amide:sc=-0.000808 K(o=-0.42,f=0.78) USER MOD Single : A 148 THR OG1 : rot -73:sc= 1.09 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.4) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 LYS NZ :NH3+ 164:sc= 1.27 (180deg=0.517) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 179 ASN : amide:sc= -0.0262 X(o=-0.026,f=-0.026) USER MOD Single : A 182 LYS NZ :NH3+ 143:sc= 1.23 (180deg=0.109) USER MOD Single : A 183 ASN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 186 ASN : amide:sc= -0.0211 K(o=-0.021,f=-1.6) USER MOD Single : A 189 MET CE :methyl -160:sc= -0.893 (180deg=-0.956) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.533 -9.009 -12.741 1.00 0.00 N ATOM 89 CA TRP A 147 14.729 -9.167 -13.553 1.00 0.00 C ATOM 90 C TRP A 147 14.339 -9.612 -14.959 1.00 0.00 C ATOM 91 O TRP A 147 13.796 -10.701 -15.139 1.00 0.00 O ATOM 92 CB TRP A 147 15.653 -10.188 -12.888 1.00 0.00 C ATOM 93 CG TRP A 147 16.408 -9.651 -11.714 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.303 -10.073 -10.445 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.392 -8.579 -11.684 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.145 -9.362 -9.619 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.853 -8.418 -10.341 1.00 0.00 C ATOM 98 CE3 TRP A 147 17.946 -7.722 -12.656 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.816 -7.467 -9.990 1.00 0.00 C ATOM 100 CZ3 TRP A 147 18.913 -6.758 -12.308 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.351 -6.635 -10.982 1.00 0.00 C ATOM 0 HA TRP A 147 15.258 -8.217 -13.633 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.060 -11.043 -12.565 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.365 -10.555 -13.628 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.646 -10.864 -10.115 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.234 -9.511 -8.614 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.624 -7.805 -13.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.144 -7.375 -8.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.320 -6.109 -13.069 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.100 -5.900 -10.726 1.00 0.00 H new ATOM 112 N THR A 148 14.616 -8.758 -15.953 1.00 0.00 N ATOM 113 CA THR A 148 14.296 -9.046 -17.345 1.00 0.00 C ATOM 114 C THR A 148 15.513 -9.644 -18.052 1.00 0.00 C ATOM 115 O THR A 148 16.636 -9.545 -17.559 1.00 0.00 O ATOM 116 CB THR A 148 13.855 -7.752 -18.041 1.00 0.00 C ATOM 117 OG1 THR A 148 14.894 -6.798 -17.976 1.00 0.00 O ATOM 118 CG2 THR A 148 12.603 -7.192 -17.359 1.00 0.00 C ATOM 0 H THR A 148 15.066 -7.854 -15.809 1.00 0.00 H new ATOM 0 HA THR A 148 13.484 -9.771 -17.389 1.00 0.00 H new ATOM 0 HB THR A 148 13.628 -7.970 -19.084 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.961 -6.449 -17.063 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.296 -6.273 -17.859 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.798 -7.924 -17.419 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.823 -6.980 -16.313 1.00 0.00 H new ATOM 126 N GLU A 149 15.279 -10.263 -19.218 1.00 0.00 N ATOM 127 CA GLU A 149 16.342 -10.873 -20.008 1.00 0.00 C ATOM 128 C GLU A 149 17.427 -9.840 -20.319 1.00 0.00 C ATOM 129 O GLU A 149 18.613 -10.168 -20.337 1.00 0.00 O ATOM 130 CB GLU A 149 15.750 -11.437 -21.303 1.00 0.00 C ATOM 131 CG GLU A 149 14.745 -12.546 -20.979 1.00 0.00 C ATOM 132 CD GLU A 149 14.219 -13.188 -22.256 1.00 0.00 C ATOM 133 OE1 GLU A 149 14.937 -14.062 -22.788 1.00 0.00 O ATOM 134 OE2 GLU A 149 13.111 -12.792 -22.676 1.00 0.00 O ATOM 0 H GLU A 149 14.351 -10.351 -19.632 1.00 0.00 H new ATOM 0 HA GLU A 149 16.797 -11.685 -19.440 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.259 -10.642 -21.865 1.00 0.00 H new ATOM 0 HB3 GLU A 149 16.546 -11.829 -21.936 1.00 0.00 H new ATOM 0 HG2 GLU A 149 15.220 -13.303 -20.355 1.00 0.00 H new ATOM 0 HG3 GLU A 149 13.915 -12.135 -20.405 1.00 0.00 H new ATOM 141 N GLU A 150 17.018 -8.589 -20.561 1.00 0.00 N ATOM 142 CA GLU A 150 17.951 -7.516 -20.855 1.00 0.00 C ATOM 143 C GLU A 150 18.926 -7.361 -19.685 1.00 0.00 C ATOM 144 O GLU A 150 20.139 -7.388 -19.876 1.00 0.00 O ATOM 145 CB GLU A 150 17.162 -6.219 -21.103 1.00 0.00 C ATOM 146 CG GLU A 150 17.956 -5.282 -22.023 1.00 0.00 C ATOM 147 CD GLU A 150 19.222 -4.771 -21.344 1.00 0.00 C ATOM 148 OE1 GLU A 150 19.090 -4.247 -20.217 1.00 0.00 O ATOM 149 OE2 GLU A 150 20.296 -4.914 -21.966 1.00 0.00 O ATOM 0 H GLU A 150 16.039 -8.302 -20.557 1.00 0.00 H new ATOM 0 HA GLU A 150 18.528 -7.745 -21.751 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.198 -6.452 -21.554 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.958 -5.722 -20.155 1.00 0.00 H new ATOM 0 HG2 GLU A 150 18.221 -5.809 -22.939 1.00 0.00 H new ATOM 0 HG3 GLU A 150 17.330 -4.437 -22.311 1.00 0.00 H new ATOM 156 N GLU A 151 18.388 -7.209 -18.471 1.00 0.00 N ATOM 157 CA GLU A 151 19.205 -7.054 -17.279 1.00 0.00 C ATOM 158 C GLU A 151 20.136 -8.257 -17.116 1.00 0.00 C ATOM 159 O GLU A 151 21.311 -8.088 -16.799 1.00 0.00 O ATOM 160 CB GLU A 151 18.302 -6.912 -16.057 1.00 0.00 C ATOM 161 CG GLU A 151 17.528 -5.592 -16.120 1.00 0.00 C ATOM 162 CD GLU A 151 16.430 -5.562 -15.067 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.351 -6.123 -15.358 1.00 0.00 O ATOM 164 OE2 GLU A 151 16.687 -4.981 -13.989 1.00 0.00 O ATOM 0 H GLU A 151 17.383 -7.191 -18.295 1.00 0.00 H new ATOM 0 HA GLU A 151 19.816 -6.157 -17.377 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.605 -7.749 -16.012 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.901 -6.947 -15.147 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.211 -4.757 -15.965 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.092 -5.467 -17.111 1.00 0.00 H new ATOM 171 N ASP A 152 19.613 -9.473 -17.337 1.00 0.00 N ATOM 172 CA ASP A 152 20.415 -10.687 -17.228 1.00 0.00 C ATOM 173 C ASP A 152 21.647 -10.580 -18.128 1.00 0.00 C ATOM 174 O ASP A 152 22.742 -10.961 -17.722 1.00 0.00 O ATOM 175 CB ASP A 152 19.570 -11.908 -17.614 1.00 0.00 C ATOM 176 CG ASP A 152 18.841 -12.478 -16.404 1.00 0.00 C ATOM 177 OD1 ASP A 152 17.738 -11.971 -16.112 1.00 0.00 O ATOM 178 OD2 ASP A 152 19.403 -13.414 -15.795 1.00 0.00 O ATOM 0 H ASP A 152 18.639 -9.635 -17.592 1.00 0.00 H new ATOM 0 HA ASP A 152 20.747 -10.807 -16.197 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.846 -11.626 -18.378 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.211 -12.674 -18.050 1.00 0.00 H new ATOM 183 N ARG A 153 21.470 -10.058 -19.350 1.00 0.00 N ATOM 184 CA ARG A 153 22.576 -9.902 -20.287 1.00 0.00 C ATOM 185 C ARG A 153 23.580 -8.878 -19.752 1.00 0.00 C ATOM 186 O ARG A 153 24.785 -9.098 -19.844 1.00 0.00 O ATOM 187 CB ARG A 153 22.044 -9.475 -21.662 1.00 0.00 C ATOM 188 CG ARG A 153 21.282 -10.632 -22.331 1.00 0.00 C ATOM 189 CD ARG A 153 22.263 -11.704 -22.828 1.00 0.00 C ATOM 190 NE ARG A 153 22.494 -12.730 -21.802 1.00 0.00 N ATOM 191 CZ ARG A 153 23.521 -13.596 -21.844 1.00 0.00 C ATOM 192 NH1 ARG A 153 24.358 -13.602 -22.891 1.00 0.00 N ATOM 193 NH2 ARG A 153 23.710 -14.455 -20.835 1.00 0.00 N ATOM 0 H ARG A 153 20.569 -9.739 -19.706 1.00 0.00 H new ATOM 0 HA ARG A 153 23.087 -10.858 -20.397 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.385 -8.614 -21.551 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.873 -9.163 -22.298 1.00 0.00 H new ATOM 0 HG2 ARG A 153 20.581 -11.072 -21.622 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.694 -10.253 -23.167 1.00 0.00 H new ATOM 0 HD2 ARG A 153 21.869 -12.171 -23.731 1.00 0.00 H new ATOM 0 HD3 ARG A 153 23.210 -11.237 -23.098 1.00 0.00 H new ATOM 0 HE ARG A 153 21.843 -12.788 -21.019 1.00 0.00 H new ATOM 0 HH11 ARG A 153 24.217 -12.947 -23.660 1.00 0.00 H new ATOM 0 HH12 ARG A 153 25.136 -14.261 -22.918 1.00 0.00 H new ATOM 0 HH21 ARG A 153 23.075 -14.451 -20.037 1.00 0.00 H new ATOM 0 HH22 ARG A 153 24.489 -15.113 -20.865 1.00 0.00 H new ATOM 207 N ILE A 154 23.089 -7.762 -19.192 1.00 0.00 N ATOM 208 CA ILE A 154 23.965 -6.728 -18.645 1.00 0.00 C ATOM 209 C ILE A 154 24.834 -7.327 -17.539 1.00 0.00 C ATOM 210 O ILE A 154 26.059 -7.179 -17.557 1.00 0.00 O ATOM 211 CB ILE A 154 23.124 -5.555 -18.099 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.332 -4.880 -19.239 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.046 -4.530 -17.423 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.245 -4.005 -20.108 1.00 0.00 C ATOM 0 H ILE A 154 22.093 -7.558 -19.109 1.00 0.00 H new ATOM 0 HA ILE A 154 24.612 -6.347 -19.435 1.00 0.00 H new ATOM 0 HB ILE A 154 22.415 -5.942 -17.367 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.859 -5.643 -19.858 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.533 -4.270 -18.818 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.450 -3.703 -17.038 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.579 -5.007 -16.600 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.765 -4.152 -18.150 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.658 -3.543 -20.902 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.698 -3.228 -19.492 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.029 -4.622 -20.548 1.00 0.00 H new ATOM 226 N ILE A 155 24.198 -8.004 -16.575 1.00 0.00 N ATOM 227 CA ILE A 155 24.908 -8.611 -15.461 1.00 0.00 C ATOM 228 C ILE A 155 25.886 -9.660 -15.984 1.00 0.00 C ATOM 229 O ILE A 155 27.026 -9.703 -15.549 1.00 0.00 O ATOM 230 CB ILE A 155 23.905 -9.242 -14.480 1.00 0.00 C ATOM 231 CG1 ILE A 155 22.988 -8.155 -13.897 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.668 -9.928 -13.336 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.704 -8.792 -13.364 1.00 0.00 C ATOM 0 H ILE A 155 23.188 -8.141 -16.552 1.00 0.00 H new ATOM 0 HA ILE A 155 25.472 -7.844 -14.930 1.00 0.00 H new ATOM 0 HB ILE A 155 23.301 -9.977 -15.012 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.502 -7.625 -13.095 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.748 -7.419 -14.664 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.957 -10.375 -12.641 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.314 -10.705 -13.744 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.275 -9.191 -12.810 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.057 -8.017 -12.952 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.187 -9.302 -14.176 1.00 0.00 H new ATOM 0 HD13 ILE A 155 21.952 -9.511 -12.583 1.00 0.00 H new ATOM 245 N TYR A 156 25.432 -10.508 -16.917 1.00 0.00 N ATOM 246 CA TYR A 156 26.266 -11.562 -17.479 1.00 0.00 C ATOM 247 C TYR A 156 27.534 -10.976 -18.098 1.00 0.00 C ATOM 248 O TYR A 156 28.629 -11.436 -17.802 1.00 0.00 O ATOM 249 CB TYR A 156 25.470 -12.341 -18.529 1.00 0.00 C ATOM 250 CG TYR A 156 26.336 -13.262 -19.363 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.777 -14.486 -18.831 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.714 -12.886 -20.666 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.595 -15.332 -19.599 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.529 -13.734 -21.434 1.00 0.00 C ATOM 255 CZ TYR A 156 27.971 -14.957 -20.899 1.00 0.00 C ATOM 256 OH TYR A 156 28.766 -15.780 -21.642 1.00 0.00 O ATOM 0 H TYR A 156 24.485 -10.478 -17.296 1.00 0.00 H new ATOM 0 HA TYR A 156 26.564 -12.240 -16.679 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.699 -12.929 -18.031 1.00 0.00 H new ATOM 0 HB3 TYR A 156 24.959 -11.637 -19.186 1.00 0.00 H new ATOM 0 HD1 TYR A 156 26.487 -14.776 -17.832 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.377 -11.945 -21.075 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.935 -16.272 -19.189 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.816 -13.447 -22.435 1.00 0.00 H new ATOM 0 HH TYR A 156 28.931 -15.372 -22.518 1.00 0.00 H new ATOM 266 N GLN A 157 27.381 -9.971 -18.964 1.00 0.00 N ATOM 267 CA GLN A 157 28.514 -9.357 -19.639 1.00 0.00 C ATOM 268 C GLN A 157 29.504 -8.802 -18.613 1.00 0.00 C ATOM 269 O GLN A 157 30.701 -9.088 -18.684 1.00 0.00 O ATOM 270 CB GLN A 157 28.000 -8.246 -20.567 1.00 0.00 C ATOM 271 CG GLN A 157 29.121 -7.774 -21.503 1.00 0.00 C ATOM 272 CD GLN A 157 29.520 -8.865 -22.496 1.00 0.00 C ATOM 273 OE1 GLN A 157 28.742 -9.773 -22.779 1.00 0.00 O ATOM 274 NE2 GLN A 157 30.739 -8.774 -23.027 1.00 0.00 N ATOM 0 H GLN A 157 26.477 -9.568 -19.211 1.00 0.00 H new ATOM 0 HA GLN A 157 29.038 -10.104 -20.235 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.158 -8.613 -21.153 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.634 -7.407 -19.974 1.00 0.00 H new ATOM 0 HG2 GLN A 157 28.793 -6.888 -22.047 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.990 -7.482 -20.913 1.00 0.00 H new ATOM 0 HE21 GLN A 157 31.353 -8.003 -22.764 1.00 0.00 H new ATOM 0 HE22 GLN A 157 31.057 -9.475 -23.696 1.00 0.00 H new ATOM 283 N ALA A 158 29.003 -8.009 -17.661 1.00 0.00 N ATOM 284 CA ALA A 158 29.841 -7.408 -16.634 1.00 0.00 C ATOM 285 C ALA A 158 30.480 -8.492 -15.759 1.00 0.00 C ATOM 286 O ALA A 158 31.617 -8.340 -15.319 1.00 0.00 O ATOM 287 CB ALA A 158 28.990 -6.462 -15.789 1.00 0.00 C ATOM 0 H ALA A 158 28.014 -7.771 -17.585 1.00 0.00 H new ATOM 0 HA ALA A 158 30.647 -6.844 -17.105 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.610 -6.007 -15.017 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.572 -5.682 -16.425 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.180 -7.021 -15.321 1.00 0.00 H new ATOM 293 N HIS A 159 29.746 -9.581 -15.509 1.00 0.00 N ATOM 294 CA HIS A 159 30.230 -10.676 -14.683 1.00 0.00 C ATOM 295 C HIS A 159 31.355 -11.421 -15.399 1.00 0.00 C ATOM 296 O HIS A 159 32.346 -11.782 -14.781 1.00 0.00 O ATOM 297 CB HIS A 159 29.067 -11.622 -14.365 1.00 0.00 C ATOM 298 CG HIS A 159 29.484 -12.794 -13.517 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.102 -13.923 -14.044 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.383 -13.044 -12.174 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.330 -14.758 -13.011 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.913 -14.280 -11.840 1.00 0.00 N ATOM 0 H HIS A 159 28.804 -9.722 -15.875 1.00 0.00 H new ATOM 0 HA HIS A 159 30.630 -10.280 -13.750 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.283 -11.067 -13.849 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.637 -11.988 -15.297 1.00 0.00 H new ATOM 0 HD1 HIS A 159 30.337 -14.087 -15.023 1.00 0.00 H new ATOM 0 HD2 HIS A 159 28.944 -12.361 -11.462 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.805 -15.722 -13.122 1.00 0.00 H new ATOM 310 N LYS A 160 31.203 -11.655 -16.702 1.00 0.00 N ATOM 311 CA LYS A 160 32.214 -12.359 -17.475 1.00 0.00 C ATOM 312 C LYS A 160 33.504 -11.535 -17.510 1.00 0.00 C ATOM 313 O LYS A 160 34.600 -12.092 -17.513 1.00 0.00 O ATOM 314 CB LYS A 160 31.687 -12.615 -18.898 1.00 0.00 C ATOM 315 CG LYS A 160 31.996 -14.054 -19.334 1.00 0.00 C ATOM 316 CD LYS A 160 33.511 -14.269 -19.419 1.00 0.00 C ATOM 317 CE LYS A 160 33.804 -15.596 -20.123 1.00 0.00 C ATOM 318 NZ LYS A 160 35.254 -15.860 -20.170 1.00 0.00 N ATOM 0 H LYS A 160 30.387 -11.365 -17.241 1.00 0.00 H new ATOM 0 HA LYS A 160 32.433 -13.319 -17.008 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.611 -12.442 -18.931 1.00 0.00 H new ATOM 0 HB3 LYS A 160 32.144 -11.912 -19.594 1.00 0.00 H new ATOM 0 HG2 LYS A 160 31.561 -14.758 -18.624 1.00 0.00 H new ATOM 0 HG3 LYS A 160 31.538 -14.254 -20.303 1.00 0.00 H new ATOM 0 HD2 LYS A 160 33.975 -13.447 -19.964 1.00 0.00 H new ATOM 0 HD3 LYS A 160 33.944 -14.273 -18.419 1.00 0.00 H new ATOM 0 HE2 LYS A 160 33.300 -16.408 -19.600 1.00 0.00 H new ATOM 0 HE3 LYS A 160 33.402 -15.571 -21.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 35.427 -16.765 -20.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 35.730 -15.095 -20.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 35.630 -15.906 -19.201 1.00 0.00 H new ATOM 332 N ARG A 161 33.367 -10.205 -17.540 1.00 0.00 N ATOM 333 CA ARG A 161 34.509 -9.310 -17.592 1.00 0.00 C ATOM 334 C ARG A 161 35.189 -9.222 -16.219 1.00 0.00 C ATOM 335 O ARG A 161 36.391 -9.458 -16.110 1.00 0.00 O ATOM 336 CB ARG A 161 34.026 -7.927 -18.061 1.00 0.00 C ATOM 337 CG ARG A 161 35.191 -6.924 -18.121 1.00 0.00 C ATOM 338 CD ARG A 161 36.238 -7.374 -19.151 1.00 0.00 C ATOM 339 NE ARG A 161 37.294 -8.184 -18.523 1.00 0.00 N ATOM 340 CZ ARG A 161 38.276 -7.662 -17.765 1.00 0.00 C ATOM 341 NH1 ARG A 161 38.354 -6.337 -17.576 1.00 0.00 N ATOM 342 NH2 ARG A 161 39.179 -8.471 -17.195 1.00 0.00 N ATOM 0 H ARG A 161 32.465 -9.729 -17.529 1.00 0.00 H new ATOM 0 HA ARG A 161 35.248 -9.692 -18.296 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.566 -8.014 -19.045 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.258 -7.557 -17.382 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.814 -5.936 -18.385 1.00 0.00 H new ATOM 0 HG3 ARG A 161 35.654 -6.836 -17.138 1.00 0.00 H new ATOM 0 HD2 ARG A 161 35.752 -7.952 -19.937 1.00 0.00 H new ATOM 0 HD3 ARG A 161 36.682 -6.500 -19.627 1.00 0.00 H new ATOM 0 HE ARG A 161 37.281 -9.193 -18.670 1.00 0.00 H new ATOM 0 HH11 ARG A 161 37.667 -5.719 -18.008 1.00 0.00 H new ATOM 0 HH12 ARG A 161 39.100 -5.947 -17.001 1.00 0.00 H new ATOM 0 HH21 ARG A 161 39.121 -9.480 -17.336 1.00 0.00 H new ATOM 0 HH22 ARG A 161 39.924 -8.078 -16.620 1.00 0.00 H new ATOM 356 N LEU A 162 34.423 -8.865 -15.181 1.00 0.00 N ATOM 357 CA LEU A 162 34.968 -8.670 -13.841 1.00 0.00 C ATOM 358 C LEU A 162 34.925 -9.968 -13.029 1.00 0.00 C ATOM 359 O LEU A 162 35.967 -10.460 -12.599 1.00 0.00 O ATOM 360 CB LEU A 162 34.171 -7.565 -13.129 1.00 0.00 C ATOM 361 CG LEU A 162 34.225 -6.251 -13.929 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.326 -5.214 -13.253 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.661 -5.719 -13.979 1.00 0.00 C ATOM 0 H LEU A 162 33.418 -8.706 -15.249 1.00 0.00 H new ATOM 0 HA LEU A 162 36.013 -8.372 -13.927 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.134 -7.879 -13.007 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.576 -7.405 -12.130 1.00 0.00 H new ATOM 0 HG LEU A 162 33.881 -6.439 -14.946 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.360 -4.281 -13.815 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.301 -5.584 -13.226 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.675 -5.038 -12.236 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.685 -4.789 -14.548 1.00 0.00 H new ATOM 0 HD22 LEU A 162 36.016 -5.533 -12.965 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.305 -6.455 -14.460 1.00 0.00 H new ATOM 375 N GLY A 163 33.720 -10.507 -12.809 1.00 0.00 N ATOM 376 CA GLY A 163 33.530 -11.716 -12.014 1.00 0.00 C ATOM 377 C GLY A 163 32.371 -11.501 -11.048 1.00 0.00 C ATOM 378 O GLY A 163 31.369 -10.893 -11.413 1.00 0.00 O ATOM 0 H GLY A 163 32.854 -10.115 -13.178 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.324 -12.566 -12.665 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.441 -11.950 -11.463 1.00 0.00 H new ATOM 382 N ASN A 164 32.512 -11.985 -9.807 1.00 0.00 N ATOM 383 CA ASN A 164 31.481 -11.809 -8.785 1.00 0.00 C ATOM 384 C ASN A 164 31.696 -10.473 -8.063 1.00 0.00 C ATOM 385 O ASN A 164 31.372 -10.343 -6.884 1.00 0.00 O ATOM 386 CB ASN A 164 31.541 -12.972 -7.788 1.00 0.00 C ATOM 387 CG ASN A 164 31.525 -14.318 -8.506 1.00 0.00 C ATOM 388 OD1 ASN A 164 32.563 -14.954 -8.659 1.00 0.00 O ATOM 389 ND2 ASN A 164 30.345 -14.750 -8.947 1.00 0.00 N ATOM 0 H ASN A 164 33.332 -12.502 -9.490 1.00 0.00 H new ATOM 0 HA ASN A 164 30.497 -11.800 -9.255 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.445 -12.890 -7.184 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.694 -12.912 -7.104 1.00 0.00 H new ATOM 0 HD21 ASN A 164 30.279 -15.643 -9.435 1.00 0.00 H new ATOM 0 HD22 ASN A 164 29.507 -14.187 -8.797 1.00 0.00 H new ATOM 396 N ARG A 165 32.250 -9.483 -8.775 1.00 0.00 N ATOM 397 CA ARG A 165 32.535 -8.175 -8.209 1.00 0.00 C ATOM 398 C ARG A 165 31.283 -7.302 -8.271 1.00 0.00 C ATOM 399 O ARG A 165 31.258 -6.291 -8.971 1.00 0.00 O ATOM 400 CB ARG A 165 33.688 -7.541 -8.995 1.00 0.00 C ATOM 401 CG ARG A 165 35.012 -8.193 -8.586 1.00 0.00 C ATOM 402 CD ARG A 165 36.115 -7.780 -9.566 1.00 0.00 C ATOM 403 NE ARG A 165 37.442 -8.137 -9.047 1.00 0.00 N ATOM 404 CZ ARG A 165 38.104 -7.407 -8.127 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.596 -6.250 -7.676 1.00 0.00 N ATOM 406 NH2 ARG A 165 39.281 -7.841 -7.659 1.00 0.00 N ATOM 0 H ARG A 165 32.510 -9.574 -9.757 1.00 0.00 H new ATOM 0 HA ARG A 165 32.827 -8.270 -7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.524 -7.668 -10.065 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.725 -6.469 -8.803 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.280 -7.891 -7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.907 -9.278 -8.578 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.953 -8.268 -10.527 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.066 -6.705 -9.742 1.00 0.00 H new ATOM 0 HE ARG A 165 37.887 -8.983 -9.402 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.700 -5.914 -8.029 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.106 -5.706 -6.980 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.672 -8.720 -7.999 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.786 -7.293 -6.963 1.00 0.00 H new ATOM 420 N TRP A 166 30.240 -7.695 -7.532 1.00 0.00 N ATOM 421 CA TRP A 166 28.987 -6.951 -7.514 1.00 0.00 C ATOM 422 C TRP A 166 29.219 -5.539 -6.989 1.00 0.00 C ATOM 423 O TRP A 166 28.510 -4.623 -7.367 1.00 0.00 O ATOM 424 CB TRP A 166 27.954 -7.673 -6.655 1.00 0.00 C ATOM 425 CG TRP A 166 28.058 -9.157 -6.665 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.536 -9.889 -5.661 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.699 -10.112 -7.708 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.509 -11.227 -5.963 1.00 0.00 N ATOM 429 CE2 TRP A 166 27.995 -11.429 -7.230 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.154 -10.012 -9.010 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.764 -12.573 -7.994 1.00 0.00 C ATOM 432 CZ3 TRP A 166 26.921 -11.168 -9.786 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.229 -12.443 -9.279 1.00 0.00 C ATOM 0 H TRP A 166 30.244 -8.525 -6.940 1.00 0.00 H new ATOM 0 HA TRP A 166 28.606 -6.886 -8.533 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.050 -7.324 -5.627 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.958 -7.391 -6.996 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.898 -9.482 -4.729 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.824 -11.970 -5.339 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.914 -9.040 -9.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.996 -13.550 -7.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.503 -11.072 -10.777 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.052 -13.321 -9.882 1.00 0.00 H new ATOM 444 N ALA A 167 30.217 -5.358 -6.119 1.00 0.00 N ATOM 445 CA ALA A 167 30.524 -4.046 -5.572 1.00 0.00 C ATOM 446 C ALA A 167 30.815 -3.054 -6.708 1.00 0.00 C ATOM 447 O ALA A 167 30.608 -1.853 -6.541 1.00 0.00 O ATOM 448 CB ALA A 167 31.716 -4.157 -4.621 1.00 0.00 C ATOM 0 H ALA A 167 30.822 -6.107 -5.782 1.00 0.00 H new ATOM 0 HA ALA A 167 29.666 -3.673 -5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.947 -3.174 -4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.471 -4.841 -3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.581 -4.535 -5.165 1.00 0.00 H new ATOM 454 N GLU A 168 31.286 -3.560 -7.862 1.00 0.00 N ATOM 455 CA GLU A 168 31.578 -2.724 -9.021 1.00 0.00 C ATOM 456 C GLU A 168 30.438 -2.821 -10.042 1.00 0.00 C ATOM 457 O GLU A 168 29.995 -1.805 -10.569 1.00 0.00 O ATOM 458 CB GLU A 168 32.904 -3.165 -9.651 1.00 0.00 C ATOM 459 CG GLU A 168 34.071 -2.839 -8.708 1.00 0.00 C ATOM 460 CD GLU A 168 34.630 -4.102 -8.064 1.00 0.00 C ATOM 461 OE1 GLU A 168 33.999 -4.576 -7.099 1.00 0.00 O ATOM 462 OE2 GLU A 168 35.680 -4.572 -8.553 1.00 0.00 O ATOM 0 H GLU A 168 31.471 -4.552 -8.008 1.00 0.00 H new ATOM 0 HA GLU A 168 31.666 -1.685 -8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.880 -4.235 -9.856 1.00 0.00 H new ATOM 0 HB3 GLU A 168 33.047 -2.661 -10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 168 34.860 -2.331 -9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.734 -2.151 -7.933 1.00 0.00 H new ATOM 469 N ILE A 169 29.967 -4.043 -10.324 1.00 0.00 N ATOM 470 CA ILE A 169 28.896 -4.258 -11.300 1.00 0.00 C ATOM 471 C ILE A 169 27.638 -3.495 -10.877 1.00 0.00 C ATOM 472 O ILE A 169 27.009 -2.828 -11.693 1.00 0.00 O ATOM 473 CB ILE A 169 28.591 -5.763 -11.415 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.850 -6.536 -11.845 1.00 0.00 C ATOM 475 CG2 ILE A 169 27.479 -5.986 -12.448 1.00 0.00 C ATOM 476 CD1 ILE A 169 29.719 -8.008 -11.443 1.00 0.00 C ATOM 0 H ILE A 169 30.313 -4.898 -9.888 1.00 0.00 H new ATOM 0 HA ILE A 169 29.219 -3.886 -12.272 1.00 0.00 H new ATOM 0 HB ILE A 169 28.268 -6.129 -10.440 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.987 -6.455 -12.923 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.733 -6.099 -11.378 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.265 -7.052 -12.528 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.579 -5.458 -12.134 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.802 -5.607 -13.418 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.613 -8.550 -11.750 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.604 -8.081 -10.362 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.846 -8.442 -11.931 1.00 0.00 H new ATOM 488 N ALA A 170 27.276 -3.609 -9.596 1.00 0.00 N ATOM 489 CA ALA A 170 26.088 -2.971 -9.051 1.00 0.00 C ATOM 490 C ALA A 170 26.109 -1.457 -9.293 1.00 0.00 C ATOM 491 O ALA A 170 25.060 -0.859 -9.504 1.00 0.00 O ATOM 492 CB ALA A 170 25.996 -3.286 -7.553 1.00 0.00 C ATOM 0 H ALA A 170 27.804 -4.149 -8.911 1.00 0.00 H new ATOM 0 HA ALA A 170 25.207 -3.364 -9.559 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.108 -2.812 -7.135 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.932 -4.365 -7.411 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.883 -2.906 -7.046 1.00 0.00 H new ATOM 498 N LYS A 171 27.298 -0.834 -9.267 1.00 0.00 N ATOM 499 CA LYS A 171 27.410 0.607 -9.489 1.00 0.00 C ATOM 500 C LYS A 171 26.960 0.961 -10.910 1.00 0.00 C ATOM 501 O LYS A 171 26.452 2.057 -11.139 1.00 0.00 O ATOM 502 CB LYS A 171 28.852 1.065 -9.247 1.00 0.00 C ATOM 503 CG LYS A 171 29.162 1.027 -7.749 1.00 0.00 C ATOM 504 CD LYS A 171 30.630 1.401 -7.521 1.00 0.00 C ATOM 505 CE LYS A 171 30.884 1.658 -6.031 1.00 0.00 C ATOM 506 NZ LYS A 171 30.486 0.498 -5.212 1.00 0.00 N ATOM 0 H LYS A 171 28.186 -1.306 -9.095 1.00 0.00 H new ATOM 0 HA LYS A 171 26.760 1.126 -8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.544 0.419 -9.788 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.992 2.075 -9.631 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.512 1.720 -7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 171 28.963 0.032 -7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.277 0.598 -7.875 1.00 0.00 H new ATOM 0 HD3 LYS A 171 30.881 2.290 -8.099 1.00 0.00 H new ATOM 0 HE2 LYS A 171 31.941 1.873 -5.872 1.00 0.00 H new ATOM 0 HE3 LYS A 171 30.328 2.539 -5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 30.908 0.581 -4.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 29.450 0.471 -5.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 30.820 -0.377 -5.664 1.00 0.00 H new ATOM 520 N LEU A 172 27.138 0.032 -11.861 1.00 0.00 N ATOM 521 CA LEU A 172 26.722 0.253 -13.243 1.00 0.00 C ATOM 522 C LEU A 172 25.193 0.220 -13.335 1.00 0.00 C ATOM 523 O LEU A 172 24.625 0.656 -14.336 1.00 0.00 O ATOM 524 CB LEU A 172 27.335 -0.818 -14.159 1.00 0.00 C ATOM 525 CG LEU A 172 28.859 -0.903 -13.963 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.424 -1.990 -14.880 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.512 0.440 -14.306 1.00 0.00 C ATOM 0 H LEU A 172 27.568 -0.878 -11.693 1.00 0.00 H new ATOM 0 HA LEU A 172 27.075 1.231 -13.570 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.883 -1.786 -13.946 1.00 0.00 H new ATOM 0 HB3 LEU A 172 27.111 -0.584 -15.200 1.00 0.00 H new ATOM 0 HG LEU A 172 29.072 -1.145 -12.922 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.504 -2.055 -14.745 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.969 -2.949 -14.631 1.00 0.00 H new ATOM 0 HD13 LEU A 172 29.202 -1.742 -15.918 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.590 0.367 -14.163 1.00 0.00 H new ATOM 0 HD22 LEU A 172 29.300 0.693 -15.345 1.00 0.00 H new ATOM 0 HD23 LEU A 172 29.111 1.216 -13.654 1.00 0.00 H new ATOM 539 N LEU A 173 24.531 -0.298 -12.285 1.00 0.00 N ATOM 540 CA LEU A 173 23.079 -0.383 -12.227 1.00 0.00 C ATOM 541 C LEU A 173 22.582 0.355 -10.976 1.00 0.00 C ATOM 542 O LEU A 173 22.270 -0.284 -9.973 1.00 0.00 O ATOM 543 CB LEU A 173 22.666 -1.863 -12.176 1.00 0.00 C ATOM 544 CG LEU A 173 22.974 -2.558 -13.512 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.933 -4.075 -13.313 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.934 -2.159 -14.565 1.00 0.00 C ATOM 0 H LEU A 173 24.998 -0.667 -11.457 1.00 0.00 H new ATOM 0 HA LEU A 173 22.637 0.079 -13.109 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.196 -2.366 -11.368 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.601 -1.941 -11.956 1.00 0.00 H new ATOM 0 HG LEU A 173 23.963 -2.253 -13.853 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.151 -4.572 -14.258 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.677 -4.365 -12.571 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.942 -4.370 -12.968 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.161 -2.657 -15.508 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.941 -2.457 -14.227 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.959 -1.079 -14.710 1.00 0.00 H new ATOM 558 N PRO A 174 22.506 1.704 -11.025 1.00 0.00 N ATOM 559 CA PRO A 174 22.068 2.507 -9.896 1.00 0.00 C ATOM 560 C PRO A 174 20.664 2.109 -9.434 1.00 0.00 C ATOM 561 O PRO A 174 20.351 2.213 -8.251 1.00 0.00 O ATOM 562 CB PRO A 174 22.104 3.962 -10.375 1.00 0.00 C ATOM 563 CG PRO A 174 22.600 3.946 -11.826 1.00 0.00 C ATOM 564 CD PRO A 174 22.855 2.485 -12.195 1.00 0.00 C ATOM 0 HA PRO A 174 22.717 2.357 -9.033 1.00 0.00 H new ATOM 0 HB2 PRO A 174 21.114 4.413 -10.311 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.767 4.558 -9.748 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.859 4.388 -12.492 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.512 4.534 -11.928 1.00 0.00 H new ATOM 0 HD2 PRO A 174 22.252 2.190 -13.054 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.898 2.330 -12.469 1.00 0.00 H new ATOM 572 N GLY A 175 19.818 1.653 -10.369 1.00 0.00 N ATOM 573 CA GLY A 175 18.455 1.248 -10.049 1.00 0.00 C ATOM 574 C GLY A 175 18.427 -0.122 -9.356 1.00 0.00 C ATOM 575 O GLY A 175 17.347 -0.635 -9.063 1.00 0.00 O ATOM 0 H GLY A 175 20.062 1.558 -11.355 1.00 0.00 H new ATOM 0 HA2 GLY A 175 17.994 1.994 -9.402 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.862 1.208 -10.962 1.00 0.00 H new ATOM 579 N ARG A 176 19.607 -0.711 -9.099 1.00 0.00 N ATOM 580 CA ARG A 176 19.717 -2.011 -8.446 1.00 0.00 C ATOM 581 C ARG A 176 20.742 -1.918 -7.313 1.00 0.00 C ATOM 582 O ARG A 176 21.313 -0.855 -7.077 1.00 0.00 O ATOM 583 CB ARG A 176 20.149 -3.071 -9.474 1.00 0.00 C ATOM 584 CG ARG A 176 19.198 -3.091 -10.685 1.00 0.00 C ATOM 585 CD ARG A 176 17.844 -3.686 -10.288 1.00 0.00 C ATOM 586 NE ARG A 176 16.958 -3.795 -11.460 1.00 0.00 N ATOM 587 CZ ARG A 176 15.927 -2.960 -11.706 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.704 -1.887 -10.930 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.120 -3.207 -12.741 1.00 0.00 N ATOM 0 H ARG A 176 20.506 -0.294 -9.341 1.00 0.00 H new ATOM 0 HA ARG A 176 18.751 -2.301 -8.032 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.165 -2.863 -9.809 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.163 -4.054 -9.003 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.061 -2.079 -11.065 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.638 -3.677 -11.492 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.990 -4.671 -9.844 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.375 -3.060 -9.529 1.00 0.00 H new ATOM 0 HE ARG A 176 17.135 -4.547 -12.126 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.319 -1.692 -10.140 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.920 -1.267 -11.131 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.286 -4.019 -13.335 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.337 -2.583 -12.937 1.00 0.00 H new ATOM 603 N THR A 177 20.972 -3.039 -6.614 1.00 0.00 N ATOM 604 CA THR A 177 21.928 -3.095 -5.513 1.00 0.00 C ATOM 605 C THR A 177 22.755 -4.372 -5.623 1.00 0.00 C ATOM 606 O THR A 177 22.365 -5.308 -6.329 1.00 0.00 O ATOM 607 CB THR A 177 21.178 -3.063 -4.173 1.00 0.00 C ATOM 608 OG1 THR A 177 20.330 -4.191 -4.078 1.00 0.00 O ATOM 609 CG2 THR A 177 20.341 -1.785 -4.068 1.00 0.00 C ATOM 0 H THR A 177 20.501 -3.924 -6.799 1.00 0.00 H new ATOM 0 HA THR A 177 22.594 -2.234 -5.564 1.00 0.00 H new ATOM 0 HB THR A 177 21.904 -3.081 -3.360 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.853 -4.171 -3.222 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.814 -1.773 -3.114 1.00 0.00 H new ATOM 0 HG22 THR A 177 20.995 -0.915 -4.132 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.618 -1.756 -4.883 1.00 0.00 H new ATOM 617 N ASP A 178 23.895 -4.419 -4.918 1.00 0.00 N ATOM 618 CA ASP A 178 24.746 -5.595 -4.921 1.00 0.00 C ATOM 619 C ASP A 178 23.953 -6.786 -4.395 1.00 0.00 C ATOM 620 O ASP A 178 24.045 -7.872 -4.942 1.00 0.00 O ATOM 621 CB ASP A 178 26.004 -5.343 -4.069 1.00 0.00 C ATOM 622 CG ASP A 178 25.735 -5.572 -2.583 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.090 -4.688 -1.984 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.178 -6.635 -2.077 1.00 0.00 O ATOM 0 H ASP A 178 24.240 -3.651 -4.342 1.00 0.00 H new ATOM 0 HA ASP A 178 25.073 -5.812 -5.938 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.806 -6.003 -4.400 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.349 -4.321 -4.223 1.00 0.00 H new ATOM 629 N ASN A 179 23.169 -6.567 -3.331 1.00 0.00 N ATOM 630 CA ASN A 179 22.365 -7.616 -2.725 1.00 0.00 C ATOM 631 C ASN A 179 21.384 -8.191 -3.742 1.00 0.00 C ATOM 632 O ASN A 179 21.254 -9.406 -3.852 1.00 0.00 O ATOM 633 CB ASN A 179 21.608 -7.047 -1.520 1.00 0.00 C ATOM 634 CG ASN A 179 22.568 -6.504 -0.468 1.00 0.00 C ATOM 635 OD1 ASN A 179 22.585 -5.307 -0.203 1.00 0.00 O ATOM 636 ND2 ASN A 179 23.366 -7.388 0.133 1.00 0.00 N ATOM 0 H ASN A 179 23.080 -5.659 -2.874 1.00 0.00 H new ATOM 0 HA ASN A 179 23.021 -8.420 -2.391 1.00 0.00 H new ATOM 0 HB2 ASN A 179 20.940 -6.252 -1.850 1.00 0.00 H new ATOM 0 HB3 ASN A 179 20.985 -7.825 -1.079 1.00 0.00 H new ATOM 0 HD21 ASN A 179 24.026 -7.077 0.846 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.316 -8.375 -0.120 1.00 0.00 H new ATOM 643 N ALA A 180 20.689 -7.316 -4.480 1.00 0.00 N ATOM 644 CA ALA A 180 19.700 -7.744 -5.459 1.00 0.00 C ATOM 645 C ALA A 180 20.350 -8.611 -6.540 1.00 0.00 C ATOM 646 O ALA A 180 19.898 -9.728 -6.788 1.00 0.00 O ATOM 647 CB ALA A 180 19.037 -6.513 -6.079 1.00 0.00 C ATOM 0 H ALA A 180 20.799 -6.304 -4.412 1.00 0.00 H new ATOM 0 HA ALA A 180 18.940 -8.347 -4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.296 -6.830 -6.813 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.549 -5.931 -5.298 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.794 -5.900 -6.569 1.00 0.00 H new ATOM 653 N ILE A 181 21.403 -8.093 -7.184 1.00 0.00 N ATOM 654 CA ILE A 181 22.087 -8.807 -8.260 1.00 0.00 C ATOM 655 C ILE A 181 22.689 -10.111 -7.728 1.00 0.00 C ATOM 656 O ILE A 181 22.459 -11.177 -8.287 1.00 0.00 O ATOM 657 CB ILE A 181 23.180 -7.903 -8.854 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.536 -6.670 -9.508 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.975 -8.680 -9.910 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.566 -5.548 -9.643 1.00 0.00 C ATOM 0 H ILE A 181 21.799 -7.177 -6.974 1.00 0.00 H new ATOM 0 HA ILE A 181 21.373 -9.060 -9.044 1.00 0.00 H new ATOM 0 HB ILE A 181 23.850 -7.582 -8.056 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.143 -6.933 -10.490 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.692 -6.329 -8.908 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.749 -8.037 -10.329 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.439 -9.552 -9.448 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.304 -9.005 -10.705 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.099 -4.679 -10.107 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.938 -5.275 -8.656 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.396 -5.888 -10.262 1.00 0.00 H new ATOM 672 N LYS A 182 23.463 -10.003 -6.649 1.00 0.00 N ATOM 673 CA LYS A 182 24.127 -11.138 -6.019 1.00 0.00 C ATOM 674 C LYS A 182 23.120 -12.245 -5.702 1.00 0.00 C ATOM 675 O LYS A 182 23.313 -13.393 -6.101 1.00 0.00 O ATOM 676 CB LYS A 182 24.803 -10.613 -4.751 1.00 0.00 C ATOM 677 CG LYS A 182 25.456 -11.735 -3.943 1.00 0.00 C ATOM 678 CD LYS A 182 26.433 -11.130 -2.911 1.00 0.00 C ATOM 679 CE LYS A 182 25.842 -9.847 -2.288 1.00 0.00 C ATOM 680 NZ LYS A 182 26.775 -9.232 -1.329 1.00 0.00 N ATOM 0 H LYS A 182 23.647 -9.114 -6.184 1.00 0.00 H new ATOM 0 HA LYS A 182 24.869 -11.577 -6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.558 -9.875 -5.022 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.065 -10.102 -4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.692 -12.323 -3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 182 25.989 -12.414 -4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 182 26.640 -11.859 -2.127 1.00 0.00 H new ATOM 0 HD3 LYS A 182 27.384 -10.902 -3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 182 25.607 -9.133 -3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 182 24.905 -10.084 -1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 26.713 -8.196 -1.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 26.526 -9.528 -0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.746 -9.536 -1.545 1.00 0.00 H new ATOM 694 N ASN A 183 22.048 -11.898 -4.981 1.00 0.00 N ATOM 695 CA ASN A 183 21.026 -12.861 -4.601 1.00 0.00 C ATOM 696 C ASN A 183 20.414 -13.503 -5.844 1.00 0.00 C ATOM 697 O ASN A 183 20.381 -14.724 -5.953 1.00 0.00 O ATOM 698 CB ASN A 183 19.946 -12.156 -3.775 1.00 0.00 C ATOM 699 CG ASN A 183 18.792 -13.104 -3.470 1.00 0.00 C ATOM 700 OD1 ASN A 183 18.835 -13.843 -2.492 1.00 0.00 O ATOM 701 ND2 ASN A 183 17.757 -13.082 -4.311 1.00 0.00 N ATOM 0 H ASN A 183 21.871 -10.949 -4.650 1.00 0.00 H new ATOM 0 HA ASN A 183 21.479 -13.649 -3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.376 -11.789 -2.843 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.575 -11.287 -4.319 1.00 0.00 H new ATOM 0 HD21 ASN A 183 16.958 -13.697 -4.153 1.00 0.00 H new ATOM 0 HD22 ASN A 183 17.764 -12.451 -5.112 1.00 0.00 H new ATOM 708 N HIS A 184 19.923 -12.675 -6.773 1.00 0.00 N ATOM 709 CA HIS A 184 19.283 -13.157 -7.991 1.00 0.00 C ATOM 710 C HIS A 184 20.194 -14.131 -8.736 1.00 0.00 C ATOM 711 O HIS A 184 19.762 -15.217 -9.110 1.00 0.00 O ATOM 712 CB HIS A 184 18.935 -11.958 -8.877 1.00 0.00 C ATOM 713 CG HIS A 184 18.707 -12.335 -10.318 1.00 0.00 C ATOM 714 ND1 HIS A 184 17.896 -13.397 -10.706 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.183 -11.810 -11.492 1.00 0.00 C ATOM 716 CE1 HIS A 184 17.935 -13.443 -12.052 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.705 -12.499 -12.594 1.00 0.00 N ATOM 0 H HIS A 184 19.960 -11.658 -6.698 1.00 0.00 H new ATOM 0 HA HIS A 184 18.371 -13.694 -7.730 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.039 -11.474 -8.488 1.00 0.00 H new ATOM 0 HB3 HIS A 184 19.742 -11.227 -8.822 1.00 0.00 H new ATOM 0 HD2 HIS A 184 19.850 -10.962 -11.550 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.395 -14.174 -12.635 1.00 0.00 H new ATOM 0 HE2 HIS A 184 18.896 -12.326 -13.581 1.00 0.00 H new ATOM 725 N TRP A 185 21.446 -13.737 -8.958 1.00 0.00 N ATOM 726 CA TRP A 185 22.395 -14.555 -9.690 1.00 0.00 C ATOM 727 C TRP A 185 22.631 -15.888 -8.981 1.00 0.00 C ATOM 728 O TRP A 185 22.668 -16.926 -9.627 1.00 0.00 O ATOM 729 CB TRP A 185 23.709 -13.788 -9.835 1.00 0.00 C ATOM 730 CG TRP A 185 24.756 -14.497 -10.635 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.536 -15.498 -10.192 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.161 -14.279 -12.019 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.394 -15.926 -11.173 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.210 -15.200 -12.336 1.00 0.00 C ATOM 735 CE3 TRP A 185 24.753 -13.398 -13.046 1.00 0.00 C ATOM 736 CZ2 TRP A 185 26.818 -15.239 -13.594 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.364 -13.436 -14.317 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.395 -14.353 -14.588 1.00 0.00 C ATOM 0 H TRP A 185 21.824 -12.846 -8.635 1.00 0.00 H new ATOM 0 HA TRP A 185 21.988 -14.773 -10.677 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.503 -12.825 -10.302 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.106 -13.582 -8.841 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.493 -15.911 -9.195 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.075 -16.677 -11.060 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.963 -12.686 -12.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.608 -15.948 -13.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.037 -12.755 -15.089 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.859 -14.372 -15.563 1.00 0.00 H new ATOM 749 N ASN A 186 22.808 -15.857 -7.658 1.00 0.00 N ATOM 750 CA ASN A 186 23.107 -17.062 -6.889 1.00 0.00 C ATOM 751 C ASN A 186 21.882 -17.974 -6.766 1.00 0.00 C ATOM 752 O ASN A 186 22.035 -19.192 -6.695 1.00 0.00 O ATOM 753 CB ASN A 186 23.603 -16.660 -5.494 1.00 0.00 C ATOM 754 CG ASN A 186 24.941 -15.923 -5.559 1.00 0.00 C ATOM 755 OD1 ASN A 186 25.550 -15.815 -6.619 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.399 -15.417 -4.413 1.00 0.00 N ATOM 0 H ASN A 186 22.749 -15.007 -7.098 1.00 0.00 H new ATOM 0 HA ASN A 186 23.881 -17.621 -7.415 1.00 0.00 H new ATOM 0 HB2 ASN A 186 22.860 -16.023 -5.013 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.708 -17.551 -4.875 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.288 -14.917 -4.395 1.00 0.00 H new ATOM 0 HD22 ASN A 186 24.860 -15.530 -3.554 1.00 0.00 H new ATOM 763 N SER A 187 20.676 -17.394 -6.723 1.00 0.00 N ATOM 764 CA SER A 187 19.451 -18.170 -6.552 1.00 0.00 C ATOM 765 C SER A 187 18.948 -18.710 -7.892 1.00 0.00 C ATOM 766 O SER A 187 18.678 -19.905 -8.016 1.00 0.00 O ATOM 767 CB SER A 187 18.382 -17.290 -5.893 1.00 0.00 C ATOM 768 OG SER A 187 18.126 -16.157 -6.697 1.00 0.00 O ATOM 0 H SER A 187 20.527 -16.388 -6.805 1.00 0.00 H new ATOM 0 HA SER A 187 19.664 -19.026 -5.911 1.00 0.00 H new ATOM 0 HB2 SER A 187 17.464 -17.862 -5.753 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.716 -16.976 -4.904 1.00 0.00 H new ATOM 0 HG SER A 187 18.797 -15.467 -6.513 1.00 0.00 H new ATOM 774 N THR A 188 18.814 -17.830 -8.885 1.00 0.00 N ATOM 775 CA THR A 188 18.286 -18.203 -10.187 1.00 0.00 C ATOM 776 C THR A 188 19.368 -18.895 -11.011 1.00 0.00 C ATOM 777 O THR A 188 19.242 -20.079 -11.329 1.00 0.00 O ATOM 778 CB THR A 188 17.768 -16.943 -10.901 1.00 0.00 C ATOM 779 OG1 THR A 188 16.975 -16.184 -10.008 1.00 0.00 O ATOM 780 CG2 THR A 188 16.922 -17.344 -12.111 1.00 0.00 C ATOM 0 H THR A 188 19.068 -16.845 -8.805 1.00 0.00 H new ATOM 0 HA THR A 188 17.459 -18.903 -10.065 1.00 0.00 H new ATOM 0 HB THR A 188 18.618 -16.347 -11.234 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.162 -15.230 -10.134 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.558 -16.448 -12.613 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.530 -17.926 -12.803 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.075 -17.944 -11.780 1.00 0.00 H new ATOM 788 N MET A 189 20.432 -18.161 -11.355 1.00 0.00 N ATOM 789 CA MET A 189 21.527 -18.708 -12.139 1.00 0.00 C ATOM 790 C MET A 189 22.565 -19.300 -11.186 1.00 0.00 C ATOM 791 O MET A 189 22.229 -19.624 -10.054 1.00 0.00 O ATOM 792 CB MET A 189 22.124 -17.599 -13.015 1.00 0.00 C ATOM 793 CG MET A 189 21.031 -17.006 -13.913 1.00 0.00 C ATOM 794 SD MET A 189 21.617 -16.493 -15.547 1.00 0.00 S ATOM 795 CE MET A 189 22.803 -15.224 -15.046 1.00 0.00 C ATOM 0 H MET A 189 20.551 -17.181 -11.097 1.00 0.00 H new ATOM 0 HA MET A 189 21.176 -19.501 -12.799 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.556 -16.819 -12.388 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.932 -18.000 -13.626 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.238 -17.744 -14.038 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.589 -16.146 -13.410 1.00 0.00 H new ATOM 0 HE1 MET A 189 23.001 -14.559 -15.887 1.00 0.00 H new ATOM 0 HE2 MET A 189 22.391 -14.648 -14.217 1.00 0.00 H new ATOM 0 HE3 MET A 189 23.733 -15.699 -14.732 1.00 0.00 H new ATOM 805 N ARG A 190 23.820 -19.436 -11.645 1.00 0.00 N ATOM 806 CA ARG A 190 24.914 -19.963 -10.827 1.00 0.00 C ATOM 807 C ARG A 190 26.168 -20.097 -11.698 1.00 0.00 C ATOM 808 O ARG A 190 26.527 -21.195 -12.118 1.00 0.00 O ATOM 809 CB ARG A 190 24.518 -21.317 -10.197 1.00 0.00 C ATOM 810 CG ARG A 190 24.334 -21.151 -8.678 1.00 0.00 C ATOM 811 CD ARG A 190 23.712 -22.421 -8.074 1.00 0.00 C ATOM 812 NE ARG A 190 22.566 -22.901 -8.868 1.00 0.00 N ATOM 813 CZ ARG A 190 21.345 -22.326 -8.849 1.00 0.00 C ATOM 814 NH1 ARG A 190 21.078 -21.314 -8.019 1.00 0.00 N ATOM 815 NH2 ARG A 190 20.389 -22.772 -9.674 1.00 0.00 N ATOM 0 H ARG A 190 24.100 -19.183 -12.593 1.00 0.00 H new ATOM 0 HA ARG A 190 25.125 -19.275 -10.008 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.594 -21.682 -10.647 1.00 0.00 H new ATOM 0 HB3 ARG A 190 25.287 -22.062 -10.400 1.00 0.00 H new ATOM 0 HG2 ARG A 190 25.297 -20.950 -8.208 1.00 0.00 H new ATOM 0 HG3 ARG A 190 23.695 -20.292 -8.474 1.00 0.00 H new ATOM 0 HD2 ARG A 190 24.468 -23.204 -8.017 1.00 0.00 H new ATOM 0 HD3 ARG A 190 23.387 -22.217 -7.054 1.00 0.00 H new ATOM 0 HE ARG A 190 22.704 -23.715 -9.467 1.00 0.00 H new ATOM 0 HH11 ARG A 190 21.801 -20.967 -7.389 1.00 0.00 H new ATOM 0 HH12 ARG A 190 20.151 -20.889 -8.015 1.00 0.00 H new ATOM 0 HH21 ARG A 190 20.585 -23.543 -10.313 1.00 0.00 H new ATOM 0 HH22 ARG A 190 19.465 -22.341 -9.664 1.00 0.00 H new