USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 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 159 HIS : no HE2:sc= -0.633 K(o=-0.66,f=-5.7!) USER MOD Set 1.2: A 164 ASN : amide:sc= -0.0242 X(o=-0.66,f=-0.6) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.00486 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0.946 K(o=0.95,f=-4.5!) USER MOD Single : A 160 LYS NZ :NH3+ 167:sc= -0.0261 (180deg=-0.247) USER MOD Single : A 171 LYS NZ :NH3+ 171:sc= 0.971 (180deg=0.869) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 179 ASN : amide:sc= -0.0526 X(o=-0.053,f=0) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN :FLIP amide:sc= 0.705 F(o=0,f=0.7) USER MOD Single : A 184 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=-0.05) USER MOD Single : A 186 ASN : amide:sc= 0.887 K(o=0.89,f=0) USER MOD Single : A 187 SER OG : rot 80:sc= 1.16 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl -167:sc= -1.45 (180deg=-1.81) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 14.105 -8.466 -12.693 1.00 0.00 N ATOM 89 CA TRP A 147 15.236 -9.031 -13.421 1.00 0.00 C ATOM 90 C TRP A 147 14.786 -9.707 -14.717 1.00 0.00 C ATOM 91 O TRP A 147 14.603 -10.922 -14.766 1.00 0.00 O ATOM 92 CB TRP A 147 15.976 -10.008 -12.515 1.00 0.00 C ATOM 93 CG TRP A 147 16.690 -9.357 -11.375 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.415 -9.531 -10.075 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.799 -8.410 -11.412 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.262 -8.786 -9.288 1.00 0.00 N ATOM 97 CE2 TRP A 147 18.145 -8.065 -10.068 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.553 -7.802 -12.441 1.00 0.00 C ATOM 99 CZ2 TRP A 147 19.175 -7.172 -9.766 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.590 -6.895 -12.139 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.897 -6.581 -10.808 1.00 0.00 C ATOM 0 HA TRP A 147 15.912 -8.225 -13.706 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.263 -10.731 -12.119 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.698 -10.566 -13.112 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.632 -10.171 -9.696 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.241 -8.768 -8.268 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.332 -8.035 -13.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.412 -6.940 -8.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.152 -6.439 -12.940 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.691 -5.883 -10.587 1.00 0.00 H new ATOM 112 N THR A 148 14.623 -8.904 -15.770 1.00 0.00 N ATOM 113 CA THR A 148 14.238 -9.405 -17.080 1.00 0.00 C ATOM 114 C THR A 148 15.469 -9.980 -17.777 1.00 0.00 C ATOM 115 O THR A 148 16.594 -9.684 -17.385 1.00 0.00 O ATOM 116 CB THR A 148 13.638 -8.260 -17.905 1.00 0.00 C ATOM 117 OG1 THR A 148 14.557 -7.187 -17.959 1.00 0.00 O ATOM 118 CG2 THR A 148 12.334 -7.783 -17.261 1.00 0.00 C ATOM 0 H THR A 148 14.755 -7.893 -15.734 1.00 0.00 H new ATOM 0 HA THR A 148 13.490 -10.191 -16.977 1.00 0.00 H new ATOM 0 HB THR A 148 13.430 -8.615 -18.914 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.175 -6.455 -18.488 1.00 0.00 H new ATOM 0 HG21 THR A 148 11.913 -6.970 -17.852 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.624 -8.609 -17.222 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.535 -7.430 -16.250 1.00 0.00 H new ATOM 126 N GLU A 149 15.260 -10.800 -18.816 1.00 0.00 N ATOM 127 CA GLU A 149 16.365 -11.404 -19.551 1.00 0.00 C ATOM 128 C GLU A 149 17.291 -10.311 -20.106 1.00 0.00 C ATOM 129 O GLU A 149 18.500 -10.518 -20.214 1.00 0.00 O ATOM 130 CB GLU A 149 15.816 -12.319 -20.661 1.00 0.00 C ATOM 131 CG GLU A 149 15.072 -11.510 -21.741 1.00 0.00 C ATOM 132 CD GLU A 149 16.018 -10.990 -22.827 1.00 0.00 C ATOM 133 OE1 GLU A 149 17.075 -11.626 -23.030 1.00 0.00 O ATOM 134 OE2 GLU A 149 15.664 -9.961 -23.438 1.00 0.00 O ATOM 0 H GLU A 149 14.335 -11.056 -19.161 1.00 0.00 H new ATOM 0 HA GLU A 149 16.960 -12.022 -18.879 1.00 0.00 H new ATOM 0 HB2 GLU A 149 16.637 -12.871 -21.119 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.140 -13.056 -20.226 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.306 -12.136 -22.198 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.560 -10.669 -21.274 1.00 0.00 H new ATOM 141 N GLU A 150 16.720 -9.144 -20.444 1.00 0.00 N ATOM 142 CA GLU A 150 17.492 -8.023 -20.953 1.00 0.00 C ATOM 143 C GLU A 150 18.488 -7.567 -19.892 1.00 0.00 C ATOM 144 O GLU A 150 19.683 -7.468 -20.162 1.00 0.00 O ATOM 145 CB GLU A 150 16.533 -6.886 -21.343 1.00 0.00 C ATOM 146 CG GLU A 150 17.316 -5.664 -21.853 1.00 0.00 C ATOM 147 CD GLU A 150 18.077 -5.985 -23.135 1.00 0.00 C ATOM 148 OE1 GLU A 150 17.398 -6.285 -24.141 1.00 0.00 O ATOM 149 OE2 GLU A 150 19.325 -5.930 -23.090 1.00 0.00 O ATOM 0 H GLU A 150 15.719 -8.962 -20.370 1.00 0.00 H new ATOM 0 HA GLU A 150 18.053 -8.321 -21.839 1.00 0.00 H new ATOM 0 HB2 GLU A 150 15.846 -7.232 -22.115 1.00 0.00 H new ATOM 0 HB3 GLU A 150 15.928 -6.603 -20.482 1.00 0.00 H new ATOM 0 HG2 GLU A 150 16.627 -4.839 -22.034 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.016 -5.333 -21.086 1.00 0.00 H new ATOM 156 N GLU A 151 17.990 -7.292 -18.684 1.00 0.00 N ATOM 157 CA GLU A 151 18.828 -6.836 -17.591 1.00 0.00 C ATOM 158 C GLU A 151 19.840 -7.922 -17.216 1.00 0.00 C ATOM 159 O GLU A 151 21.018 -7.632 -17.025 1.00 0.00 O ATOM 160 CB GLU A 151 17.936 -6.476 -16.398 1.00 0.00 C ATOM 161 CG GLU A 151 18.676 -5.506 -15.471 1.00 0.00 C ATOM 162 CD GLU A 151 17.807 -5.111 -14.281 1.00 0.00 C ATOM 163 OE1 GLU A 151 16.663 -5.612 -14.213 1.00 0.00 O ATOM 164 OE2 GLU A 151 18.302 -4.314 -13.455 1.00 0.00 O ATOM 0 H GLU A 151 17.002 -7.381 -18.445 1.00 0.00 H new ATOM 0 HA GLU A 151 19.388 -5.951 -17.894 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.009 -6.022 -16.749 1.00 0.00 H new ATOM 0 HB3 GLU A 151 17.662 -7.378 -15.851 1.00 0.00 H new ATOM 0 HG2 GLU A 151 19.596 -5.969 -15.115 1.00 0.00 H new ATOM 0 HG3 GLU A 151 18.963 -4.614 -16.028 1.00 0.00 H new ATOM 171 N ASP A 152 19.376 -9.173 -17.112 1.00 0.00 N ATOM 172 CA ASP A 152 20.230 -10.298 -16.745 1.00 0.00 C ATOM 173 C ASP A 152 21.427 -10.394 -17.688 1.00 0.00 C ATOM 174 O ASP A 152 22.543 -10.644 -17.238 1.00 0.00 O ATOM 175 CB ASP A 152 19.415 -11.596 -16.784 1.00 0.00 C ATOM 176 CG ASP A 152 18.403 -11.659 -15.642 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.219 -10.615 -14.980 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.832 -12.756 -15.453 1.00 0.00 O ATOM 0 H ASP A 152 18.403 -9.428 -17.280 1.00 0.00 H new ATOM 0 HA ASP A 152 20.606 -10.141 -15.734 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.893 -11.670 -17.738 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.088 -12.451 -16.722 1.00 0.00 H new ATOM 183 N ARG A 153 21.203 -10.198 -18.996 1.00 0.00 N ATOM 184 CA ARG A 153 22.279 -10.270 -19.977 1.00 0.00 C ATOM 185 C ARG A 153 23.389 -9.270 -19.627 1.00 0.00 C ATOM 186 O ARG A 153 24.566 -9.554 -19.854 1.00 0.00 O ATOM 187 CB ARG A 153 21.725 -10.014 -21.386 1.00 0.00 C ATOM 188 CG ARG A 153 21.273 -11.343 -22.006 1.00 0.00 C ATOM 189 CD ARG A 153 20.887 -11.146 -23.478 1.00 0.00 C ATOM 190 NE ARG A 153 19.533 -10.581 -23.609 1.00 0.00 N ATOM 191 CZ ARG A 153 19.281 -9.287 -23.879 1.00 0.00 C ATOM 192 NH1 ARG A 153 20.252 -8.368 -23.788 1.00 0.00 N ATOM 193 NH2 ARG A 153 18.047 -8.914 -24.234 1.00 0.00 N ATOM 0 H ARG A 153 20.286 -9.989 -19.391 1.00 0.00 H new ATOM 0 HA ARG A 153 22.712 -11.270 -19.958 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.887 -9.319 -21.338 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.489 -9.550 -22.010 1.00 0.00 H new ATOM 0 HG2 ARG A 153 22.074 -12.078 -21.929 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.423 -11.739 -21.451 1.00 0.00 H new ATOM 0 HD2 ARG A 153 21.607 -10.484 -23.959 1.00 0.00 H new ATOM 0 HD3 ARG A 153 20.936 -12.102 -23.999 1.00 0.00 H new ATOM 0 HE ARG A 153 18.738 -11.209 -23.488 1.00 0.00 H new ATOM 0 HH11 ARG A 153 21.194 -8.647 -23.512 1.00 0.00 H new ATOM 0 HH12 ARG A 153 20.050 -7.390 -23.995 1.00 0.00 H new ATOM 0 HH21 ARG A 153 17.303 -9.609 -24.299 1.00 0.00 H new ATOM 0 HH22 ARG A 153 17.850 -7.935 -24.440 1.00 0.00 H new ATOM 207 N ILE A 154 23.024 -8.106 -19.065 1.00 0.00 N ATOM 208 CA ILE A 154 24.013 -7.107 -18.672 1.00 0.00 C ATOM 209 C ILE A 154 24.883 -7.684 -17.555 1.00 0.00 C ATOM 210 O ILE A 154 26.105 -7.531 -17.578 1.00 0.00 O ATOM 211 CB ILE A 154 23.320 -5.812 -18.205 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.305 -5.319 -19.258 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.376 -4.728 -17.954 1.00 0.00 C ATOM 214 CD1 ILE A 154 22.946 -5.227 -20.648 1.00 0.00 C ATOM 0 H ILE A 154 22.057 -7.841 -18.877 1.00 0.00 H new ATOM 0 HA ILE A 154 24.639 -6.859 -19.529 1.00 0.00 H new ATOM 0 HB ILE A 154 22.780 -6.021 -17.281 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.454 -5.999 -19.292 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.921 -4.341 -18.967 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.886 -3.812 -17.624 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.069 -5.067 -17.184 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.924 -4.534 -18.876 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.206 -4.877 -21.368 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.782 -4.528 -20.618 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.307 -6.211 -20.948 1.00 0.00 H new ATOM 226 N ILE A 155 24.250 -8.356 -16.581 1.00 0.00 N ATOM 227 CA ILE A 155 24.974 -8.967 -15.472 1.00 0.00 C ATOM 228 C ILE A 155 25.879 -10.064 -16.024 1.00 0.00 C ATOM 229 O ILE A 155 27.002 -10.218 -15.574 1.00 0.00 O ATOM 230 CB ILE A 155 24.003 -9.560 -14.429 1.00 0.00 C ATOM 231 CG1 ILE A 155 22.847 -8.591 -14.142 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.770 -9.834 -13.126 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.883 -9.228 -13.141 1.00 0.00 C ATOM 0 H ILE A 155 23.239 -8.486 -16.545 1.00 0.00 H new ATOM 0 HA ILE A 155 25.569 -8.202 -14.973 1.00 0.00 H new ATOM 0 HB ILE A 155 23.588 -10.486 -14.826 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.235 -7.654 -13.743 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.322 -8.351 -15.066 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.090 -10.253 -12.385 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.576 -10.542 -13.320 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.189 -8.902 -12.748 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.063 -8.540 -12.938 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.485 -10.154 -13.557 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.413 -9.445 -12.214 1.00 0.00 H new ATOM 245 N TYR A 156 25.376 -10.824 -17.005 1.00 0.00 N ATOM 246 CA TYR A 156 26.132 -11.902 -17.627 1.00 0.00 C ATOM 247 C TYR A 156 27.448 -11.358 -18.183 1.00 0.00 C ATOM 248 O TYR A 156 28.520 -11.863 -17.853 1.00 0.00 O ATOM 249 CB TYR A 156 25.282 -12.530 -18.743 1.00 0.00 C ATOM 250 CG TYR A 156 25.465 -14.028 -18.889 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.755 -14.586 -18.982 1.00 0.00 C ATOM 252 CD2 TYR A 156 24.336 -14.866 -18.941 1.00 0.00 C ATOM 253 CE1 TYR A 156 26.912 -15.976 -19.118 1.00 0.00 C ATOM 254 CE2 TYR A 156 24.494 -16.253 -19.080 1.00 0.00 C ATOM 255 CZ TYR A 156 25.781 -16.809 -19.166 1.00 0.00 C ATOM 256 OH TYR A 156 25.929 -18.160 -19.288 1.00 0.00 O ATOM 0 H TYR A 156 24.437 -10.704 -17.384 1.00 0.00 H new ATOM 0 HA TYR A 156 26.368 -12.668 -16.888 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.231 -12.320 -18.546 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.531 -12.050 -19.689 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.624 -13.945 -18.949 1.00 0.00 H new ATOM 0 HD2 TYR A 156 23.346 -14.441 -18.874 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.901 -16.404 -19.186 1.00 0.00 H new ATOM 0 HE2 TYR A 156 23.626 -16.894 -19.121 1.00 0.00 H new ATOM 0 HH TYR A 156 25.046 -18.586 -19.305 1.00 0.00 H new ATOM 266 N GLN A 157 27.360 -10.326 -19.029 1.00 0.00 N ATOM 267 CA GLN A 157 28.533 -9.730 -19.647 1.00 0.00 C ATOM 268 C GLN A 157 29.468 -9.157 -18.581 1.00 0.00 C ATOM 269 O GLN A 157 30.654 -9.480 -18.558 1.00 0.00 O ATOM 270 CB GLN A 157 28.084 -8.631 -20.616 1.00 0.00 C ATOM 271 CG GLN A 157 29.264 -8.201 -21.496 1.00 0.00 C ATOM 272 CD GLN A 157 29.035 -6.815 -22.084 1.00 0.00 C ATOM 273 OE1 GLN A 157 29.907 -5.952 -21.999 1.00 0.00 O ATOM 274 NE2 GLN A 157 27.863 -6.599 -22.681 1.00 0.00 N ATOM 0 H GLN A 157 26.479 -9.889 -19.298 1.00 0.00 H new ATOM 0 HA GLN A 157 29.081 -10.495 -20.197 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.267 -8.994 -21.239 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.703 -7.775 -20.059 1.00 0.00 H new ATOM 0 HG2 GLN A 157 30.181 -8.202 -20.906 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.403 -8.922 -22.301 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.169 -7.345 -22.728 1.00 0.00 H new ATOM 0 HE22 GLN A 157 27.660 -5.687 -23.091 1.00 0.00 H new ATOM 283 N ALA A 158 28.931 -8.298 -17.708 1.00 0.00 N ATOM 284 CA ALA A 158 29.719 -7.643 -16.671 1.00 0.00 C ATOM 285 C ALA A 158 30.423 -8.673 -15.784 1.00 0.00 C ATOM 286 O ALA A 158 31.602 -8.520 -15.474 1.00 0.00 O ATOM 287 CB ALA A 158 28.798 -6.754 -15.837 1.00 0.00 C ATOM 0 H ALA A 158 27.944 -8.042 -17.704 1.00 0.00 H new ATOM 0 HA ALA A 158 30.491 -7.032 -17.139 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.378 -6.259 -15.058 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.338 -6.003 -16.479 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.021 -7.365 -15.378 1.00 0.00 H new ATOM 293 N HIS A 159 29.699 -9.716 -15.374 1.00 0.00 N ATOM 294 CA HIS A 159 30.245 -10.749 -14.509 1.00 0.00 C ATOM 295 C HIS A 159 31.330 -11.533 -15.240 1.00 0.00 C ATOM 296 O HIS A 159 32.374 -11.814 -14.672 1.00 0.00 O ATOM 297 CB HIS A 159 29.119 -11.680 -14.055 1.00 0.00 C ATOM 298 CG HIS A 159 29.593 -12.729 -13.085 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.247 -13.889 -13.488 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.520 -12.823 -11.721 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.520 -14.588 -12.370 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.102 -13.991 -11.254 1.00 0.00 N ATOM 0 H HIS A 159 28.724 -9.863 -15.634 1.00 0.00 H new ATOM 0 HA HIS A 159 30.696 -10.284 -13.632 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.330 -11.090 -13.590 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.681 -12.167 -14.926 1.00 0.00 H new ATOM 0 HD1 HIS A 159 30.475 -14.158 -14.445 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.064 -12.078 -11.086 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.029 -15.541 -12.377 1.00 0.00 H new ATOM 310 N LYS A 160 31.086 -11.893 -16.499 1.00 0.00 N ATOM 311 CA LYS A 160 32.058 -12.647 -17.273 1.00 0.00 C ATOM 312 C LYS A 160 33.311 -11.800 -17.515 1.00 0.00 C ATOM 313 O LYS A 160 34.410 -12.338 -17.626 1.00 0.00 O ATOM 314 CB LYS A 160 31.421 -13.082 -18.597 1.00 0.00 C ATOM 315 CG LYS A 160 32.373 -14.022 -19.349 1.00 0.00 C ATOM 316 CD LYS A 160 31.603 -14.810 -20.421 1.00 0.00 C ATOM 317 CE LYS A 160 30.981 -13.862 -21.456 1.00 0.00 C ATOM 318 NZ LYS A 160 32.012 -13.067 -22.148 1.00 0.00 N ATOM 0 H LYS A 160 30.225 -11.673 -16.999 1.00 0.00 H new ATOM 0 HA LYS A 160 32.359 -13.537 -16.720 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.473 -13.586 -18.407 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.200 -12.208 -19.209 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.172 -13.446 -19.815 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.844 -14.712 -18.648 1.00 0.00 H new ATOM 0 HD2 LYS A 160 32.276 -15.508 -20.919 1.00 0.00 H new ATOM 0 HD3 LYS A 160 30.820 -15.404 -19.949 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.415 -14.440 -22.186 1.00 0.00 H new ATOM 0 HE3 LYS A 160 30.276 -13.194 -20.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 31.594 -12.605 -22.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 32.384 -12.343 -21.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 32.787 -13.691 -22.451 1.00 0.00 H new ATOM 332 N ARG A 161 33.139 -10.476 -17.599 1.00 0.00 N ATOM 333 CA ARG A 161 34.244 -9.562 -17.835 1.00 0.00 C ATOM 334 C ARG A 161 35.063 -9.363 -16.553 1.00 0.00 C ATOM 335 O ARG A 161 36.291 -9.402 -16.596 1.00 0.00 O ATOM 336 CB ARG A 161 33.680 -8.223 -18.332 1.00 0.00 C ATOM 337 CG ARG A 161 34.818 -7.320 -18.822 1.00 0.00 C ATOM 338 CD ARG A 161 34.268 -5.925 -19.148 1.00 0.00 C ATOM 339 NE ARG A 161 33.280 -5.975 -20.238 1.00 0.00 N ATOM 340 CZ ARG A 161 33.616 -5.992 -21.543 1.00 0.00 C ATOM 341 NH1 ARG A 161 34.902 -6.067 -21.911 1.00 0.00 N ATOM 342 NH2 ARG A 161 32.658 -5.934 -22.478 1.00 0.00 N ATOM 0 H ARG A 161 32.233 -10.018 -17.505 1.00 0.00 H new ATOM 0 HA ARG A 161 34.909 -9.980 -18.591 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.970 -8.397 -19.140 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.134 -7.729 -17.528 1.00 0.00 H new ATOM 0 HG2 ARG A 161 35.592 -7.247 -18.058 1.00 0.00 H new ATOM 0 HG3 ARG A 161 35.284 -7.754 -19.707 1.00 0.00 H new ATOM 0 HD2 ARG A 161 33.807 -5.497 -18.258 1.00 0.00 H new ATOM 0 HD3 ARG A 161 35.089 -5.266 -19.430 1.00 0.00 H new ATOM 0 HE ARG A 161 32.290 -5.998 -19.993 1.00 0.00 H new ATOM 0 HH11 ARG A 161 35.634 -6.112 -21.202 1.00 0.00 H new ATOM 0 HH12 ARG A 161 35.149 -6.079 -22.900 1.00 0.00 H new ATOM 0 HH21 ARG A 161 31.678 -5.877 -22.201 1.00 0.00 H new ATOM 0 HH22 ARG A 161 32.909 -5.947 -23.467 1.00 0.00 H new ATOM 356 N LEU A 162 34.380 -9.133 -15.421 1.00 0.00 N ATOM 357 CA LEU A 162 35.043 -8.858 -14.148 1.00 0.00 C ATOM 358 C LEU A 162 35.008 -10.083 -13.228 1.00 0.00 C ATOM 359 O LEU A 162 36.056 -10.626 -12.883 1.00 0.00 O ATOM 360 CB LEU A 162 34.346 -7.665 -13.475 1.00 0.00 C ATOM 361 CG LEU A 162 34.586 -6.378 -14.281 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.545 -5.331 -13.881 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.989 -5.832 -13.994 1.00 0.00 C ATOM 0 H LEU A 162 33.361 -9.133 -15.367 1.00 0.00 H new ATOM 0 HA LEU A 162 36.090 -8.620 -14.336 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.276 -7.858 -13.397 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.723 -7.541 -12.460 1.00 0.00 H new ATOM 0 HG LEU A 162 34.500 -6.601 -15.345 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.711 -4.416 -14.450 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.546 -5.713 -14.091 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.635 -5.117 -12.816 1.00 0.00 H new ATOM 0 HD21 LEU A 162 36.149 -4.920 -14.570 1.00 0.00 H new ATOM 0 HD22 LEU A 162 36.083 -5.611 -12.931 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.734 -6.576 -14.277 1.00 0.00 H new ATOM 375 N GLY A 163 33.804 -10.503 -12.822 1.00 0.00 N ATOM 376 CA GLY A 163 33.626 -11.627 -11.907 1.00 0.00 C ATOM 377 C GLY A 163 32.507 -11.301 -10.922 1.00 0.00 C ATOM 378 O GLY A 163 31.578 -10.572 -11.264 1.00 0.00 O ATOM 0 H GLY A 163 32.929 -10.071 -13.120 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.383 -12.531 -12.466 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.554 -11.824 -11.370 1.00 0.00 H new ATOM 382 N ASN A 164 32.600 -11.826 -9.691 1.00 0.00 N ATOM 383 CA ASN A 164 31.599 -11.558 -8.657 1.00 0.00 C ATOM 384 C ASN A 164 31.893 -10.212 -7.987 1.00 0.00 C ATOM 385 O ASN A 164 31.656 -10.047 -6.791 1.00 0.00 O ATOM 386 CB ASN A 164 31.608 -12.683 -7.611 1.00 0.00 C ATOM 387 CG ASN A 164 31.307 -14.040 -8.242 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.160 -14.474 -8.261 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.340 -14.713 -8.752 1.00 0.00 N ATOM 0 H ASN A 164 33.359 -12.438 -9.391 1.00 0.00 H new ATOM 0 HA ASN A 164 30.612 -11.517 -9.118 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.581 -12.717 -7.121 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.869 -12.468 -6.839 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.192 -15.627 -9.180 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.278 -14.313 -8.714 1.00 0.00 H new ATOM 396 N ARG A 165 32.412 -9.249 -8.759 1.00 0.00 N ATOM 397 CA ARG A 165 32.743 -7.934 -8.244 1.00 0.00 C ATOM 398 C ARG A 165 31.484 -7.076 -8.212 1.00 0.00 C ATOM 399 O ARG A 165 31.385 -6.091 -8.935 1.00 0.00 O ATOM 400 CB ARG A 165 33.819 -7.300 -9.136 1.00 0.00 C ATOM 401 CG ARG A 165 35.175 -7.957 -8.866 1.00 0.00 C ATOM 402 CD ARG A 165 36.132 -7.659 -10.025 1.00 0.00 C ATOM 403 NE ARG A 165 37.532 -7.677 -9.572 1.00 0.00 N ATOM 404 CZ ARG A 165 38.207 -6.579 -9.167 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.660 -5.356 -9.255 1.00 0.00 N ATOM 406 NH2 ARG A 165 39.444 -6.713 -8.671 1.00 0.00 N ATOM 0 H ARG A 165 32.610 -9.368 -9.752 1.00 0.00 H new ATOM 0 HA ARG A 165 33.135 -8.011 -7.230 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.550 -7.419 -10.186 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.879 -6.229 -8.942 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.592 -7.582 -7.931 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.052 -9.034 -8.751 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.992 -8.397 -10.815 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.897 -6.685 -10.454 1.00 0.00 H new ATOM 0 HE ARG A 165 38.022 -8.572 -9.563 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.719 -5.244 -9.633 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.185 -4.539 -8.944 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.868 -7.638 -8.602 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.962 -5.890 -8.363 1.00 0.00 H new ATOM 420 N TRP A 166 30.517 -7.451 -7.369 1.00 0.00 N ATOM 421 CA TRP A 166 29.272 -6.706 -7.252 1.00 0.00 C ATOM 422 C TRP A 166 29.570 -5.280 -6.794 1.00 0.00 C ATOM 423 O TRP A 166 28.921 -4.346 -7.231 1.00 0.00 O ATOM 424 CB TRP A 166 28.334 -7.400 -6.265 1.00 0.00 C ATOM 425 CG TRP A 166 28.370 -8.893 -6.296 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.828 -9.666 -5.307 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.942 -9.818 -7.345 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.728 -10.996 -5.628 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.181 -11.154 -6.887 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.377 -9.677 -8.635 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.876 -12.276 -7.658 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.068 -10.813 -9.417 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.319 -12.107 -8.928 1.00 0.00 C ATOM 0 H TRP A 166 30.578 -8.267 -6.760 1.00 0.00 H new ATOM 0 HA TRP A 166 28.781 -6.670 -8.225 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.582 -7.067 -5.257 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.314 -7.073 -6.466 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.226 -9.292 -4.375 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.018 -11.763 -5.021 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.180 -8.690 -9.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.069 -13.268 -7.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.635 -10.686 -10.398 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.082 -12.969 -9.533 1.00 0.00 H new ATOM 444 N ALA A 167 30.568 -5.116 -5.916 1.00 0.00 N ATOM 445 CA ALA A 167 30.954 -3.800 -5.415 1.00 0.00 C ATOM 446 C ALA A 167 31.415 -2.887 -6.565 1.00 0.00 C ATOM 447 O ALA A 167 31.602 -1.688 -6.359 1.00 0.00 O ATOM 448 CB ALA A 167 32.071 -3.968 -4.385 1.00 0.00 C ATOM 0 H ALA A 167 31.122 -5.885 -5.539 1.00 0.00 H new ATOM 0 HA ALA A 167 30.091 -3.329 -4.945 1.00 0.00 H new ATOM 0 HB1 ALA A 167 32.366 -2.990 -4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.715 -4.585 -3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.929 -4.449 -4.854 1.00 0.00 H new ATOM 454 N GLU A 168 31.597 -3.457 -7.768 1.00 0.00 N ATOM 455 CA GLU A 168 32.024 -2.712 -8.942 1.00 0.00 C ATOM 456 C GLU A 168 30.883 -2.662 -9.966 1.00 0.00 C ATOM 457 O GLU A 168 30.543 -1.595 -10.470 1.00 0.00 O ATOM 458 CB GLU A 168 33.256 -3.409 -9.528 1.00 0.00 C ATOM 459 CG GLU A 168 33.915 -2.528 -10.591 1.00 0.00 C ATOM 460 CD GLU A 168 35.126 -3.231 -11.200 1.00 0.00 C ATOM 461 OE1 GLU A 168 35.606 -4.199 -10.564 1.00 0.00 O ATOM 462 OE2 GLU A 168 35.549 -2.789 -12.287 1.00 0.00 O ATOM 0 H GLU A 168 31.449 -4.451 -7.944 1.00 0.00 H new ATOM 0 HA GLU A 168 32.280 -1.687 -8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.970 -3.627 -8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.967 -4.364 -9.967 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.194 -2.292 -11.373 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.223 -1.582 -10.146 1.00 0.00 H new ATOM 469 N ILE A 169 30.301 -3.828 -10.269 1.00 0.00 N ATOM 470 CA ILE A 169 29.230 -3.946 -11.253 1.00 0.00 C ATOM 471 C ILE A 169 27.960 -3.243 -10.763 1.00 0.00 C ATOM 472 O ILE A 169 27.292 -2.563 -11.538 1.00 0.00 O ATOM 473 CB ILE A 169 28.958 -5.438 -11.519 1.00 0.00 C ATOM 474 CG1 ILE A 169 30.217 -6.092 -12.119 1.00 0.00 C ATOM 475 CG2 ILE A 169 27.782 -5.584 -12.496 1.00 0.00 C ATOM 476 CD1 ILE A 169 30.088 -7.618 -12.089 1.00 0.00 C ATOM 0 H ILE A 169 30.563 -4.714 -9.836 1.00 0.00 H new ATOM 0 HA ILE A 169 29.537 -3.462 -12.180 1.00 0.00 H new ATOM 0 HB ILE A 169 28.707 -5.932 -10.581 1.00 0.00 H new ATOM 0 HG12 ILE A 169 30.358 -5.752 -13.145 1.00 0.00 H new ATOM 0 HG13 ILE A 169 31.099 -5.783 -11.557 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.592 -6.641 -12.682 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.892 -5.126 -12.065 1.00 0.00 H new ATOM 0 HG23 ILE A 169 28.026 -5.088 -13.436 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.985 -8.067 -12.516 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.970 -7.953 -11.059 1.00 0.00 H new ATOM 0 HD13 ILE A 169 29.218 -7.921 -12.671 1.00 0.00 H new ATOM 488 N ALA A 170 27.624 -3.417 -9.480 1.00 0.00 N ATOM 489 CA ALA A 170 26.420 -2.833 -8.900 1.00 0.00 C ATOM 490 C ALA A 170 26.389 -1.315 -9.106 1.00 0.00 C ATOM 491 O ALA A 170 25.315 -0.740 -9.252 1.00 0.00 O ATOM 492 CB ALA A 170 26.358 -3.182 -7.408 1.00 0.00 C ATOM 0 H ALA A 170 28.179 -3.964 -8.822 1.00 0.00 H new ATOM 0 HA ALA A 170 25.546 -3.247 -9.403 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.460 -2.748 -6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 170 26.333 -4.265 -7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 170 27.238 -2.782 -6.904 1.00 0.00 H new ATOM 498 N LYS A 171 27.563 -0.669 -9.120 1.00 0.00 N ATOM 499 CA LYS A 171 27.648 0.777 -9.304 1.00 0.00 C ATOM 500 C LYS A 171 27.205 1.166 -10.718 1.00 0.00 C ATOM 501 O LYS A 171 26.715 2.274 -10.926 1.00 0.00 O ATOM 502 CB LYS A 171 29.084 1.239 -9.044 1.00 0.00 C ATOM 503 CG LYS A 171 29.413 1.095 -7.556 1.00 0.00 C ATOM 504 CD LYS A 171 30.911 1.311 -7.340 1.00 0.00 C ATOM 505 CE LYS A 171 31.227 1.272 -5.841 1.00 0.00 C ATOM 506 NZ LYS A 171 32.591 0.772 -5.602 1.00 0.00 N ATOM 0 H LYS A 171 28.465 -1.130 -9.005 1.00 0.00 H new ATOM 0 HA LYS A 171 26.981 1.268 -8.596 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.780 0.647 -9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.204 2.277 -9.354 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.843 1.820 -6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.123 0.105 -7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.478 0.540 -7.861 1.00 0.00 H new ATOM 0 HD3 LYS A 171 31.215 2.270 -7.761 1.00 0.00 H new ATOM 0 HE2 LYS A 171 31.123 2.271 -5.418 1.00 0.00 H new ATOM 0 HE3 LYS A 171 30.507 0.633 -5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.836 0.897 -4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 32.638 -0.238 -5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 33.264 1.303 -6.192 1.00 0.00 H new ATOM 520 N LEU A 172 27.378 0.258 -11.689 1.00 0.00 N ATOM 521 CA LEU A 172 26.989 0.521 -13.069 1.00 0.00 C ATOM 522 C LEU A 172 25.464 0.509 -13.180 1.00 0.00 C ATOM 523 O LEU A 172 24.891 1.279 -13.949 1.00 0.00 O ATOM 524 CB LEU A 172 27.603 -0.534 -14.001 1.00 0.00 C ATOM 525 CG LEU A 172 29.124 -0.634 -13.791 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.693 -1.697 -14.734 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.790 0.714 -14.086 1.00 0.00 C ATOM 0 H LEU A 172 27.786 -0.664 -11.537 1.00 0.00 H new ATOM 0 HA LEU A 172 27.359 1.501 -13.368 1.00 0.00 H new ATOM 0 HB2 LEU A 172 27.141 -1.503 -13.813 1.00 0.00 H new ATOM 0 HB3 LEU A 172 27.391 -0.276 -15.039 1.00 0.00 H new ATOM 0 HG LEU A 172 29.324 -0.908 -12.755 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.771 -1.772 -14.590 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.230 -2.660 -14.519 1.00 0.00 H new ATOM 0 HD13 LEU A 172 29.484 -1.417 -15.766 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.866 0.629 -13.934 1.00 0.00 H new ATOM 0 HD22 LEU A 172 29.591 1.000 -15.119 1.00 0.00 H new ATOM 0 HD23 LEU A 172 29.387 1.473 -13.416 1.00 0.00 H new ATOM 539 N LEU A 173 24.810 -0.368 -12.408 1.00 0.00 N ATOM 540 CA LEU A 173 23.360 -0.473 -12.413 1.00 0.00 C ATOM 541 C LEU A 173 22.770 0.653 -11.551 1.00 0.00 C ATOM 542 O LEU A 173 23.417 1.101 -10.607 1.00 0.00 O ATOM 543 CB LEU A 173 22.955 -1.849 -11.875 1.00 0.00 C ATOM 544 CG LEU A 173 23.316 -2.944 -12.892 1.00 0.00 C ATOM 545 CD1 LEU A 173 23.447 -4.286 -12.171 1.00 0.00 C ATOM 546 CD2 LEU A 173 22.220 -3.046 -13.959 1.00 0.00 C ATOM 0 H LEU A 173 25.273 -1.016 -11.771 1.00 0.00 H new ATOM 0 HA LEU A 173 22.974 -0.370 -13.427 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.460 -2.041 -10.929 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.884 -1.868 -11.674 1.00 0.00 H new ATOM 0 HG LEU A 173 24.262 -2.690 -13.370 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.703 -5.063 -12.892 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.231 -4.219 -11.416 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.501 -4.535 -11.690 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.482 -3.824 -14.676 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.271 -3.296 -13.484 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.126 -2.091 -14.477 1.00 0.00 H new ATOM 558 N PRO A 174 21.546 1.128 -11.875 1.00 0.00 N ATOM 559 CA PRO A 174 20.918 2.223 -11.158 1.00 0.00 C ATOM 560 C PRO A 174 20.464 1.787 -9.751 1.00 0.00 C ATOM 561 O PRO A 174 21.248 1.841 -8.807 1.00 0.00 O ATOM 562 CB PRO A 174 19.744 2.657 -12.048 1.00 0.00 C ATOM 563 CG PRO A 174 19.481 1.487 -13.001 1.00 0.00 C ATOM 564 CD PRO A 174 20.743 0.622 -12.975 1.00 0.00 C ATOM 0 HA PRO A 174 21.605 3.051 -10.982 1.00 0.00 H new ATOM 0 HB2 PRO A 174 18.861 2.878 -11.448 1.00 0.00 H new ATOM 0 HB3 PRO A 174 19.988 3.564 -12.602 1.00 0.00 H new ATOM 0 HG2 PRO A 174 18.610 0.914 -12.683 1.00 0.00 H new ATOM 0 HG3 PRO A 174 19.276 1.845 -14.010 1.00 0.00 H new ATOM 0 HD2 PRO A 174 20.494 -0.429 -12.827 1.00 0.00 H new ATOM 0 HD3 PRO A 174 21.284 0.691 -13.919 1.00 0.00 H new ATOM 572 N GLY A 175 19.194 1.372 -9.608 1.00 0.00 N ATOM 573 CA GLY A 175 18.636 1.000 -8.313 1.00 0.00 C ATOM 574 C GLY A 175 18.826 -0.486 -8.031 1.00 0.00 C ATOM 575 O GLY A 175 17.866 -1.171 -7.684 1.00 0.00 O ATOM 0 H GLY A 175 18.537 1.288 -10.384 1.00 0.00 H new ATOM 0 HA2 GLY A 175 19.114 1.585 -7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.574 1.243 -8.289 1.00 0.00 H new ATOM 579 N ARG A 176 20.062 -0.982 -8.173 1.00 0.00 N ATOM 580 CA ARG A 176 20.375 -2.384 -7.917 1.00 0.00 C ATOM 581 C ARG A 176 21.546 -2.462 -6.941 1.00 0.00 C ATOM 582 O ARG A 176 22.682 -2.175 -7.313 1.00 0.00 O ATOM 583 CB ARG A 176 20.736 -3.087 -9.232 1.00 0.00 C ATOM 584 CG ARG A 176 19.570 -3.022 -10.231 1.00 0.00 C ATOM 585 CD ARG A 176 18.362 -3.796 -9.691 1.00 0.00 C ATOM 586 NE ARG A 176 17.577 -4.377 -10.789 1.00 0.00 N ATOM 587 CZ ARG A 176 16.437 -5.060 -10.595 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.949 -5.225 -9.359 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.786 -5.579 -11.637 1.00 0.00 N ATOM 0 H ARG A 176 20.864 -0.424 -8.466 1.00 0.00 H new ATOM 0 HA ARG A 176 19.507 -2.881 -7.484 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.619 -2.619 -9.668 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.992 -4.128 -9.034 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.294 -1.983 -10.411 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.879 -3.440 -11.189 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.701 -4.588 -9.023 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.732 -3.130 -9.101 1.00 0.00 H new ATOM 0 HE ARG A 176 17.914 -4.256 -11.744 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.444 -4.831 -8.559 1.00 0.00 H new ATOM 0 HH12 ARG A 176 15.083 -5.745 -9.218 1.00 0.00 H new ATOM 0 HH21 ARG A 176 16.154 -5.457 -12.580 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.920 -6.098 -11.490 1.00 0.00 H new ATOM 603 N THR A 177 21.270 -2.850 -5.692 1.00 0.00 N ATOM 604 CA THR A 177 22.306 -2.955 -4.675 1.00 0.00 C ATOM 605 C THR A 177 23.164 -4.193 -4.932 1.00 0.00 C ATOM 606 O THR A 177 22.726 -5.134 -5.599 1.00 0.00 O ATOM 607 CB THR A 177 21.662 -3.026 -3.285 1.00 0.00 C ATOM 608 OG1 THR A 177 20.818 -4.155 -3.209 1.00 0.00 O ATOM 609 CG2 THR A 177 20.843 -1.758 -3.024 1.00 0.00 C ATOM 0 H THR A 177 20.335 -3.096 -5.367 1.00 0.00 H new ATOM 0 HA THR A 177 22.946 -2.074 -4.719 1.00 0.00 H new ATOM 0 HB THR A 177 22.447 -3.108 -2.533 1.00 0.00 H new ATOM 0 HG1 THR A 177 20.409 -4.199 -2.319 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.389 -1.816 -2.035 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.496 -0.887 -3.073 1.00 0.00 H new ATOM 0 HG23 THR A 177 20.061 -1.668 -3.778 1.00 0.00 H new ATOM 617 N ASP A 178 24.387 -4.189 -4.393 1.00 0.00 N ATOM 618 CA ASP A 178 25.306 -5.305 -4.540 1.00 0.00 C ATOM 619 C ASP A 178 24.664 -6.577 -3.991 1.00 0.00 C ATOM 620 O ASP A 178 24.771 -7.641 -4.599 1.00 0.00 O ATOM 621 CB ASP A 178 26.613 -4.985 -3.802 1.00 0.00 C ATOM 622 CG ASP A 178 26.384 -4.835 -2.300 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.609 -3.924 -1.930 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.984 -5.635 -1.552 1.00 0.00 O ATOM 0 H ASP A 178 24.760 -3.413 -3.846 1.00 0.00 H new ATOM 0 HA ASP A 178 25.531 -5.466 -5.594 1.00 0.00 H new ATOM 0 HB2 ASP A 178 27.338 -5.778 -3.983 1.00 0.00 H new ATOM 0 HB3 ASP A 178 27.041 -4.065 -4.200 1.00 0.00 H new ATOM 629 N ASN A 179 23.992 -6.459 -2.840 1.00 0.00 N ATOM 630 CA ASN A 179 23.329 -7.586 -2.208 1.00 0.00 C ATOM 631 C ASN A 179 22.223 -8.123 -3.115 1.00 0.00 C ATOM 632 O ASN A 179 22.140 -9.327 -3.339 1.00 0.00 O ATOM 633 CB ASN A 179 22.758 -7.143 -0.860 1.00 0.00 C ATOM 634 CG ASN A 179 22.059 -8.303 -0.159 1.00 0.00 C ATOM 635 OD1 ASN A 179 22.694 -9.069 0.559 1.00 0.00 O ATOM 636 ND2 ASN A 179 20.748 -8.431 -0.369 1.00 0.00 N ATOM 0 H ASN A 179 23.898 -5.581 -2.329 1.00 0.00 H new ATOM 0 HA ASN A 179 24.048 -8.388 -2.042 1.00 0.00 H new ATOM 0 HB2 ASN A 179 23.560 -6.761 -0.228 1.00 0.00 H new ATOM 0 HB3 ASN A 179 22.053 -6.325 -1.010 1.00 0.00 H new ATOM 0 HD21 ASN A 179 20.232 -9.190 0.076 1.00 0.00 H new ATOM 0 HD22 ASN A 179 20.262 -7.770 -0.974 1.00 0.00 H new ATOM 643 N ALA A 180 21.369 -7.228 -3.634 1.00 0.00 N ATOM 644 CA ALA A 180 20.265 -7.626 -4.498 1.00 0.00 C ATOM 645 C ALA A 180 20.788 -8.415 -5.698 1.00 0.00 C ATOM 646 O ALA A 180 20.264 -9.484 -6.011 1.00 0.00 O ATOM 647 CB ALA A 180 19.503 -6.384 -4.962 1.00 0.00 C ATOM 0 H ALA A 180 21.428 -6.224 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 180 19.586 -8.269 -3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.678 -6.684 -5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 180 19.111 -5.853 -4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 180 20.177 -5.729 -5.514 1.00 0.00 H new ATOM 653 N ILE A 181 21.818 -7.887 -6.370 1.00 0.00 N ATOM 654 CA ILE A 181 22.395 -8.541 -7.538 1.00 0.00 C ATOM 655 C ILE A 181 22.976 -9.897 -7.142 1.00 0.00 C ATOM 656 O ILE A 181 22.701 -10.903 -7.795 1.00 0.00 O ATOM 657 CB ILE A 181 23.484 -7.648 -8.149 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.864 -6.342 -8.660 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.142 -8.383 -9.322 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.920 -5.239 -8.676 1.00 0.00 C ATOM 0 H ILE A 181 22.266 -7.006 -6.119 1.00 0.00 H new ATOM 0 HA ILE A 181 21.615 -8.701 -8.283 1.00 0.00 H new ATOM 0 HB ILE A 181 24.229 -7.420 -7.387 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.462 -6.488 -9.663 1.00 0.00 H new ATOM 0 HG13 ILE A 181 22.030 -6.050 -8.021 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.916 -7.752 -9.759 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.589 -9.311 -8.965 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.390 -8.610 -10.077 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.474 -4.313 -9.040 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.301 -5.086 -7.666 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.740 -5.530 -9.333 1.00 0.00 H new ATOM 672 N LYS A 182 23.785 -9.919 -6.075 1.00 0.00 N ATOM 673 CA LYS A 182 24.416 -11.141 -5.601 1.00 0.00 C ATOM 674 C LYS A 182 23.362 -12.225 -5.376 1.00 0.00 C ATOM 675 O LYS A 182 23.472 -13.318 -5.927 1.00 0.00 O ATOM 676 CB LYS A 182 25.180 -10.840 -4.305 1.00 0.00 C ATOM 677 CG LYS A 182 25.873 -12.107 -3.795 1.00 0.00 C ATOM 678 CD LYS A 182 26.633 -11.786 -2.507 1.00 0.00 C ATOM 679 CE LYS A 182 27.266 -13.063 -1.949 1.00 0.00 C ATOM 680 NZ LYS A 182 27.958 -12.798 -0.675 1.00 0.00 N ATOM 0 H LYS A 182 24.015 -9.092 -5.524 1.00 0.00 H new ATOM 0 HA LYS A 182 25.118 -11.508 -6.349 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.919 -10.059 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.493 -10.463 -3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.136 -12.889 -3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.560 -12.488 -4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.405 -11.042 -2.705 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.955 -11.353 -1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.495 -13.819 -1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 182 27.973 -13.469 -2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 28.378 -13.680 -0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.708 -12.094 -0.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.277 -12.433 0.021 1.00 0.00 H new ATOM 694 N ASN A 183 22.343 -11.918 -4.563 1.00 0.00 N ATOM 695 CA ASN A 183 21.281 -12.867 -4.258 1.00 0.00 C ATOM 696 C ASN A 183 20.616 -13.348 -5.545 1.00 0.00 C ATOM 697 O ASN A 183 20.515 -14.548 -5.770 1.00 0.00 O ATOM 698 CB ASN A 183 20.251 -12.207 -3.333 1.00 0.00 C ATOM 699 CG ASN A 183 20.710 -12.259 -1.879 1.00 0.00 C ATOM 700 OD1 ASN A 183 20.451 -13.381 -1.206 1.00 0.00 O flip ATOM 701 ND2 ASN A 183 21.287 -11.303 -1.372 1.00 0.00 N flip ATOM 0 H ASN A 183 22.238 -11.012 -4.105 1.00 0.00 H new ATOM 0 HA ASN A 183 21.708 -13.732 -3.751 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.099 -11.170 -3.633 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.290 -12.712 -3.433 1.00 0.00 H new ATOM 0 HD21 ASN A 183 21.465 -10.464 -1.924 1.00 0.00 H new ATOM 0 HD22 ASN A 183 21.589 -11.347 -0.399 1.00 0.00 H new ATOM 708 N HIS A 184 20.163 -12.408 -6.385 1.00 0.00 N ATOM 709 CA HIS A 184 19.496 -12.738 -7.640 1.00 0.00 C ATOM 710 C HIS A 184 20.329 -13.739 -8.447 1.00 0.00 C ATOM 711 O HIS A 184 19.841 -14.814 -8.798 1.00 0.00 O ATOM 712 CB HIS A 184 19.270 -11.448 -8.441 1.00 0.00 C ATOM 713 CG HIS A 184 19.172 -11.687 -9.925 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.150 -12.429 -10.506 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.967 -11.302 -10.973 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.388 -12.443 -11.833 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.486 -11.772 -12.183 1.00 0.00 N ATOM 0 H HIS A 184 20.250 -11.407 -6.211 1.00 0.00 H new ATOM 0 HA HIS A 184 18.534 -13.204 -7.428 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.355 -10.967 -8.095 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.088 -10.756 -8.243 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.860 -10.704 -10.868 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.751 -12.949 -12.544 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.877 -11.638 -13.116 1.00 0.00 H new ATOM 725 N TRP A 185 21.581 -13.381 -8.744 1.00 0.00 N ATOM 726 CA TRP A 185 22.461 -14.227 -9.532 1.00 0.00 C ATOM 727 C TRP A 185 22.618 -15.601 -8.874 1.00 0.00 C ATOM 728 O TRP A 185 22.510 -16.623 -9.543 1.00 0.00 O ATOM 729 CB TRP A 185 23.821 -13.532 -9.685 1.00 0.00 C ATOM 730 CG TRP A 185 24.875 -14.340 -10.389 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.496 -15.414 -9.885 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.459 -14.153 -11.715 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.412 -15.923 -10.767 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.438 -15.177 -11.927 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.271 -13.228 -12.762 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.182 -15.272 -13.105 1.00 0.00 C ATOM 737 CZ3 TRP A 185 26.023 -13.317 -13.952 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.974 -14.338 -14.124 1.00 0.00 C ATOM 0 H TRP A 185 22.004 -12.503 -8.445 1.00 0.00 H new ATOM 0 HA TRP A 185 22.027 -14.383 -10.520 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.676 -12.600 -10.230 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.190 -13.267 -8.694 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.299 -15.827 -8.907 1.00 0.00 H new ATOM 0 HE1 TRP A 185 26.995 -16.741 -10.590 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.541 -12.440 -12.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.911 -16.059 -13.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.867 -12.594 -14.739 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.542 -14.401 -15.040 1.00 0.00 H new ATOM 749 N ASN A 186 22.880 -15.625 -7.562 1.00 0.00 N ATOM 750 CA ASN A 186 23.102 -16.875 -6.841 1.00 0.00 C ATOM 751 C ASN A 186 21.803 -17.675 -6.674 1.00 0.00 C ATOM 752 O ASN A 186 21.854 -18.831 -6.255 1.00 0.00 O ATOM 753 CB ASN A 186 23.723 -16.573 -5.473 1.00 0.00 C ATOM 754 CG ASN A 186 25.228 -16.350 -5.596 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.014 -17.245 -5.298 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.629 -15.159 -6.038 1.00 0.00 N ATOM 0 H ASN A 186 22.943 -14.789 -6.981 1.00 0.00 H new ATOM 0 HA ASN A 186 23.786 -17.489 -7.427 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.254 -15.688 -5.044 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.528 -17.400 -4.790 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.624 -14.962 -6.140 1.00 0.00 H new ATOM 0 HD22 ASN A 186 24.941 -14.444 -6.274 1.00 0.00 H new ATOM 763 N SER A 187 20.648 -17.075 -6.994 1.00 0.00 N ATOM 764 CA SER A 187 19.362 -17.753 -6.858 1.00 0.00 C ATOM 765 C SER A 187 18.864 -18.270 -8.211 1.00 0.00 C ATOM 766 O SER A 187 18.038 -19.179 -8.244 1.00 0.00 O ATOM 767 CB SER A 187 18.340 -16.788 -6.253 1.00 0.00 C ATOM 768 OG SER A 187 18.733 -16.442 -4.942 1.00 0.00 O ATOM 0 H SER A 187 20.583 -16.121 -7.349 1.00 0.00 H new ATOM 0 HA SER A 187 19.489 -18.612 -6.199 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.262 -15.892 -6.869 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.353 -17.250 -6.237 1.00 0.00 H new ATOM 0 HG SER A 187 19.423 -15.748 -4.980 1.00 0.00 H new ATOM 774 N THR A 188 19.351 -17.691 -9.323 1.00 0.00 N ATOM 775 CA THR A 188 18.896 -18.084 -10.654 1.00 0.00 C ATOM 776 C THR A 188 20.078 -18.340 -11.590 1.00 0.00 C ATOM 777 O THR A 188 20.191 -19.425 -12.162 1.00 0.00 O ATOM 778 CB THR A 188 17.990 -16.977 -11.213 1.00 0.00 C ATOM 779 OG1 THR A 188 16.940 -16.727 -10.302 1.00 0.00 O ATOM 780 CG2 THR A 188 17.400 -17.412 -12.556 1.00 0.00 C ATOM 0 H THR A 188 20.056 -16.954 -9.319 1.00 0.00 H new ATOM 0 HA THR A 188 18.336 -19.016 -10.581 1.00 0.00 H new ATOM 0 HB THR A 188 18.580 -16.071 -11.356 1.00 0.00 H new ATOM 0 HG1 THR A 188 16.361 -16.020 -10.656 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.759 -16.621 -12.945 1.00 0.00 H new ATOM 0 HG22 THR A 188 18.207 -17.605 -13.263 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.813 -18.320 -12.419 1.00 0.00 H new ATOM 788 N MET A 189 20.950 -17.341 -11.761 1.00 0.00 N ATOM 789 CA MET A 189 22.079 -17.443 -12.679 1.00 0.00 C ATOM 790 C MET A 189 23.235 -18.221 -12.039 1.00 0.00 C ATOM 791 O MET A 189 24.361 -17.730 -11.986 1.00 0.00 O ATOM 792 CB MET A 189 22.531 -16.033 -13.075 1.00 0.00 C ATOM 793 CG MET A 189 21.372 -15.265 -13.727 1.00 0.00 C ATOM 794 SD MET A 189 21.773 -13.548 -14.151 1.00 0.00 S ATOM 795 CE MET A 189 23.075 -13.845 -15.369 1.00 0.00 C ATOM 0 H MET A 189 20.891 -16.449 -11.270 1.00 0.00 H new ATOM 0 HA MET A 189 21.768 -17.988 -13.570 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.882 -15.496 -12.194 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.371 -16.094 -13.767 1.00 0.00 H new ATOM 0 HG2 MET A 189 21.065 -15.790 -14.632 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.518 -15.271 -13.049 1.00 0.00 H new ATOM 0 HE1 MET A 189 23.602 -12.913 -15.573 1.00 0.00 H new ATOM 0 HE2 MET A 189 23.778 -14.581 -14.978 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.632 -14.220 -16.291 1.00 0.00 H new ATOM 805 N ARG A 190 22.955 -19.438 -11.559 1.00 0.00 N ATOM 806 CA ARG A 190 23.965 -20.277 -10.923 1.00 0.00 C ATOM 807 C ARG A 190 24.645 -21.178 -11.954 1.00 0.00 C ATOM 808 O ARG A 190 25.792 -21.581 -11.755 1.00 0.00 O ATOM 809 CB ARG A 190 23.299 -21.120 -9.834 1.00 0.00 C ATOM 810 CG ARG A 190 23.109 -20.274 -8.572 1.00 0.00 C ATOM 811 CD ARG A 190 24.350 -20.382 -7.675 1.00 0.00 C ATOM 812 NE ARG A 190 24.468 -21.723 -7.084 1.00 0.00 N ATOM 813 CZ ARG A 190 23.757 -22.125 -6.012 1.00 0.00 C ATOM 814 NH1 ARG A 190 22.840 -21.315 -5.461 1.00 0.00 N ATOM 815 NH2 ARG A 190 23.969 -23.342 -5.493 1.00 0.00 N ATOM 0 H ARG A 190 22.028 -19.862 -11.602 1.00 0.00 H new ATOM 0 HA ARG A 190 24.731 -19.643 -10.476 1.00 0.00 H new ATOM 0 HB2 ARG A 190 22.335 -21.489 -10.185 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.912 -21.993 -9.610 1.00 0.00 H new ATOM 0 HG2 ARG A 190 22.937 -19.233 -8.845 1.00 0.00 H new ATOM 0 HG3 ARG A 190 22.227 -20.611 -8.028 1.00 0.00 H new ATOM 0 HD2 ARG A 190 25.243 -20.160 -8.259 1.00 0.00 H new ATOM 0 HD3 ARG A 190 24.294 -19.637 -6.882 1.00 0.00 H new ATOM 0 HE ARG A 190 25.121 -22.383 -7.507 1.00 0.00 H new ATOM 0 HH11 ARG A 190 22.677 -20.388 -5.853 1.00 0.00 H new ATOM 0 HH12 ARG A 190 22.306 -21.627 -4.650 1.00 0.00 H new ATOM 0 HH21 ARG A 190 24.666 -23.960 -5.909 1.00 0.00 H new ATOM 0 HH22 ARG A 190 23.433 -23.651 -4.682 1.00 0.00 H new