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= -0.533 K(o=-0.65,f=-2.4) USER MOD Set 1.2: A 188 THR OG1 : rot 131:sc= 0.459 USER MOD Set 1.3: A 189 MET CE :methyl 172:sc= -0.578 (180deg=-0.735) USER MOD Set 2.1: A 159 HIS : no HE2:sc= -0.367 K(o=-0.37,f=-5.3!) USER MOD Set 2.2: A 164 ASN : amide:sc= 0.00121 X(o=-0.37,f=-0.51) USER MOD Single : A 148 THR OG1 : rot -71:sc= 1.11 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0944) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.0278 USER MOD Single : A 179 ASN : amide:sc= 0.866 K(o=0.87,f=0) USER MOD Single : A 182 LYS NZ :NH3+ -144:sc= -0.439 (180deg=-2.15!) USER MOD Single : A 183 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 ASN : amide:sc= 0.973 K(o=0.97,f=0) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.602 -8.955 -12.105 1.00 0.00 N ATOM 89 CA TRP A 147 14.610 -8.829 -13.166 1.00 0.00 C ATOM 90 C TRP A 147 14.049 -9.260 -14.522 1.00 0.00 C ATOM 91 O TRP A 147 13.255 -10.196 -14.612 1.00 0.00 O ATOM 92 CB TRP A 147 15.872 -9.640 -12.830 1.00 0.00 C ATOM 93 CG TRP A 147 16.671 -9.117 -11.682 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.566 -9.505 -10.402 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.728 -8.121 -11.699 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.471 -8.833 -9.611 1.00 0.00 N ATOM 97 CE2 TRP A 147 18.228 -7.960 -10.371 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.321 -7.338 -12.705 1.00 0.00 C ATOM 99 CZ2 TRP A 147 19.268 -7.075 -10.068 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.367 -6.443 -12.410 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.843 -6.316 -11.097 1.00 0.00 C ATOM 0 HA TRP A 147 14.883 -7.776 -13.230 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.578 -10.667 -12.611 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.511 -9.672 -13.713 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.866 -10.244 -10.041 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.569 -8.961 -8.604 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.968 -7.425 -13.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.624 -6.978 -9.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.805 -5.851 -13.200 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.652 -5.634 -10.879 1.00 0.00 H new ATOM 112 N THR A 148 14.483 -8.566 -15.582 1.00 0.00 N ATOM 113 CA THR A 148 14.083 -8.886 -16.944 1.00 0.00 C ATOM 114 C THR A 148 15.146 -9.789 -17.565 1.00 0.00 C ATOM 115 O THR A 148 16.300 -9.770 -17.138 1.00 0.00 O ATOM 116 CB THR A 148 13.922 -7.595 -17.757 1.00 0.00 C ATOM 117 OG1 THR A 148 15.147 -6.896 -17.789 1.00 0.00 O ATOM 118 CG2 THR A 148 12.846 -6.710 -17.123 1.00 0.00 C ATOM 0 H THR A 148 15.119 -7.771 -15.512 1.00 0.00 H new ATOM 0 HA THR A 148 13.125 -9.406 -16.943 1.00 0.00 H new ATOM 0 HB THR A 148 13.624 -7.851 -18.774 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.328 -6.513 -16.905 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.737 -5.795 -17.706 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.897 -7.246 -17.108 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.137 -6.458 -16.103 1.00 0.00 H new ATOM 126 N GLU A 149 14.759 -10.583 -18.570 1.00 0.00 N ATOM 127 CA GLU A 149 15.677 -11.512 -19.214 1.00 0.00 C ATOM 128 C GLU A 149 16.875 -10.779 -19.830 1.00 0.00 C ATOM 129 O GLU A 149 17.928 -11.380 -20.019 1.00 0.00 O ATOM 130 CB GLU A 149 14.928 -12.324 -20.281 1.00 0.00 C ATOM 131 CG GLU A 149 14.282 -11.396 -21.321 1.00 0.00 C ATOM 132 CD GLU A 149 14.090 -12.125 -22.644 1.00 0.00 C ATOM 133 OE1 GLU A 149 15.107 -12.274 -23.362 1.00 0.00 O ATOM 134 OE2 GLU A 149 12.938 -12.519 -22.913 1.00 0.00 O ATOM 0 H GLU A 149 13.813 -10.596 -18.951 1.00 0.00 H new ATOM 0 HA GLU A 149 16.067 -12.192 -18.457 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.619 -13.007 -20.776 1.00 0.00 H new ATOM 0 HB3 GLU A 149 14.161 -12.935 -19.806 1.00 0.00 H new ATOM 0 HG2 GLU A 149 13.320 -11.041 -20.952 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.909 -10.517 -21.471 1.00 0.00 H new ATOM 141 N GLU A 150 16.721 -9.487 -20.152 1.00 0.00 N ATOM 142 CA GLU A 150 17.795 -8.726 -20.763 1.00 0.00 C ATOM 143 C GLU A 150 18.845 -8.359 -19.720 1.00 0.00 C ATOM 144 O GLU A 150 20.039 -8.438 -19.994 1.00 0.00 O ATOM 145 CB GLU A 150 17.227 -7.476 -21.444 1.00 0.00 C ATOM 146 CG GLU A 150 18.278 -6.877 -22.391 1.00 0.00 C ATOM 147 CD GLU A 150 18.686 -7.883 -23.465 1.00 0.00 C ATOM 148 OE1 GLU A 150 17.863 -8.108 -24.376 1.00 0.00 O ATOM 149 OE2 GLU A 150 19.810 -8.421 -23.350 1.00 0.00 O ATOM 0 H GLU A 150 15.863 -8.958 -19.996 1.00 0.00 H new ATOM 0 HA GLU A 150 18.281 -9.338 -21.523 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.326 -7.732 -22.001 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.939 -6.740 -20.693 1.00 0.00 H new ATOM 0 HG2 GLU A 150 17.878 -5.979 -22.862 1.00 0.00 H new ATOM 0 HG3 GLU A 150 19.156 -6.573 -21.820 1.00 0.00 H new ATOM 156 N GLU A 151 18.408 -7.960 -18.522 1.00 0.00 N ATOM 157 CA GLU A 151 19.333 -7.591 -17.462 1.00 0.00 C ATOM 158 C GLU A 151 20.285 -8.753 -17.171 1.00 0.00 C ATOM 159 O GLU A 151 21.454 -8.526 -16.875 1.00 0.00 O ATOM 160 CB GLU A 151 18.560 -7.197 -16.210 1.00 0.00 C ATOM 161 CG GLU A 151 17.921 -5.818 -16.407 1.00 0.00 C ATOM 162 CD GLU A 151 16.950 -5.503 -15.277 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.884 -6.158 -15.245 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.288 -4.616 -14.461 1.00 0.00 O ATOM 0 H GLU A 151 17.423 -7.886 -18.269 1.00 0.00 H new ATOM 0 HA GLU A 151 19.925 -6.734 -17.784 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.789 -7.938 -15.999 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.229 -7.179 -15.349 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.698 -5.055 -16.447 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.396 -5.789 -17.362 1.00 0.00 H new ATOM 171 N ASP A 152 19.790 -9.998 -17.266 1.00 0.00 N ATOM 172 CA ASP A 152 20.625 -11.173 -17.052 1.00 0.00 C ATOM 173 C ASP A 152 21.852 -11.098 -17.964 1.00 0.00 C ATOM 174 O ASP A 152 22.971 -11.331 -17.514 1.00 0.00 O ATOM 175 CB ASP A 152 19.822 -12.449 -17.336 1.00 0.00 C ATOM 176 CG ASP A 152 18.844 -12.756 -16.206 1.00 0.00 C ATOM 177 OD1 ASP A 152 17.857 -12.002 -16.089 1.00 0.00 O ATOM 178 OD2 ASP A 152 19.101 -13.744 -15.482 1.00 0.00 O ATOM 0 H ASP A 152 18.817 -10.208 -17.489 1.00 0.00 H new ATOM 0 HA ASP A 152 20.955 -11.199 -16.013 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.275 -12.335 -18.272 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.505 -13.289 -17.466 1.00 0.00 H new ATOM 183 N ARG A 153 21.639 -10.764 -19.250 1.00 0.00 N ATOM 184 CA ARG A 153 22.729 -10.654 -20.214 1.00 0.00 C ATOM 185 C ARG A 153 23.705 -9.559 -19.775 1.00 0.00 C ATOM 186 O ARG A 153 24.918 -9.759 -19.824 1.00 0.00 O ATOM 187 CB ARG A 153 22.172 -10.341 -21.618 1.00 0.00 C ATOM 188 CG ARG A 153 21.864 -11.637 -22.388 1.00 0.00 C ATOM 189 CD ARG A 153 20.419 -12.083 -22.137 1.00 0.00 C ATOM 190 NE ARG A 153 19.458 -11.207 -22.833 1.00 0.00 N ATOM 191 CZ ARG A 153 18.178 -11.564 -23.074 1.00 0.00 C ATOM 192 NH1 ARG A 153 17.707 -12.736 -22.636 1.00 0.00 N ATOM 193 NH2 ARG A 153 17.364 -10.748 -23.750 1.00 0.00 N ATOM 0 H ARG A 153 20.717 -10.567 -19.638 1.00 0.00 H new ATOM 0 HA ARG A 153 23.260 -11.605 -20.256 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.266 -9.742 -21.529 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.894 -9.745 -22.176 1.00 0.00 H new ATOM 0 HG2 ARG A 153 22.021 -11.479 -23.455 1.00 0.00 H new ATOM 0 HG3 ARG A 153 22.552 -12.423 -22.078 1.00 0.00 H new ATOM 0 HD2 ARG A 153 20.289 -13.111 -22.477 1.00 0.00 H new ATOM 0 HD3 ARG A 153 20.214 -12.073 -21.067 1.00 0.00 H new ATOM 0 HE ARG A 153 19.775 -10.290 -23.147 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.316 -13.368 -22.116 1.00 0.00 H new ATOM 0 HH12 ARG A 153 16.739 -12.998 -22.822 1.00 0.00 H new ATOM 0 HH21 ARG A 153 17.708 -9.849 -24.088 1.00 0.00 H new ATOM 0 HH22 ARG A 153 16.398 -11.024 -23.928 1.00 0.00 H new ATOM 207 N ILE A 154 23.178 -8.400 -19.347 1.00 0.00 N ATOM 208 CA ILE A 154 24.018 -7.285 -18.913 1.00 0.00 C ATOM 209 C ILE A 154 24.922 -7.735 -17.766 1.00 0.00 C ATOM 210 O ILE A 154 26.135 -7.517 -17.807 1.00 0.00 O ATOM 211 CB ILE A 154 23.139 -6.097 -18.469 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.180 -5.668 -19.600 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.035 -4.916 -18.073 1.00 0.00 C ATOM 214 CD1 ILE A 154 22.936 -5.434 -20.913 1.00 0.00 C ATOM 0 H ILE A 154 22.176 -8.216 -19.294 1.00 0.00 H new ATOM 0 HA ILE A 154 24.640 -6.962 -19.748 1.00 0.00 H new ATOM 0 HB ILE A 154 22.541 -6.409 -17.613 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.421 -6.436 -19.747 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.658 -4.756 -19.311 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.414 -4.077 -17.759 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.686 -5.213 -17.251 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.643 -4.618 -18.927 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.232 -5.133 -21.689 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.677 -4.648 -20.771 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.436 -6.354 -21.214 1.00 0.00 H new ATOM 226 N ILE A 155 24.331 -8.362 -16.744 1.00 0.00 N ATOM 227 CA ILE A 155 25.082 -8.827 -15.590 1.00 0.00 C ATOM 228 C ILE A 155 26.101 -9.879 -16.025 1.00 0.00 C ATOM 229 O ILE A 155 27.215 -9.884 -15.530 1.00 0.00 O ATOM 230 CB ILE A 155 24.121 -9.394 -14.532 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.164 -8.290 -14.051 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.927 -9.921 -13.333 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.953 -8.916 -13.360 1.00 0.00 C ATOM 0 H ILE A 155 23.331 -8.556 -16.699 1.00 0.00 H new ATOM 0 HA ILE A 155 25.621 -7.990 -15.146 1.00 0.00 H new ATOM 0 HB ILE A 155 23.545 -10.207 -14.974 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.682 -7.622 -13.362 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.838 -7.685 -14.897 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.244 -10.323 -12.584 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.603 -10.708 -13.667 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.505 -9.106 -12.897 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.280 -8.128 -13.022 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.429 -9.565 -14.062 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.286 -9.502 -12.503 1.00 0.00 H new ATOM 245 N TYR A 156 25.719 -10.769 -16.952 1.00 0.00 N ATOM 246 CA TYR A 156 26.619 -11.815 -17.432 1.00 0.00 C ATOM 247 C TYR A 156 27.849 -11.191 -18.088 1.00 0.00 C ATOM 248 O TYR A 156 28.972 -11.627 -17.839 1.00 0.00 O ATOM 249 CB TYR A 156 25.876 -12.729 -18.414 1.00 0.00 C ATOM 250 CG TYR A 156 26.411 -14.147 -18.431 1.00 0.00 C ATOM 251 CD1 TYR A 156 27.504 -14.484 -19.250 1.00 0.00 C ATOM 252 CD2 TYR A 156 25.811 -15.131 -17.624 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.997 -15.802 -19.258 1.00 0.00 C ATOM 254 CE2 TYR A 156 26.304 -16.446 -17.632 1.00 0.00 C ATOM 255 CZ TYR A 156 27.396 -16.783 -18.447 1.00 0.00 C ATOM 256 OH TYR A 156 27.873 -18.062 -18.450 1.00 0.00 O ATOM 0 H TYR A 156 24.794 -10.781 -17.381 1.00 0.00 H new ATOM 0 HA TYR A 156 26.955 -12.417 -16.588 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.818 -12.750 -18.152 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.948 -12.308 -19.417 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.965 -13.731 -19.873 1.00 0.00 H new ATOM 0 HD2 TYR A 156 24.970 -14.875 -16.997 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.836 -16.061 -19.886 1.00 0.00 H new ATOM 0 HE2 TYR A 156 25.842 -17.199 -17.010 1.00 0.00 H new ATOM 0 HH TYR A 156 27.344 -18.610 -17.833 1.00 0.00 H new ATOM 266 N GLN A 157 27.637 -10.169 -18.924 1.00 0.00 N ATOM 267 CA GLN A 157 28.728 -9.491 -19.607 1.00 0.00 C ATOM 268 C GLN A 157 29.656 -8.838 -18.581 1.00 0.00 C ATOM 269 O GLN A 157 30.865 -9.068 -18.599 1.00 0.00 O ATOM 270 CB GLN A 157 28.151 -8.444 -20.565 1.00 0.00 C ATOM 271 CG GLN A 157 29.258 -7.917 -21.485 1.00 0.00 C ATOM 272 CD GLN A 157 28.797 -6.676 -22.241 1.00 0.00 C ATOM 273 OE1 GLN A 157 29.463 -5.645 -22.207 1.00 0.00 O ATOM 274 NE2 GLN A 157 27.655 -6.775 -22.923 1.00 0.00 N ATOM 0 H GLN A 157 26.712 -9.797 -19.140 1.00 0.00 H new ATOM 0 HA GLN A 157 29.309 -10.211 -20.183 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.350 -8.884 -21.159 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.713 -7.622 -19.999 1.00 0.00 H new ATOM 0 HG2 GLN A 157 30.143 -7.680 -20.895 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.546 -8.693 -22.194 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.135 -7.653 -22.922 1.00 0.00 H new ATOM 0 HE22 GLN A 157 27.302 -5.973 -23.445 1.00 0.00 H new ATOM 283 N ALA A 158 29.087 -8.019 -17.689 1.00 0.00 N ATOM 284 CA ALA A 158 29.861 -7.326 -16.669 1.00 0.00 C ATOM 285 C ALA A 158 30.581 -8.333 -15.771 1.00 0.00 C ATOM 286 O ALA A 158 31.727 -8.114 -15.386 1.00 0.00 O ATOM 287 CB ALA A 158 28.927 -6.439 -15.846 1.00 0.00 C ATOM 0 H ALA A 158 28.086 -7.823 -17.659 1.00 0.00 H new ATOM 0 HA ALA A 158 30.617 -6.703 -17.147 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.501 -5.917 -15.080 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.448 -5.710 -16.500 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.165 -7.056 -15.370 1.00 0.00 H new ATOM 293 N HIS A 159 29.903 -9.435 -15.439 1.00 0.00 N ATOM 294 CA HIS A 159 30.464 -10.467 -14.584 1.00 0.00 C ATOM 295 C HIS A 159 31.632 -11.158 -15.286 1.00 0.00 C ATOM 296 O HIS A 159 32.619 -11.497 -14.649 1.00 0.00 O ATOM 297 CB HIS A 159 29.368 -11.476 -14.217 1.00 0.00 C ATOM 298 CG HIS A 159 29.881 -12.599 -13.362 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.557 -13.690 -13.888 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.835 -12.829 -12.013 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.871 -14.487 -12.851 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.459 -14.020 -11.675 1.00 0.00 N ATOM 0 H HIS A 159 28.954 -9.630 -15.757 1.00 0.00 H new ATOM 0 HA HIS A 159 30.845 -10.015 -13.668 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.566 -10.960 -13.690 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.937 -11.887 -15.130 1.00 0.00 H new ATOM 0 HD1 HIS A 159 30.774 -13.856 -14.871 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.370 -12.164 -11.300 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.407 -15.418 -12.962 1.00 0.00 H new ATOM 310 N LYS A 160 31.524 -11.370 -16.597 1.00 0.00 N ATOM 311 CA LYS A 160 32.587 -12.014 -17.352 1.00 0.00 C ATOM 312 C LYS A 160 33.807 -11.098 -17.426 1.00 0.00 C ATOM 313 O LYS A 160 34.938 -11.565 -17.320 1.00 0.00 O ATOM 314 CB LYS A 160 32.081 -12.359 -18.758 1.00 0.00 C ATOM 315 CG LYS A 160 31.362 -13.710 -18.732 1.00 0.00 C ATOM 316 CD LYS A 160 32.394 -14.840 -18.822 1.00 0.00 C ATOM 317 CE LYS A 160 31.774 -16.145 -18.325 1.00 0.00 C ATOM 318 NZ LYS A 160 32.734 -17.256 -18.426 1.00 0.00 N ATOM 0 H LYS A 160 30.711 -11.104 -17.153 1.00 0.00 H new ATOM 0 HA LYS A 160 32.882 -12.935 -16.849 1.00 0.00 H new ATOM 0 HB2 LYS A 160 31.403 -11.582 -19.111 1.00 0.00 H new ATOM 0 HB3 LYS A 160 32.917 -12.395 -19.457 1.00 0.00 H new ATOM 0 HG2 LYS A 160 30.780 -13.807 -17.815 1.00 0.00 H new ATOM 0 HG3 LYS A 160 30.660 -13.777 -19.564 1.00 0.00 H new ATOM 0 HD2 LYS A 160 32.732 -14.956 -19.852 1.00 0.00 H new ATOM 0 HD3 LYS A 160 33.272 -14.592 -18.225 1.00 0.00 H new ATOM 0 HE2 LYS A 160 31.454 -16.029 -17.289 1.00 0.00 H new ATOM 0 HE3 LYS A 160 30.883 -16.375 -18.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 32.289 -18.131 -18.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 33.019 -17.379 -19.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 33.572 -17.044 -17.848 1.00 0.00 H new ATOM 332 N ARG A 161 33.574 -9.797 -17.611 1.00 0.00 N ATOM 333 CA ARG A 161 34.651 -8.826 -17.722 1.00 0.00 C ATOM 334 C ARG A 161 35.332 -8.606 -16.366 1.00 0.00 C ATOM 335 O ARG A 161 36.556 -8.510 -16.303 1.00 0.00 O ATOM 336 CB ARG A 161 34.085 -7.506 -18.254 1.00 0.00 C ATOM 337 CG ARG A 161 33.699 -7.663 -19.730 1.00 0.00 C ATOM 338 CD ARG A 161 32.949 -6.414 -20.206 1.00 0.00 C ATOM 339 NE ARG A 161 33.794 -5.214 -20.113 1.00 0.00 N ATOM 340 CZ ARG A 161 34.732 -4.894 -21.025 1.00 0.00 C ATOM 341 NH1 ARG A 161 34.963 -5.698 -22.073 1.00 0.00 N ATOM 342 NH2 ARG A 161 35.439 -3.765 -20.885 1.00 0.00 N ATOM 0 H ARG A 161 32.640 -9.395 -17.687 1.00 0.00 H new ATOM 0 HA ARG A 161 35.402 -9.207 -18.414 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.213 -7.212 -17.670 1.00 0.00 H new ATOM 0 HB3 ARG A 161 34.824 -6.712 -18.144 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.593 -7.814 -20.335 1.00 0.00 H new ATOM 0 HG3 ARG A 161 33.073 -8.546 -19.860 1.00 0.00 H new ATOM 0 HD2 ARG A 161 32.624 -6.553 -21.237 1.00 0.00 H new ATOM 0 HD3 ARG A 161 32.050 -6.276 -19.605 1.00 0.00 H new ATOM 0 HE ARG A 161 33.663 -4.591 -19.316 1.00 0.00 H new ATOM 0 HH11 ARG A 161 34.427 -6.559 -22.184 1.00 0.00 H new ATOM 0 HH12 ARG A 161 35.675 -5.449 -22.760 1.00 0.00 H new ATOM 0 HH21 ARG A 161 35.266 -3.150 -20.089 1.00 0.00 H new ATOM 0 HH22 ARG A 161 36.150 -3.520 -21.574 1.00 0.00 H new ATOM 356 N LEU A 162 34.538 -8.511 -15.289 1.00 0.00 N ATOM 357 CA LEU A 162 35.065 -8.238 -13.954 1.00 0.00 C ATOM 358 C LEU A 162 35.111 -9.515 -13.109 1.00 0.00 C ATOM 359 O LEU A 162 36.192 -9.998 -12.774 1.00 0.00 O ATOM 360 CB LEU A 162 34.185 -7.174 -13.275 1.00 0.00 C ATOM 361 CG LEU A 162 34.165 -5.876 -14.101 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.101 -4.936 -13.533 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.533 -5.188 -14.039 1.00 0.00 C ATOM 0 H LEU A 162 33.524 -8.621 -15.323 1.00 0.00 H new ATOM 0 HA LEU A 162 36.086 -7.866 -14.043 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.170 -7.554 -13.161 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.563 -6.968 -12.274 1.00 0.00 H new ATOM 0 HG LEU A 162 33.935 -6.117 -15.139 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.082 -4.014 -14.114 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.125 -5.418 -13.585 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.337 -4.705 -12.494 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.506 -4.271 -14.627 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.773 -4.948 -13.003 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.295 -5.855 -14.442 1.00 0.00 H new ATOM 375 N GLY A 163 33.935 -10.047 -12.755 1.00 0.00 N ATOM 376 CA GLY A 163 33.823 -11.231 -11.910 1.00 0.00 C ATOM 377 C GLY A 163 32.624 -11.064 -10.981 1.00 0.00 C ATOM 378 O GLY A 163 31.665 -10.380 -11.332 1.00 0.00 O ATOM 0 H GLY A 163 33.036 -9.665 -13.049 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.702 -12.123 -12.525 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.735 -11.366 -11.328 1.00 0.00 H new ATOM 382 N ASN A 164 32.679 -11.671 -9.787 1.00 0.00 N ATOM 383 CA ASN A 164 31.595 -11.547 -8.811 1.00 0.00 C ATOM 384 C ASN A 164 31.750 -10.246 -8.017 1.00 0.00 C ATOM 385 O ASN A 164 31.309 -10.168 -6.871 1.00 0.00 O ATOM 386 CB ASN A 164 31.599 -12.749 -7.855 1.00 0.00 C ATOM 387 CG ASN A 164 31.628 -14.074 -8.616 1.00 0.00 C ATOM 388 OD1 ASN A 164 32.686 -14.524 -9.055 1.00 0.00 O ATOM 389 ND2 ASN A 164 30.464 -14.704 -8.768 1.00 0.00 N ATOM 0 H ASN A 164 33.460 -12.249 -9.478 1.00 0.00 H new ATOM 0 HA ASN A 164 30.645 -11.527 -9.345 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.466 -12.688 -7.197 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.714 -12.713 -7.220 1.00 0.00 H new ATOM 0 HD21 ASN A 164 30.427 -15.594 -9.264 1.00 0.00 H new ATOM 0 HD22 ASN A 164 29.610 -14.296 -8.388 1.00 0.00 H new ATOM 396 N ARG A 165 32.375 -9.222 -8.621 1.00 0.00 N ATOM 397 CA ARG A 165 32.565 -7.944 -7.962 1.00 0.00 C ATOM 398 C ARG A 165 31.274 -7.148 -8.055 1.00 0.00 C ATOM 399 O ARG A 165 31.189 -6.177 -8.808 1.00 0.00 O ATOM 400 CB ARG A 165 33.714 -7.169 -8.616 1.00 0.00 C ATOM 401 CG ARG A 165 35.044 -7.916 -8.442 1.00 0.00 C ATOM 402 CD ARG A 165 35.283 -8.856 -9.630 1.00 0.00 C ATOM 403 NE ARG A 165 36.716 -9.011 -9.909 1.00 0.00 N ATOM 404 CZ ARG A 165 37.446 -8.090 -10.571 1.00 0.00 C ATOM 405 NH1 ARG A 165 36.939 -6.878 -10.842 1.00 0.00 N ATOM 406 NH2 ARG A 165 38.692 -8.390 -10.961 1.00 0.00 N ATOM 0 H ARG A 165 32.754 -9.267 -9.567 1.00 0.00 H new ATOM 0 HA ARG A 165 32.821 -8.109 -6.915 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.507 -7.029 -9.677 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.788 -6.176 -8.172 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.863 -7.201 -8.364 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.030 -8.487 -7.514 1.00 0.00 H new ATOM 0 HD2 ARG A 165 34.844 -9.831 -9.419 1.00 0.00 H new ATOM 0 HD3 ARG A 165 34.779 -8.464 -10.513 1.00 0.00 H new ATOM 0 HE ARG A 165 37.183 -9.858 -9.586 1.00 0.00 H new ATOM 0 HH11 ARG A 165 35.991 -6.644 -10.547 1.00 0.00 H new ATOM 0 HH12 ARG A 165 37.501 -6.190 -11.343 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.083 -9.310 -10.757 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.250 -7.699 -11.462 1.00 0.00 H new ATOM 420 N TRP A 166 30.265 -7.557 -7.288 1.00 0.00 N ATOM 421 CA TRP A 166 28.986 -6.874 -7.284 1.00 0.00 C ATOM 422 C TRP A 166 29.171 -5.437 -6.813 1.00 0.00 C ATOM 423 O TRP A 166 28.341 -4.600 -7.088 1.00 0.00 O ATOM 424 CB TRP A 166 27.999 -7.614 -6.392 1.00 0.00 C ATOM 425 CG TRP A 166 28.107 -9.099 -6.453 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.521 -9.870 -5.451 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.830 -10.011 -7.558 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.525 -11.194 -5.809 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.104 -11.344 -7.117 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.379 -9.860 -8.890 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.941 -12.456 -7.943 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.218 -10.983 -9.731 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.508 -12.275 -9.259 1.00 0.00 C ATOM 0 H TRP A 166 30.315 -8.361 -6.662 1.00 0.00 H new ATOM 0 HA TRP A 166 28.583 -6.858 -8.297 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.149 -7.293 -5.361 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.986 -7.324 -6.672 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.816 -9.501 -4.480 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.800 -11.961 -5.196 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.155 -8.874 -9.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.148 -13.448 -7.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.869 -10.848 -10.744 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.396 -13.127 -9.913 1.00 0.00 H new ATOM 444 N ALA A 167 30.271 -5.148 -6.111 1.00 0.00 N ATOM 445 CA ALA A 167 30.556 -3.796 -5.668 1.00 0.00 C ATOM 446 C ALA A 167 30.671 -2.874 -6.889 1.00 0.00 C ATOM 447 O ALA A 167 30.300 -1.707 -6.820 1.00 0.00 O ATOM 448 CB ALA A 167 31.853 -3.789 -4.860 1.00 0.00 C ATOM 0 H ALA A 167 30.973 -5.837 -5.842 1.00 0.00 H new ATOM 0 HA ALA A 167 29.748 -3.434 -5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 167 32.068 -2.774 -4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.745 -4.441 -3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.672 -4.148 -5.483 1.00 0.00 H new ATOM 454 N GLU A 168 31.185 -3.413 -8.008 1.00 0.00 N ATOM 455 CA GLU A 168 31.343 -2.655 -9.240 1.00 0.00 C ATOM 456 C GLU A 168 30.027 -2.656 -10.025 1.00 0.00 C ATOM 457 O GLU A 168 29.530 -1.601 -10.411 1.00 0.00 O ATOM 458 CB GLU A 168 32.466 -3.279 -10.084 1.00 0.00 C ATOM 459 CG GLU A 168 33.794 -3.238 -9.318 1.00 0.00 C ATOM 460 CD GLU A 168 34.924 -3.827 -10.160 1.00 0.00 C ATOM 461 OE1 GLU A 168 35.024 -5.076 -10.189 1.00 0.00 O ATOM 462 OE2 GLU A 168 35.666 -3.022 -10.759 1.00 0.00 O ATOM 0 H GLU A 168 31.498 -4.382 -8.074 1.00 0.00 H new ATOM 0 HA GLU A 168 31.606 -1.624 -9.001 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.213 -4.310 -10.332 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.565 -2.739 -11.026 1.00 0.00 H new ATOM 0 HG2 GLU A 168 34.033 -2.209 -9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.699 -3.796 -8.387 1.00 0.00 H new ATOM 469 N ILE A 169 29.472 -3.852 -10.262 1.00 0.00 N ATOM 470 CA ILE A 169 28.235 -4.007 -11.027 1.00 0.00 C ATOM 471 C ILE A 169 27.099 -3.209 -10.372 1.00 0.00 C ATOM 472 O ILE A 169 26.333 -2.535 -11.059 1.00 0.00 O ATOM 473 CB ILE A 169 27.876 -5.502 -11.111 1.00 0.00 C ATOM 474 CG1 ILE A 169 28.991 -6.274 -11.842 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.559 -5.677 -11.876 1.00 0.00 C ATOM 476 CD1 ILE A 169 29.054 -7.714 -11.325 1.00 0.00 C ATOM 0 H ILE A 169 29.867 -4.732 -9.930 1.00 0.00 H new ATOM 0 HA ILE A 169 28.379 -3.618 -12.035 1.00 0.00 H new ATOM 0 HB ILE A 169 27.768 -5.894 -10.099 1.00 0.00 H new ATOM 0 HG12 ILE A 169 28.803 -6.272 -12.916 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.950 -5.780 -11.685 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.309 -6.736 -11.933 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.763 -5.144 -11.356 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.667 -5.275 -12.883 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.845 -8.254 -11.846 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.264 -7.708 -10.255 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.099 -8.207 -11.505 1.00 0.00 H new ATOM 488 N ALA A 170 26.998 -3.296 -9.044 1.00 0.00 N ATOM 489 CA ALA A 170 25.959 -2.613 -8.283 1.00 0.00 C ATOM 490 C ALA A 170 26.080 -1.095 -8.441 1.00 0.00 C ATOM 491 O ALA A 170 25.074 -0.395 -8.409 1.00 0.00 O ATOM 492 CB ALA A 170 26.060 -3.024 -6.807 1.00 0.00 C ATOM 0 H ALA A 170 27.637 -3.844 -8.468 1.00 0.00 H new ATOM 0 HA ALA A 170 24.981 -2.904 -8.666 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.285 -2.516 -6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.927 -4.102 -6.720 1.00 0.00 H new ATOM 0 HB3 ALA A 170 27.040 -2.746 -6.418 1.00 0.00 H new ATOM 498 N LYS A 171 27.309 -0.587 -8.616 1.00 0.00 N ATOM 499 CA LYS A 171 27.529 0.843 -8.798 1.00 0.00 C ATOM 500 C LYS A 171 27.192 1.239 -10.236 1.00 0.00 C ATOM 501 O LYS A 171 26.629 2.307 -10.466 1.00 0.00 O ATOM 502 CB LYS A 171 28.984 1.189 -8.466 1.00 0.00 C ATOM 503 CG LYS A 171 29.172 1.219 -6.948 1.00 0.00 C ATOM 504 CD LYS A 171 30.650 1.457 -6.619 1.00 0.00 C ATOM 505 CE LYS A 171 30.891 1.269 -5.118 1.00 0.00 C ATOM 506 NZ LYS A 171 30.144 2.263 -4.326 1.00 0.00 N ATOM 0 H LYS A 171 28.160 -1.149 -8.634 1.00 0.00 H new ATOM 0 HA LYS A 171 26.878 1.401 -8.124 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.654 0.453 -8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.245 2.157 -8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.560 2.008 -6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 171 28.838 0.278 -6.511 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.273 0.764 -7.185 1.00 0.00 H new ATOM 0 HD3 LYS A 171 30.940 2.464 -6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 171 30.589 0.264 -4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 171 31.956 1.357 -4.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 30.418 2.187 -3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 30.362 3.219 -4.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 29.124 2.085 -4.419 1.00 0.00 H new ATOM 520 N LEU A 172 27.538 0.377 -11.202 1.00 0.00 N ATOM 521 CA LEU A 172 27.255 0.639 -12.607 1.00 0.00 C ATOM 522 C LEU A 172 25.742 0.706 -12.824 1.00 0.00 C ATOM 523 O LEU A 172 25.258 1.574 -13.548 1.00 0.00 O ATOM 524 CB LEU A 172 27.883 -0.461 -13.475 1.00 0.00 C ATOM 525 CG LEU A 172 29.409 -0.277 -13.544 1.00 0.00 C ATOM 526 CD1 LEU A 172 30.063 -1.593 -13.973 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.759 0.814 -14.563 1.00 0.00 C ATOM 0 H LEU A 172 28.015 -0.508 -11.029 1.00 0.00 H new ATOM 0 HA LEU A 172 27.688 1.597 -12.896 1.00 0.00 H new ATOM 0 HB2 LEU A 172 27.646 -1.441 -13.061 1.00 0.00 H new ATOM 0 HB3 LEU A 172 27.460 -0.428 -14.479 1.00 0.00 H new ATOM 0 HG LEU A 172 29.777 0.016 -12.560 1.00 0.00 H new ATOM 0 HD11 LEU A 172 31.144 -1.463 -14.022 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.824 -2.371 -13.249 1.00 0.00 H new ATOM 0 HD13 LEU A 172 29.688 -1.883 -14.954 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.841 0.938 -14.606 1.00 0.00 H new ATOM 0 HD22 LEU A 172 29.388 0.526 -15.546 1.00 0.00 H new ATOM 0 HD23 LEU A 172 29.298 1.755 -14.262 1.00 0.00 H new ATOM 539 N LEU A 173 24.997 -0.209 -12.189 1.00 0.00 N ATOM 540 CA LEU A 173 23.546 -0.228 -12.294 1.00 0.00 C ATOM 541 C LEU A 173 22.966 0.839 -11.354 1.00 0.00 C ATOM 542 O LEU A 173 23.582 1.155 -10.340 1.00 0.00 O ATOM 543 CB LEU A 173 23.029 -1.625 -11.928 1.00 0.00 C ATOM 544 CG LEU A 173 23.461 -2.656 -12.985 1.00 0.00 C ATOM 545 CD1 LEU A 173 23.147 -4.064 -12.474 1.00 0.00 C ATOM 546 CD2 LEU A 173 22.708 -2.418 -14.299 1.00 0.00 C ATOM 0 H LEU A 173 25.384 -0.944 -11.598 1.00 0.00 H new ATOM 0 HA LEU A 173 23.234 -0.004 -13.314 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.413 -1.916 -10.950 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.942 -1.608 -11.852 1.00 0.00 H new ATOM 0 HG LEU A 173 24.531 -2.552 -13.164 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.451 -4.798 -13.220 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.689 -4.244 -11.546 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.076 -4.155 -12.292 1.00 0.00 H new ATOM 0 HD21 LEU A 173 23.024 -3.155 -15.038 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.636 -2.513 -14.126 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.928 -1.416 -14.668 1.00 0.00 H new ATOM 558 N PRO A 174 21.789 1.412 -11.688 1.00 0.00 N ATOM 559 CA PRO A 174 21.182 2.467 -10.897 1.00 0.00 C ATOM 560 C PRO A 174 20.653 1.931 -9.553 1.00 0.00 C ATOM 561 O PRO A 174 21.397 1.873 -8.577 1.00 0.00 O ATOM 562 CB PRO A 174 20.067 3.039 -11.784 1.00 0.00 C ATOM 563 CG PRO A 174 19.803 1.988 -12.866 1.00 0.00 C ATOM 564 CD PRO A 174 21.022 1.062 -12.871 1.00 0.00 C ATOM 0 HA PRO A 174 21.899 3.240 -10.621 1.00 0.00 H new ATOM 0 HB2 PRO A 174 19.166 3.233 -11.201 1.00 0.00 H new ATOM 0 HB3 PRO A 174 20.370 3.987 -12.228 1.00 0.00 H new ATOM 0 HG2 PRO A 174 18.892 1.430 -12.652 1.00 0.00 H new ATOM 0 HG3 PRO A 174 19.668 2.458 -13.840 1.00 0.00 H new ATOM 0 HD2 PRO A 174 20.718 0.015 -12.845 1.00 0.00 H new ATOM 0 HD3 PRO A 174 21.614 1.200 -13.776 1.00 0.00 H new ATOM 572 N GLY A 175 19.364 1.554 -9.497 1.00 0.00 N ATOM 573 CA GLY A 175 18.739 1.097 -8.261 1.00 0.00 C ATOM 574 C GLY A 175 18.865 -0.414 -8.101 1.00 0.00 C ATOM 575 O GLY A 175 17.859 -1.094 -7.907 1.00 0.00 O ATOM 0 H GLY A 175 18.738 1.560 -10.303 1.00 0.00 H new ATOM 0 HA2 GLY A 175 19.204 1.595 -7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.686 1.378 -8.258 1.00 0.00 H new ATOM 579 N ARG A 176 20.096 -0.936 -8.175 1.00 0.00 N ATOM 580 CA ARG A 176 20.348 -2.366 -8.025 1.00 0.00 C ATOM 581 C ARG A 176 21.458 -2.573 -6.993 1.00 0.00 C ATOM 582 O ARG A 176 22.635 -2.408 -7.303 1.00 0.00 O ATOM 583 CB ARG A 176 20.752 -2.966 -9.377 1.00 0.00 C ATOM 584 CG ARG A 176 19.625 -2.806 -10.414 1.00 0.00 C ATOM 585 CD ARG A 176 18.390 -3.613 -9.993 1.00 0.00 C ATOM 586 NE ARG A 176 17.621 -4.051 -11.168 1.00 0.00 N ATOM 587 CZ ARG A 176 16.514 -4.810 -11.081 1.00 0.00 C ATOM 588 NH1 ARG A 176 16.043 -5.179 -9.882 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.883 -5.197 -12.193 1.00 0.00 N ATOM 0 H ARG A 176 20.936 -0.380 -8.339 1.00 0.00 H new ATOM 0 HA ARG A 176 19.443 -2.868 -7.682 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.656 -2.477 -9.740 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.989 -4.023 -9.253 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.362 -1.753 -10.515 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.971 -3.143 -11.391 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.700 -4.482 -9.412 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.757 -3.006 -9.346 1.00 0.00 H new ATOM 0 HE ARG A 176 17.943 -3.765 -12.093 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.524 -4.884 -9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 176 15.203 -5.755 -9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 176 16.241 -4.917 -13.106 1.00 0.00 H new ATOM 0 HH22 ARG A 176 15.043 -5.773 -12.129 1.00 0.00 H new ATOM 603 N THR A 177 21.076 -2.933 -5.762 1.00 0.00 N ATOM 604 CA THR A 177 22.030 -3.144 -4.681 1.00 0.00 C ATOM 605 C THR A 177 22.827 -4.431 -4.909 1.00 0.00 C ATOM 606 O THR A 177 22.358 -5.347 -5.588 1.00 0.00 O ATOM 607 CB THR A 177 21.270 -3.215 -3.352 1.00 0.00 C ATOM 608 OG1 THR A 177 20.185 -4.111 -3.478 1.00 0.00 O ATOM 609 CG2 THR A 177 20.742 -1.828 -2.981 1.00 0.00 C ATOM 0 H THR A 177 20.103 -3.084 -5.494 1.00 0.00 H new ATOM 0 HA THR A 177 22.735 -2.313 -4.655 1.00 0.00 H new ATOM 0 HB THR A 177 21.945 -3.564 -2.571 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.699 -4.158 -2.628 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.203 -1.885 -2.035 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.578 -1.135 -2.881 1.00 0.00 H new ATOM 0 HG23 THR A 177 20.069 -1.474 -3.762 1.00 0.00 H new ATOM 617 N ASP A 178 24.035 -4.495 -4.326 1.00 0.00 N ATOM 618 CA ASP A 178 24.904 -5.660 -4.442 1.00 0.00 C ATOM 619 C ASP A 178 24.178 -6.921 -3.970 1.00 0.00 C ATOM 620 O ASP A 178 24.369 -7.991 -4.536 1.00 0.00 O ATOM 621 CB ASP A 178 26.171 -5.429 -3.607 1.00 0.00 C ATOM 622 CG ASP A 178 25.923 -5.747 -2.135 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.145 -4.991 -1.512 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.507 -6.748 -1.665 1.00 0.00 O ATOM 0 H ASP A 178 24.429 -3.740 -3.765 1.00 0.00 H new ATOM 0 HA ASP A 178 25.179 -5.800 -5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.979 -6.054 -3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.494 -4.393 -3.709 1.00 0.00 H new ATOM 629 N ASN A 179 23.353 -6.790 -2.926 1.00 0.00 N ATOM 630 CA ASN A 179 22.613 -7.913 -2.375 1.00 0.00 C ATOM 631 C ASN A 179 21.613 -8.436 -3.402 1.00 0.00 C ATOM 632 O ASN A 179 21.517 -9.643 -3.614 1.00 0.00 O ATOM 633 CB ASN A 179 21.895 -7.471 -1.095 1.00 0.00 C ATOM 634 CG ASN A 179 22.800 -7.628 0.125 1.00 0.00 C ATOM 635 OD1 ASN A 179 22.545 -8.471 0.980 1.00 0.00 O ATOM 636 ND2 ASN A 179 23.858 -6.819 0.208 1.00 0.00 N ATOM 0 H ASN A 179 23.185 -5.905 -2.447 1.00 0.00 H new ATOM 0 HA ASN A 179 23.304 -8.720 -2.131 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.584 -6.431 -1.190 1.00 0.00 H new ATOM 0 HB3 ASN A 179 20.990 -8.063 -0.959 1.00 0.00 H new ATOM 0 HD21 ASN A 179 24.491 -6.888 1.005 1.00 0.00 H new ATOM 0 HD22 ASN A 179 24.033 -6.132 -0.525 1.00 0.00 H new ATOM 643 N ALA A 180 20.869 -7.525 -4.039 1.00 0.00 N ATOM 644 CA ALA A 180 19.870 -7.896 -5.030 1.00 0.00 C ATOM 645 C ALA A 180 20.528 -8.621 -6.204 1.00 0.00 C ATOM 646 O ALA A 180 20.061 -9.679 -6.613 1.00 0.00 O ATOM 647 CB ALA A 180 19.140 -6.641 -5.512 1.00 0.00 C ATOM 0 H ALA A 180 20.946 -6.520 -3.880 1.00 0.00 H new ATOM 0 HA ALA A 180 19.148 -8.575 -4.576 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.392 -6.918 -6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.651 -6.157 -4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.857 -5.952 -5.959 1.00 0.00 H new ATOM 653 N ILE A 181 21.610 -8.045 -6.744 1.00 0.00 N ATOM 654 CA ILE A 181 22.315 -8.629 -7.883 1.00 0.00 C ATOM 655 C ILE A 181 22.918 -9.979 -7.494 1.00 0.00 C ATOM 656 O ILE A 181 22.753 -10.961 -8.209 1.00 0.00 O ATOM 657 CB ILE A 181 23.414 -7.662 -8.350 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.777 -6.371 -8.880 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.236 -8.315 -9.468 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.764 -5.215 -8.742 1.00 0.00 C ATOM 0 H ILE A 181 22.014 -7.172 -6.406 1.00 0.00 H new ATOM 0 HA ILE A 181 21.613 -8.792 -8.700 1.00 0.00 H new ATOM 0 HB ILE A 181 24.064 -7.428 -7.507 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.493 -6.497 -9.925 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.864 -6.151 -8.326 1.00 0.00 H new ATOM 0 HG21 ILE A 181 25.014 -7.627 -9.797 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.695 -9.230 -9.095 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.583 -8.553 -10.308 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.308 -4.300 -9.120 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.026 -5.083 -7.692 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.664 -5.435 -9.316 1.00 0.00 H new ATOM 672 N LYS A 182 23.619 -10.016 -6.359 1.00 0.00 N ATOM 673 CA LYS A 182 24.264 -11.225 -5.868 1.00 0.00 C ATOM 674 C LYS A 182 23.238 -12.351 -5.719 1.00 0.00 C ATOM 675 O LYS A 182 23.453 -13.458 -6.217 1.00 0.00 O ATOM 676 CB LYS A 182 24.933 -10.893 -4.531 1.00 0.00 C ATOM 677 CG LYS A 182 25.482 -12.154 -3.863 1.00 0.00 C ATOM 678 CD LYS A 182 26.504 -11.772 -2.777 1.00 0.00 C ATOM 679 CE LYS A 182 25.908 -10.743 -1.797 1.00 0.00 C ATOM 680 NZ LYS A 182 26.144 -9.355 -2.255 1.00 0.00 N ATOM 0 H LYS A 182 23.753 -9.204 -5.757 1.00 0.00 H new ATOM 0 HA LYS A 182 25.018 -11.573 -6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.743 -10.181 -4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.213 -10.412 -3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.666 -12.726 -3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 182 25.953 -12.795 -4.608 1.00 0.00 H new ATOM 0 HD2 LYS A 182 26.811 -12.664 -2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 182 27.399 -11.360 -3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 182 24.837 -10.916 -1.694 1.00 0.00 H new ATOM 0 HE3 LYS A 182 26.350 -10.881 -0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 26.317 -8.743 -1.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 26.972 -9.333 -2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 25.309 -9.013 -2.771 1.00 0.00 H new ATOM 694 N ASN A 183 22.125 -12.068 -5.036 1.00 0.00 N ATOM 695 CA ASN A 183 21.072 -13.050 -4.829 1.00 0.00 C ATOM 696 C ASN A 183 20.495 -13.484 -6.175 1.00 0.00 C ATOM 697 O ASN A 183 20.385 -14.677 -6.448 1.00 0.00 O ATOM 698 CB ASN A 183 19.980 -12.441 -3.947 1.00 0.00 C ATOM 699 CG ASN A 183 18.772 -13.368 -3.858 1.00 0.00 C ATOM 700 OD1 ASN A 183 18.789 -14.342 -3.113 1.00 0.00 O ATOM 701 ND2 ASN A 183 17.723 -13.062 -4.623 1.00 0.00 N ATOM 0 H ASN A 183 21.935 -11.158 -4.617 1.00 0.00 H new ATOM 0 HA ASN A 183 21.481 -13.929 -4.331 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.375 -12.255 -2.948 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.674 -11.477 -4.353 1.00 0.00 H new ATOM 0 HD21 ASN A 183 16.889 -13.649 -4.603 1.00 0.00 H new ATOM 0 HD22 ASN A 183 17.755 -12.241 -5.227 1.00 0.00 H new ATOM 708 N HIS A 184 20.126 -12.507 -7.010 1.00 0.00 N ATOM 709 CA HIS A 184 19.547 -12.769 -8.320 1.00 0.00 C ATOM 710 C HIS A 184 20.454 -13.686 -9.135 1.00 0.00 C ATOM 711 O HIS A 184 19.973 -14.625 -9.759 1.00 0.00 O ATOM 712 CB HIS A 184 19.334 -11.436 -9.038 1.00 0.00 C ATOM 713 CG HIS A 184 19.094 -11.583 -10.519 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.294 -12.581 -11.067 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.542 -10.862 -11.594 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.311 -12.400 -12.403 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.056 -11.364 -12.789 1.00 0.00 N ATOM 0 H HIS A 184 20.223 -11.515 -6.792 1.00 0.00 H new ATOM 0 HA HIS A 184 18.589 -13.275 -8.203 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.484 -10.922 -8.589 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.208 -10.804 -8.880 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.195 -10.005 -11.518 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.773 -13.033 -13.093 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.227 -11.024 -13.735 1.00 0.00 H new ATOM 725 N TRP A 185 21.760 -13.416 -9.136 1.00 0.00 N ATOM 726 CA TRP A 185 22.702 -14.218 -9.888 1.00 0.00 C ATOM 727 C TRP A 185 22.652 -15.668 -9.416 1.00 0.00 C ATOM 728 O TRP A 185 22.319 -16.553 -10.190 1.00 0.00 O ATOM 729 CB TRP A 185 24.113 -13.644 -9.734 1.00 0.00 C ATOM 730 CG TRP A 185 25.164 -14.386 -10.500 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.922 -15.386 -10.024 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.591 -14.208 -11.883 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.784 -15.853 -10.987 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.623 -15.157 -12.166 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.217 -13.346 -12.933 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.242 -15.243 -13.414 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.835 -13.430 -14.196 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.848 -14.376 -14.435 1.00 0.00 C ATOM 0 H TRP A 185 22.182 -12.644 -8.620 1.00 0.00 H new ATOM 0 HA TRP A 185 22.431 -14.194 -10.944 1.00 0.00 H new ATOM 0 HB2 TRP A 185 24.108 -12.604 -10.060 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.380 -13.645 -8.677 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.862 -15.773 -9.017 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.452 -16.611 -10.848 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.445 -12.610 -12.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 28.018 -15.973 -13.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.528 -12.762 -14.988 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.320 -14.432 -15.405 1.00 0.00 H new ATOM 749 N ASN A 186 22.988 -15.906 -8.146 1.00 0.00 N ATOM 750 CA ASN A 186 23.030 -17.257 -7.593 1.00 0.00 C ATOM 751 C ASN A 186 21.671 -17.956 -7.712 1.00 0.00 C ATOM 752 O ASN A 186 21.617 -19.181 -7.816 1.00 0.00 O ATOM 753 CB ASN A 186 23.471 -17.190 -6.130 1.00 0.00 C ATOM 754 CG ASN A 186 24.965 -16.900 -6.029 1.00 0.00 C ATOM 755 OD1 ASN A 186 25.776 -17.821 -6.008 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.329 -15.619 -5.969 1.00 0.00 N ATOM 0 H ASN A 186 23.236 -15.174 -7.480 1.00 0.00 H new ATOM 0 HA ASN A 186 23.748 -17.844 -8.166 1.00 0.00 H new ATOM 0 HB2 ASN A 186 22.909 -16.413 -5.611 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.244 -18.133 -5.633 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.316 -15.372 -5.903 1.00 0.00 H new ATOM 0 HD22 ASN A 186 24.620 -14.886 -5.990 1.00 0.00 H new ATOM 763 N SER A 187 20.578 -17.192 -7.691 1.00 0.00 N ATOM 764 CA SER A 187 19.243 -17.760 -7.771 1.00 0.00 C ATOM 765 C SER A 187 18.908 -18.173 -9.209 1.00 0.00 C ATOM 766 O SER A 187 18.551 -19.324 -9.454 1.00 0.00 O ATOM 767 CB SER A 187 18.231 -16.731 -7.256 1.00 0.00 C ATOM 768 OG SER A 187 16.928 -17.272 -7.317 1.00 0.00 O ATOM 0 H SER A 187 20.598 -16.175 -7.619 1.00 0.00 H new ATOM 0 HA SER A 187 19.198 -18.657 -7.153 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.472 -16.452 -6.230 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.286 -15.822 -7.855 1.00 0.00 H new ATOM 0 HG SER A 187 16.284 -16.612 -6.986 1.00 0.00 H new ATOM 774 N THR A 188 19.003 -17.226 -10.148 1.00 0.00 N ATOM 775 CA THR A 188 18.622 -17.457 -11.535 1.00 0.00 C ATOM 776 C THR A 188 19.784 -18.017 -12.365 1.00 0.00 C ATOM 777 O THR A 188 19.680 -19.117 -12.904 1.00 0.00 O ATOM 778 CB THR A 188 18.124 -16.129 -12.131 1.00 0.00 C ATOM 779 OG1 THR A 188 17.194 -15.534 -11.247 1.00 0.00 O ATOM 780 CG2 THR A 188 17.448 -16.383 -13.480 1.00 0.00 C ATOM 0 H THR A 188 19.345 -16.283 -9.964 1.00 0.00 H new ATOM 0 HA THR A 188 17.830 -18.205 -11.562 1.00 0.00 H new ATOM 0 HB THR A 188 18.974 -15.462 -12.274 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.433 -14.594 -11.105 1.00 0.00 H new ATOM 0 HG21 THR A 188 17.098 -15.438 -13.895 1.00 0.00 H new ATOM 0 HG22 THR A 188 18.163 -16.838 -14.165 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.600 -17.054 -13.342 1.00 0.00 H new ATOM 788 N MET A 189 20.874 -17.250 -12.491 1.00 0.00 N ATOM 789 CA MET A 189 21.998 -17.629 -13.341 1.00 0.00 C ATOM 790 C MET A 189 22.954 -18.576 -12.608 1.00 0.00 C ATOM 791 O MET A 189 22.872 -19.788 -12.793 1.00 0.00 O ATOM 792 CB MET A 189 22.718 -16.358 -13.806 1.00 0.00 C ATOM 793 CG MET A 189 21.797 -15.558 -14.738 1.00 0.00 C ATOM 794 SD MET A 189 22.506 -13.992 -15.301 1.00 0.00 S ATOM 795 CE MET A 189 22.048 -12.964 -13.888 1.00 0.00 C ATOM 0 H MET A 189 20.997 -16.359 -12.010 1.00 0.00 H new ATOM 0 HA MET A 189 21.627 -18.170 -14.211 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.998 -15.751 -12.945 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.640 -16.619 -14.325 1.00 0.00 H new ATOM 0 HG2 MET A 189 21.556 -16.170 -15.607 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.859 -15.356 -14.220 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.522 -11.987 -13.980 1.00 0.00 H new ATOM 0 HE2 MET A 189 20.965 -12.841 -13.863 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.380 -13.443 -12.967 1.00 0.00 H new ATOM 805 N ARG A 190 23.863 -18.014 -11.788 1.00 0.00 N ATOM 806 CA ARG A 190 24.858 -18.781 -11.032 1.00 0.00 C ATOM 807 C ARG A 190 25.993 -19.227 -11.955 1.00 0.00 C ATOM 808 O ARG A 190 27.158 -18.923 -11.696 1.00 0.00 O ATOM 809 CB ARG A 190 24.202 -19.988 -10.343 1.00 0.00 C ATOM 810 CG ARG A 190 25.100 -20.485 -9.203 1.00 0.00 C ATOM 811 CD ARG A 190 24.478 -21.730 -8.564 1.00 0.00 C ATOM 812 NE ARG A 190 23.136 -21.434 -8.052 1.00 0.00 N ATOM 813 CZ ARG A 190 22.270 -22.377 -7.651 1.00 0.00 C ATOM 814 NH1 ARG A 190 22.642 -23.664 -7.609 1.00 0.00 N ATOM 815 NH2 ARG A 190 21.030 -22.025 -7.295 1.00 0.00 N ATOM 0 H ARG A 190 23.923 -17.007 -11.634 1.00 0.00 H new ATOM 0 HA ARG A 190 25.278 -18.141 -10.256 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.224 -19.708 -9.952 1.00 0.00 H new ATOM 0 HB3 ARG A 190 24.040 -20.788 -11.066 1.00 0.00 H new ATOM 0 HG2 ARG A 190 26.094 -20.718 -9.585 1.00 0.00 H new ATOM 0 HG3 ARG A 190 25.222 -19.702 -8.455 1.00 0.00 H new ATOM 0 HD2 ARG A 190 24.423 -22.533 -9.299 1.00 0.00 H new ATOM 0 HD3 ARG A 190 25.113 -22.084 -7.752 1.00 0.00 H new ATOM 0 HE ARG A 190 22.845 -20.458 -7.998 1.00 0.00 H new ATOM 0 HH11 ARG A 190 23.588 -23.931 -7.883 1.00 0.00 H new ATOM 0 HH12 ARG A 190 21.979 -24.377 -7.303 1.00 0.00 H new ATOM 0 HH21 ARG A 190 20.748 -21.045 -7.329 1.00 0.00 H new ATOM 0 HH22 ARG A 190 20.366 -22.736 -6.989 1.00 0.00 H new