USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=8 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= -0.228 X(o=-0.21,f=-0.3) USER MOD Set 1.2: A 188 THR OG1 : rot 140:sc= 0.017 USER MOD Set 2.1: A 159 HIS : no HD1:sc= -0.0789 K(o=0.2,f=-3.4) USER MOD Set 2.2: A 164 ASN : amide:sc= 0.281 X(o=0.2,f=0.1) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.0402 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 160 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0862) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 THR OG1 : rot -69:sc= 1.23 USER MOD Single : A 179 ASN : amide:sc= 0.823 K(o=0.82,f=-0.00031) USER MOD Single : A 182 LYS NZ :NH3+ -172:sc= 1.02 (180deg=0.945) USER MOD Single : A 183 ASN : amide:sc= -0.105 K(o=-0.11,f=-1.6) USER MOD Single : A 186 ASN : amide:sc= -0.0202 K(o=-0.02,f=-1.6!) USER MOD Single : A 187 SER OG : rot 86:sc= 0.0709 USER MOD Single : A 189 MET CE :methyl 175:sc= -1.07 (180deg=-1.13) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.794 -8.941 -12.953 1.00 0.00 N ATOM 89 CA TRP A 147 14.974 -9.406 -13.664 1.00 0.00 C ATOM 90 C TRP A 147 14.560 -9.995 -15.006 1.00 0.00 C ATOM 91 O TRP A 147 14.217 -11.172 -15.097 1.00 0.00 O ATOM 92 CB TRP A 147 15.700 -10.440 -12.804 1.00 0.00 C ATOM 93 CG TRP A 147 16.444 -9.854 -11.644 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.269 -10.173 -10.350 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.485 -8.831 -11.650 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.110 -9.439 -9.545 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.887 -8.584 -10.299 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.135 -8.080 -12.655 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.867 -7.647 -9.969 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.122 -7.130 -12.324 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.485 -6.915 -10.987 1.00 0.00 C ATOM 0 HA TRP A 147 15.654 -8.575 -13.854 1.00 0.00 H new ATOM 0 HB2 TRP A 147 14.973 -11.161 -12.429 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.401 -10.991 -13.431 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.563 -10.907 -9.990 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.153 -9.517 -8.529 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.872 -8.236 -13.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.145 -7.489 -8.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.603 -6.563 -13.107 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.242 -6.184 -10.744 1.00 0.00 H new ATOM 112 N THR A 148 14.594 -9.159 -16.045 1.00 0.00 N ATOM 113 CA THR A 148 14.235 -9.566 -17.393 1.00 0.00 C ATOM 114 C THR A 148 15.478 -10.069 -18.126 1.00 0.00 C ATOM 115 O THR A 148 16.597 -9.789 -17.711 1.00 0.00 O ATOM 116 CB THR A 148 13.614 -8.372 -18.128 1.00 0.00 C ATOM 117 OG1 THR A 148 14.426 -7.232 -17.949 1.00 0.00 O ATOM 118 CG2 THR A 148 12.219 -8.090 -17.568 1.00 0.00 C ATOM 0 H THR A 148 14.872 -8.181 -15.969 1.00 0.00 H new ATOM 0 HA THR A 148 13.507 -10.376 -17.358 1.00 0.00 H new ATOM 0 HB THR A 148 13.539 -8.605 -19.190 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.029 -6.470 -18.421 1.00 0.00 H new ATOM 0 HG21 THR A 148 11.781 -7.241 -18.093 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.587 -8.967 -17.706 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.293 -7.860 -16.505 1.00 0.00 H new ATOM 126 N GLU A 149 15.269 -10.812 -19.221 1.00 0.00 N ATOM 127 CA GLU A 149 16.357 -11.377 -20.012 1.00 0.00 C ATOM 128 C GLU A 149 17.413 -10.313 -20.331 1.00 0.00 C ATOM 129 O GLU A 149 18.598 -10.521 -20.078 1.00 0.00 O ATOM 130 CB GLU A 149 15.772 -11.967 -21.302 1.00 0.00 C ATOM 131 CG GLU A 149 16.869 -12.676 -22.101 1.00 0.00 C ATOM 132 CD GLU A 149 16.295 -13.298 -23.367 1.00 0.00 C ATOM 133 OE1 GLU A 149 15.974 -12.514 -24.287 1.00 0.00 O ATOM 134 OE2 GLU A 149 16.185 -14.542 -23.391 1.00 0.00 O ATOM 0 H GLU A 149 14.340 -11.035 -19.578 1.00 0.00 H new ATOM 0 HA GLU A 149 16.851 -12.163 -19.441 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.975 -12.670 -21.061 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.327 -11.175 -21.904 1.00 0.00 H new ATOM 0 HG2 GLU A 149 17.653 -11.965 -22.362 1.00 0.00 H new ATOM 0 HG3 GLU A 149 17.331 -13.449 -21.487 1.00 0.00 H new ATOM 141 N GLU A 150 16.981 -9.178 -20.893 1.00 0.00 N ATOM 142 CA GLU A 150 17.891 -8.104 -21.268 1.00 0.00 C ATOM 143 C GLU A 150 18.680 -7.617 -20.049 1.00 0.00 C ATOM 144 O GLU A 150 19.898 -7.486 -20.113 1.00 0.00 O ATOM 145 CB GLU A 150 17.089 -6.961 -21.894 1.00 0.00 C ATOM 146 CG GLU A 150 18.045 -5.918 -22.480 1.00 0.00 C ATOM 147 CD GLU A 150 17.281 -4.871 -23.279 1.00 0.00 C ATOM 148 OE1 GLU A 150 16.320 -4.312 -22.710 1.00 0.00 O ATOM 149 OE2 GLU A 150 17.674 -4.650 -24.444 1.00 0.00 O ATOM 0 H GLU A 150 16.000 -8.985 -21.097 1.00 0.00 H new ATOM 0 HA GLU A 150 18.610 -8.476 -21.999 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.435 -7.348 -22.675 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.449 -6.499 -21.142 1.00 0.00 H new ATOM 0 HG2 GLU A 150 18.600 -5.435 -21.676 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.777 -6.409 -23.122 1.00 0.00 H new ATOM 156 N GLU A 151 17.983 -7.351 -18.941 1.00 0.00 N ATOM 157 CA GLU A 151 18.620 -6.877 -17.719 1.00 0.00 C ATOM 158 C GLU A 151 19.688 -7.879 -17.265 1.00 0.00 C ATOM 159 O GLU A 151 20.818 -7.495 -16.965 1.00 0.00 O ATOM 160 CB GLU A 151 17.544 -6.690 -16.638 1.00 0.00 C ATOM 161 CG GLU A 151 18.114 -5.912 -15.447 1.00 0.00 C ATOM 162 CD GLU A 151 18.003 -4.410 -15.662 1.00 0.00 C ATOM 163 OE1 GLU A 151 18.817 -3.884 -16.448 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.101 -3.815 -15.031 1.00 0.00 O ATOM 0 H GLU A 151 16.971 -7.458 -18.870 1.00 0.00 H new ATOM 0 HA GLU A 151 19.112 -5.921 -17.899 1.00 0.00 H new ATOM 0 HB2 GLU A 151 16.690 -6.156 -17.054 1.00 0.00 H new ATOM 0 HB3 GLU A 151 17.181 -7.662 -16.305 1.00 0.00 H new ATOM 0 HG2 GLU A 151 17.580 -6.192 -14.539 1.00 0.00 H new ATOM 0 HG3 GLU A 151 19.159 -6.184 -15.299 1.00 0.00 H new ATOM 171 N ASP A 152 19.323 -9.164 -17.221 1.00 0.00 N ATOM 172 CA ASP A 152 20.232 -10.220 -16.799 1.00 0.00 C ATOM 173 C ASP A 152 21.425 -10.307 -17.748 1.00 0.00 C ATOM 174 O ASP A 152 22.532 -10.612 -17.315 1.00 0.00 O ATOM 175 CB ASP A 152 19.478 -11.552 -16.754 1.00 0.00 C ATOM 176 CG ASP A 152 18.327 -11.503 -15.754 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.415 -10.674 -14.823 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.380 -12.297 -15.943 1.00 0.00 O ATOM 0 H ASP A 152 18.393 -9.495 -17.477 1.00 0.00 H new ATOM 0 HA ASP A 152 20.611 -9.992 -15.803 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.091 -11.787 -17.746 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.166 -12.353 -16.482 1.00 0.00 H new ATOM 183 N ARG A 153 21.200 -10.036 -19.041 1.00 0.00 N ATOM 184 CA ARG A 153 22.262 -10.078 -20.038 1.00 0.00 C ATOM 185 C ARG A 153 23.403 -9.143 -19.628 1.00 0.00 C ATOM 186 O ARG A 153 24.574 -9.481 -19.802 1.00 0.00 O ATOM 187 CB ARG A 153 21.691 -9.677 -21.402 1.00 0.00 C ATOM 188 CG ARG A 153 22.661 -10.070 -22.516 1.00 0.00 C ATOM 189 CD ARG A 153 22.058 -9.681 -23.866 1.00 0.00 C ATOM 190 NE ARG A 153 22.970 -10.010 -24.967 1.00 0.00 N ATOM 191 CZ ARG A 153 22.667 -9.791 -26.258 1.00 0.00 C ATOM 192 NH1 ARG A 153 21.483 -9.255 -26.590 1.00 0.00 N ATOM 193 NH2 ARG A 153 23.548 -10.108 -27.214 1.00 0.00 N ATOM 0 H ARG A 153 20.285 -9.785 -19.416 1.00 0.00 H new ATOM 0 HA ARG A 153 22.662 -11.090 -20.107 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.729 -10.164 -21.559 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.512 -8.602 -21.428 1.00 0.00 H new ATOM 0 HG2 ARG A 153 23.619 -9.570 -22.374 1.00 0.00 H new ATOM 0 HG3 ARG A 153 22.854 -11.142 -22.485 1.00 0.00 H new ATOM 0 HD2 ARG A 153 21.110 -10.200 -24.007 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.841 -8.613 -23.876 1.00 0.00 H new ATOM 0 HE ARG A 153 23.875 -10.424 -24.743 1.00 0.00 H new ATOM 0 HH11 ARG A 153 20.811 -9.013 -25.862 1.00 0.00 H new ATOM 0 HH12 ARG A 153 21.255 -9.090 -27.570 1.00 0.00 H new ATOM 0 HH21 ARG A 153 24.449 -10.516 -26.963 1.00 0.00 H new ATOM 0 HH22 ARG A 153 23.319 -9.942 -28.194 1.00 0.00 H new ATOM 207 N ILE A 154 23.061 -7.967 -19.081 1.00 0.00 N ATOM 208 CA ILE A 154 24.062 -7.000 -18.648 1.00 0.00 C ATOM 209 C ILE A 154 24.939 -7.624 -17.563 1.00 0.00 C ATOM 210 O ILE A 154 26.166 -7.565 -17.647 1.00 0.00 O ATOM 211 CB ILE A 154 23.375 -5.727 -18.118 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.392 -5.153 -19.161 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.437 -4.675 -17.771 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.056 -5.019 -20.537 1.00 0.00 C ATOM 0 H ILE A 154 22.097 -7.669 -18.931 1.00 0.00 H new ATOM 0 HA ILE A 154 24.688 -6.725 -19.496 1.00 0.00 H new ATOM 0 HB ILE A 154 22.810 -5.988 -17.223 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.520 -5.802 -19.237 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.036 -4.177 -18.830 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.949 -3.775 -17.396 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.105 -5.071 -17.006 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.012 -4.431 -18.664 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.338 -4.612 -21.249 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.913 -4.350 -20.464 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.389 -5.999 -20.877 1.00 0.00 H new ATOM 226 N ILE A 155 24.310 -8.224 -16.544 1.00 0.00 N ATOM 227 CA ILE A 155 25.039 -8.845 -15.446 1.00 0.00 C ATOM 228 C ILE A 155 25.863 -10.022 -15.973 1.00 0.00 C ATOM 229 O ILE A 155 26.987 -10.227 -15.539 1.00 0.00 O ATOM 230 CB ILE A 155 24.060 -9.313 -14.354 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.267 -8.116 -13.806 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.851 -9.958 -13.205 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.988 -8.603 -13.125 1.00 0.00 C ATOM 0 H ILE A 155 23.295 -8.289 -16.463 1.00 0.00 H new ATOM 0 HA ILE A 155 25.716 -8.113 -15.006 1.00 0.00 H new ATOM 0 HB ILE A 155 23.368 -10.036 -14.785 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.878 -7.559 -13.095 1.00 0.00 H new ATOM 0 HG13 ILE A 155 23.019 -7.432 -14.617 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.161 -10.291 -12.430 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.411 -10.813 -13.584 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.543 -9.228 -12.785 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.433 -7.748 -12.740 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.373 -9.140 -13.847 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.245 -9.269 -12.302 1.00 0.00 H new ATOM 245 N TYR A 156 25.298 -10.794 -16.907 1.00 0.00 N ATOM 246 CA TYR A 156 25.977 -11.951 -17.474 1.00 0.00 C ATOM 247 C TYR A 156 27.292 -11.527 -18.125 1.00 0.00 C ATOM 248 O TYR A 156 28.336 -12.133 -17.868 1.00 0.00 O ATOM 249 CB TYR A 156 25.055 -12.627 -18.493 1.00 0.00 C ATOM 250 CG TYR A 156 25.568 -13.969 -18.970 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.427 -14.042 -20.082 1.00 0.00 C ATOM 252 CD2 TYR A 156 25.182 -15.146 -18.304 1.00 0.00 C ATOM 253 CE1 TYR A 156 26.898 -15.289 -20.525 1.00 0.00 C ATOM 254 CE2 TYR A 156 25.652 -16.392 -18.749 1.00 0.00 C ATOM 255 CZ TYR A 156 26.510 -16.465 -19.860 1.00 0.00 C ATOM 256 OH TYR A 156 26.966 -17.676 -20.289 1.00 0.00 O ATOM 0 H TYR A 156 24.365 -10.632 -17.285 1.00 0.00 H new ATOM 0 HA TYR A 156 26.211 -12.662 -16.682 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.069 -12.761 -18.047 1.00 0.00 H new ATOM 0 HB3 TYR A 156 24.930 -11.968 -19.352 1.00 0.00 H new ATOM 0 HD1 TYR A 156 26.724 -13.139 -20.595 1.00 0.00 H new ATOM 0 HD2 TYR A 156 24.524 -15.091 -17.450 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.559 -15.344 -21.377 1.00 0.00 H new ATOM 0 HE2 TYR A 156 25.354 -17.295 -18.237 1.00 0.00 H new ATOM 0 HH TYR A 156 26.602 -18.384 -19.717 1.00 0.00 H new ATOM 266 N GLN A 157 27.238 -10.489 -18.966 1.00 0.00 N ATOM 267 CA GLN A 157 28.414 -9.987 -19.658 1.00 0.00 C ATOM 268 C GLN A 157 29.400 -9.389 -18.654 1.00 0.00 C ATOM 269 O GLN A 157 30.587 -9.714 -18.679 1.00 0.00 O ATOM 270 CB GLN A 157 27.975 -8.938 -20.685 1.00 0.00 C ATOM 271 CG GLN A 157 29.185 -8.465 -21.498 1.00 0.00 C ATOM 272 CD GLN A 157 28.774 -7.444 -22.554 1.00 0.00 C ATOM 273 OE1 GLN A 157 27.588 -7.232 -22.793 1.00 0.00 O ATOM 274 NE2 GLN A 157 29.760 -6.810 -23.188 1.00 0.00 N ATOM 0 H GLN A 157 26.380 -9.981 -19.181 1.00 0.00 H new ATOM 0 HA GLN A 157 28.918 -10.804 -20.175 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.222 -9.361 -21.350 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.513 -8.091 -20.178 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.925 -8.024 -20.830 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.660 -9.320 -21.980 1.00 0.00 H new ATOM 0 HE21 GLN A 157 30.732 -7.018 -22.957 1.00 0.00 H new ATOM 0 HE22 GLN A 157 29.543 -6.117 -23.904 1.00 0.00 H new ATOM 283 N ALA A 158 28.907 -8.513 -17.772 1.00 0.00 N ATOM 284 CA ALA A 158 29.744 -7.863 -16.776 1.00 0.00 C ATOM 285 C ALA A 158 30.449 -8.907 -15.909 1.00 0.00 C ATOM 286 O ALA A 158 31.623 -8.757 -15.597 1.00 0.00 O ATOM 287 CB ALA A 158 28.880 -6.942 -15.915 1.00 0.00 C ATOM 0 H ALA A 158 27.925 -8.241 -17.734 1.00 0.00 H new ATOM 0 HA ALA A 158 30.509 -7.270 -17.277 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.504 -6.453 -15.167 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.411 -6.187 -16.547 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.108 -7.528 -15.417 1.00 0.00 H new ATOM 293 N HIS A 159 29.727 -9.963 -15.523 1.00 0.00 N ATOM 294 CA HIS A 159 30.278 -11.018 -14.689 1.00 0.00 C ATOM 295 C HIS A 159 31.332 -11.810 -15.463 1.00 0.00 C ATOM 296 O HIS A 159 32.325 -12.238 -14.891 1.00 0.00 O ATOM 297 CB HIS A 159 29.145 -11.935 -14.219 1.00 0.00 C ATOM 298 CG HIS A 159 29.599 -12.966 -13.216 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.433 -14.030 -13.545 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.348 -13.121 -11.878 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.621 -14.740 -12.415 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.986 -14.236 -11.360 1.00 0.00 N ATOM 0 H HIS A 159 28.750 -10.104 -15.782 1.00 0.00 H new ATOM 0 HA HIS A 159 30.762 -10.577 -13.817 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.354 -11.329 -13.776 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.713 -12.441 -15.082 1.00 0.00 H new ATOM 0 HD2 HIS A 159 28.728 -12.454 -11.297 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.228 -15.632 -12.370 1.00 0.00 H new ATOM 0 HE2 HIS A 159 29.972 -14.586 -10.402 1.00 0.00 H new ATOM 310 N LYS A 160 31.119 -12.010 -16.766 1.00 0.00 N ATOM 311 CA LYS A 160 32.063 -12.754 -17.586 1.00 0.00 C ATOM 312 C LYS A 160 33.409 -12.024 -17.637 1.00 0.00 C ATOM 313 O LYS A 160 34.453 -12.664 -17.754 1.00 0.00 O ATOM 314 CB LYS A 160 31.481 -12.933 -18.995 1.00 0.00 C ATOM 315 CG LYS A 160 32.428 -13.783 -19.850 1.00 0.00 C ATOM 316 CD LYS A 160 31.752 -14.117 -21.185 1.00 0.00 C ATOM 317 CE LYS A 160 32.769 -14.744 -22.147 1.00 0.00 C ATOM 318 NZ LYS A 160 33.287 -16.022 -21.624 1.00 0.00 N ATOM 0 H LYS A 160 30.302 -11.666 -17.270 1.00 0.00 H new ATOM 0 HA LYS A 160 32.232 -13.738 -17.148 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.503 -13.412 -18.935 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.331 -11.959 -19.462 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.359 -13.243 -20.027 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.687 -14.701 -19.322 1.00 0.00 H new ATOM 0 HD2 LYS A 160 30.923 -14.805 -21.020 1.00 0.00 H new ATOM 0 HD3 LYS A 160 31.332 -13.213 -21.626 1.00 0.00 H new ATOM 0 HE2 LYS A 160 32.300 -14.909 -23.117 1.00 0.00 H new ATOM 0 HE3 LYS A 160 33.596 -14.052 -22.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 33.880 -16.478 -22.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 33.856 -15.843 -20.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 32.491 -16.647 -21.384 1.00 0.00 H new ATOM 332 N ARG A 161 33.382 -10.688 -17.558 1.00 0.00 N ATOM 333 CA ARG A 161 34.592 -9.883 -17.633 1.00 0.00 C ATOM 334 C ARG A 161 35.192 -9.657 -16.238 1.00 0.00 C ATOM 335 O ARG A 161 36.397 -9.829 -16.051 1.00 0.00 O ATOM 336 CB ARG A 161 34.245 -8.543 -18.303 1.00 0.00 C ATOM 337 CG ARG A 161 35.484 -7.633 -18.402 1.00 0.00 C ATOM 338 CD ARG A 161 36.558 -8.275 -19.292 1.00 0.00 C ATOM 339 NE ARG A 161 37.435 -9.157 -18.512 1.00 0.00 N ATOM 340 CZ ARG A 161 38.424 -9.883 -19.057 1.00 0.00 C ATOM 341 NH1 ARG A 161 38.682 -9.792 -20.369 1.00 0.00 N ATOM 342 NH2 ARG A 161 39.152 -10.700 -18.286 1.00 0.00 N ATOM 0 H ARG A 161 32.526 -10.145 -17.441 1.00 0.00 H new ATOM 0 HA ARG A 161 35.343 -10.407 -18.224 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.843 -8.725 -19.300 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.465 -8.039 -17.732 1.00 0.00 H new ATOM 0 HG2 ARG A 161 35.198 -6.664 -18.810 1.00 0.00 H new ATOM 0 HG3 ARG A 161 35.890 -7.453 -17.406 1.00 0.00 H new ATOM 0 HD2 ARG A 161 36.081 -8.845 -20.089 1.00 0.00 H new ATOM 0 HD3 ARG A 161 37.152 -7.496 -19.769 1.00 0.00 H new ATOM 0 HE ARG A 161 37.285 -9.221 -17.505 1.00 0.00 H new ATOM 0 HH11 ARG A 161 38.126 -9.170 -20.956 1.00 0.00 H new ATOM 0 HH12 ARG A 161 39.434 -10.345 -20.780 1.00 0.00 H new ATOM 0 HH21 ARG A 161 38.955 -10.769 -17.288 1.00 0.00 H new ATOM 0 HH22 ARG A 161 39.904 -11.253 -18.697 1.00 0.00 H new ATOM 356 N LEU A 162 34.359 -9.252 -15.271 1.00 0.00 N ATOM 357 CA LEU A 162 34.826 -8.920 -13.928 1.00 0.00 C ATOM 358 C LEU A 162 34.741 -10.131 -12.998 1.00 0.00 C ATOM 359 O LEU A 162 35.735 -10.501 -12.376 1.00 0.00 O ATOM 360 CB LEU A 162 33.982 -7.760 -13.372 1.00 0.00 C ATOM 361 CG LEU A 162 34.015 -6.554 -14.327 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.080 -5.467 -13.793 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.438 -5.993 -14.424 1.00 0.00 C ATOM 0 H LEU A 162 33.353 -9.147 -15.400 1.00 0.00 H new ATOM 0 HA LEU A 162 35.872 -8.620 -13.984 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.953 -8.089 -13.230 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.361 -7.465 -12.393 1.00 0.00 H new ATOM 0 HG LEU A 162 33.692 -6.874 -15.318 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.098 -4.609 -14.465 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.065 -5.858 -13.732 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.410 -5.158 -12.801 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.447 -5.140 -15.103 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.772 -5.674 -13.436 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.108 -6.765 -14.802 1.00 0.00 H new ATOM 375 N GLY A 163 33.550 -10.734 -12.894 1.00 0.00 N ATOM 376 CA GLY A 163 33.318 -11.870 -12.009 1.00 0.00 C ATOM 377 C GLY A 163 32.226 -11.515 -11.010 1.00 0.00 C ATOM 378 O GLY A 163 31.256 -10.847 -11.363 1.00 0.00 O ATOM 0 H GLY A 163 32.726 -10.445 -13.421 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.025 -12.744 -12.590 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.237 -12.130 -11.484 1.00 0.00 H new ATOM 382 N ASN A 164 32.385 -11.951 -9.754 1.00 0.00 N ATOM 383 CA ASN A 164 31.409 -11.666 -8.706 1.00 0.00 C ATOM 384 C ASN A 164 31.659 -10.277 -8.112 1.00 0.00 C ATOM 385 O ASN A 164 31.381 -10.049 -6.936 1.00 0.00 O ATOM 386 CB ASN A 164 31.496 -12.735 -7.609 1.00 0.00 C ATOM 387 CG ASN A 164 31.331 -14.139 -8.185 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.213 -14.629 -8.316 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.446 -14.787 -8.526 1.00 0.00 N ATOM 0 H ASN A 164 33.184 -12.504 -9.443 1.00 0.00 H new ATOM 0 HA ASN A 164 30.409 -11.683 -9.140 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.457 -12.659 -7.101 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.724 -12.554 -6.861 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.390 -15.729 -8.913 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.354 -14.340 -8.400 1.00 0.00 H new ATOM 396 N ARG A 165 32.181 -9.344 -8.924 1.00 0.00 N ATOM 397 CA ARG A 165 32.445 -7.991 -8.469 1.00 0.00 C ATOM 398 C ARG A 165 31.150 -7.191 -8.508 1.00 0.00 C ATOM 399 O ARG A 165 31.006 -6.264 -9.309 1.00 0.00 O ATOM 400 CB ARG A 165 33.512 -7.341 -9.356 1.00 0.00 C ATOM 401 CG ARG A 165 34.896 -7.905 -9.014 1.00 0.00 C ATOM 402 CD ARG A 165 35.985 -6.998 -9.604 1.00 0.00 C ATOM 403 NE ARG A 165 35.905 -5.634 -9.052 1.00 0.00 N ATOM 404 CZ ARG A 165 36.328 -5.305 -7.817 1.00 0.00 C ATOM 405 NH1 ARG A 165 36.920 -6.222 -7.038 1.00 0.00 N ATOM 406 NH2 ARG A 165 36.157 -4.057 -7.363 1.00 0.00 N ATOM 0 H ARG A 165 32.425 -9.513 -9.900 1.00 0.00 H new ATOM 0 HA ARG A 165 32.820 -8.011 -7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.285 -7.525 -10.406 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.506 -6.260 -9.213 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.014 -7.975 -7.933 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.996 -8.915 -9.411 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.967 -7.421 -9.392 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.881 -6.960 -10.688 1.00 0.00 H new ATOM 0 HE ARG A 165 35.508 -4.899 -9.637 1.00 0.00 H new ATOM 0 HH11 ARG A 165 37.052 -7.174 -7.380 1.00 0.00 H new ATOM 0 HH12 ARG A 165 37.239 -5.968 -6.103 1.00 0.00 H new ATOM 0 HH21 ARG A 165 35.707 -3.357 -7.953 1.00 0.00 H new ATOM 0 HH22 ARG A 165 36.477 -3.806 -6.427 1.00 0.00 H new ATOM 420 N TRP A 166 30.204 -7.553 -7.636 1.00 0.00 N ATOM 421 CA TRP A 166 28.922 -6.875 -7.568 1.00 0.00 C ATOM 422 C TRP A 166 29.122 -5.408 -7.224 1.00 0.00 C ATOM 423 O TRP A 166 28.253 -4.612 -7.483 1.00 0.00 O ATOM 424 CB TRP A 166 28.028 -7.538 -6.527 1.00 0.00 C ATOM 425 CG TRP A 166 28.128 -9.020 -6.469 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.604 -9.704 -5.433 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.767 -10.018 -7.467 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.579 -11.055 -5.676 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.066 -11.312 -6.934 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.218 -9.975 -8.770 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.839 -12.487 -7.649 1.00 0.00 C ATOM 432 CZ3 TRP A 166 26.988 -11.162 -9.496 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.304 -12.413 -8.937 1.00 0.00 C ATOM 0 H TRP A 166 30.310 -8.316 -6.968 1.00 0.00 H new ATOM 0 HA TRP A 166 28.439 -6.946 -8.542 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.276 -7.133 -5.546 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.993 -7.266 -6.732 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.964 -9.255 -4.519 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.895 -11.769 -5.020 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.972 -9.022 -9.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.075 -13.446 -7.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.566 -11.110 -10.489 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.133 -13.316 -9.504 1.00 0.00 H new ATOM 444 N ALA A 167 30.269 -5.049 -6.642 1.00 0.00 N ATOM 445 CA ALA A 167 30.548 -3.663 -6.310 1.00 0.00 C ATOM 446 C ALA A 167 30.491 -2.809 -7.580 1.00 0.00 C ATOM 447 O ALA A 167 29.957 -1.703 -7.561 1.00 0.00 O ATOM 448 CB ALA A 167 31.926 -3.567 -5.654 1.00 0.00 C ATOM 0 H ALA A 167 31.013 -5.702 -6.394 1.00 0.00 H new ATOM 0 HA ALA A 167 29.800 -3.291 -5.610 1.00 0.00 H new ATOM 0 HB1 ALA A 167 32.138 -2.528 -5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.939 -4.169 -4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.684 -3.936 -6.345 1.00 0.00 H new ATOM 454 N GLU A 168 31.043 -3.332 -8.685 1.00 0.00 N ATOM 455 CA GLU A 168 31.067 -2.619 -9.953 1.00 0.00 C ATOM 456 C GLU A 168 29.689 -2.687 -10.614 1.00 0.00 C ATOM 457 O GLU A 168 29.132 -1.662 -11.003 1.00 0.00 O ATOM 458 CB GLU A 168 32.129 -3.237 -10.878 1.00 0.00 C ATOM 459 CG GLU A 168 33.472 -3.398 -10.146 1.00 0.00 C ATOM 460 CD GLU A 168 33.998 -2.069 -9.619 1.00 0.00 C ATOM 461 OE1 GLU A 168 33.736 -1.044 -10.282 1.00 0.00 O ATOM 462 OE2 GLU A 168 34.660 -2.110 -8.558 1.00 0.00 O ATOM 0 H GLU A 168 31.479 -4.253 -8.717 1.00 0.00 H new ATOM 0 HA GLU A 168 31.320 -1.574 -9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 168 31.786 -4.209 -11.233 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.263 -2.606 -11.756 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.351 -4.095 -9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.205 -3.834 -10.825 1.00 0.00 H new ATOM 469 N ILE A 169 29.145 -3.903 -10.746 1.00 0.00 N ATOM 470 CA ILE A 169 27.847 -4.112 -11.382 1.00 0.00 C ATOM 471 C ILE A 169 26.767 -3.300 -10.648 1.00 0.00 C ATOM 472 O ILE A 169 25.884 -2.721 -11.277 1.00 0.00 O ATOM 473 CB ILE A 169 27.510 -5.616 -11.373 1.00 0.00 C ATOM 474 CG1 ILE A 169 28.604 -6.414 -12.112 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.167 -5.848 -12.075 1.00 0.00 C ATOM 476 CD1 ILE A 169 28.744 -7.809 -11.495 1.00 0.00 C ATOM 0 H ILE A 169 29.590 -4.760 -10.417 1.00 0.00 H new ATOM 0 HA ILE A 169 27.883 -3.769 -12.416 1.00 0.00 H new ATOM 0 HB ILE A 169 27.453 -5.953 -10.338 1.00 0.00 H new ATOM 0 HG12 ILE A 169 28.352 -6.499 -13.169 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.555 -5.884 -12.052 1.00 0.00 H new ATOM 0 HG21 ILE A 169 25.931 -6.912 -12.067 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.384 -5.299 -11.552 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.230 -5.498 -13.105 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.519 -8.365 -12.024 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.017 -7.716 -10.444 1.00 0.00 H new ATOM 0 HD13 ILE A 169 27.796 -8.340 -11.578 1.00 0.00 H new ATOM 488 N ALA A 170 26.850 -3.264 -9.315 1.00 0.00 N ATOM 489 CA ALA A 170 25.898 -2.543 -8.483 1.00 0.00 C ATOM 490 C ALA A 170 26.022 -1.040 -8.727 1.00 0.00 C ATOM 491 O ALA A 170 25.015 -0.346 -8.811 1.00 0.00 O ATOM 492 CB ALA A 170 26.150 -2.879 -7.008 1.00 0.00 C ATOM 0 H ALA A 170 27.583 -3.737 -8.787 1.00 0.00 H new ATOM 0 HA ALA A 170 24.884 -2.847 -8.743 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.437 -2.339 -6.385 1.00 0.00 H new ATOM 0 HB2 ALA A 170 26.028 -3.951 -6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 170 27.164 -2.586 -6.736 1.00 0.00 H new ATOM 498 N LYS A 171 27.258 -0.537 -8.850 1.00 0.00 N ATOM 499 CA LYS A 171 27.484 0.878 -9.118 1.00 0.00 C ATOM 500 C LYS A 171 26.875 1.241 -10.472 1.00 0.00 C ATOM 501 O LYS A 171 26.319 2.326 -10.631 1.00 0.00 O ATOM 502 CB LYS A 171 28.988 1.179 -9.100 1.00 0.00 C ATOM 503 CG LYS A 171 29.487 1.279 -7.654 1.00 0.00 C ATOM 504 CD LYS A 171 29.266 2.700 -7.123 1.00 0.00 C ATOM 505 CE LYS A 171 29.777 2.794 -5.683 1.00 0.00 C ATOM 506 NZ LYS A 171 29.590 4.153 -5.143 1.00 0.00 N ATOM 0 H LYS A 171 28.110 -1.092 -8.767 1.00 0.00 H new ATOM 0 HA LYS A 171 27.006 1.479 -8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.530 0.394 -9.627 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.187 2.112 -9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.958 0.561 -7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 171 30.546 1.024 -7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 171 29.788 3.420 -7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 171 28.206 2.953 -7.161 1.00 0.00 H new ATOM 0 HE2 LYS A 171 29.248 2.075 -5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 171 30.834 2.528 -5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 29.944 4.190 -4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 30.115 4.834 -5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 28.579 4.395 -5.154 1.00 0.00 H new ATOM 520 N LEU A 172 26.976 0.325 -11.445 1.00 0.00 N ATOM 521 CA LEU A 172 26.418 0.538 -12.773 1.00 0.00 C ATOM 522 C LEU A 172 24.888 0.443 -12.725 1.00 0.00 C ATOM 523 O LEU A 172 24.209 1.075 -13.532 1.00 0.00 O ATOM 524 CB LEU A 172 26.994 -0.502 -13.744 1.00 0.00 C ATOM 525 CG LEU A 172 28.482 -0.218 -14.009 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.149 -1.478 -14.564 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.626 0.919 -15.026 1.00 0.00 C ATOM 0 H LEU A 172 27.444 -0.574 -11.328 1.00 0.00 H new ATOM 0 HA LEU A 172 26.687 1.535 -13.123 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.876 -1.503 -13.328 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.440 -0.480 -14.682 1.00 0.00 H new ATOM 0 HG LEU A 172 28.961 0.073 -13.074 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.204 -1.278 -14.752 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.057 -2.288 -13.840 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.662 -1.767 -15.496 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.683 1.113 -15.207 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.144 0.634 -15.961 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.154 1.820 -14.634 1.00 0.00 H new ATOM 539 N LEU A 173 24.350 -0.347 -11.776 1.00 0.00 N ATOM 540 CA LEU A 173 22.906 -0.519 -11.620 1.00 0.00 C ATOM 541 C LEU A 173 22.480 -0.104 -10.200 1.00 0.00 C ATOM 542 O LEU A 173 22.180 -0.966 -9.367 1.00 0.00 O ATOM 543 CB LEU A 173 22.541 -1.990 -11.878 1.00 0.00 C ATOM 544 CG LEU A 173 22.899 -2.402 -13.317 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.745 -3.918 -13.459 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.967 -1.705 -14.315 1.00 0.00 C ATOM 0 H LEU A 173 24.905 -0.877 -11.104 1.00 0.00 H new ATOM 0 HA LEU A 173 22.382 0.112 -12.338 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.069 -2.629 -11.171 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.475 -2.139 -11.708 1.00 0.00 H new ATOM 0 HG LEU A 173 23.928 -2.109 -13.526 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.997 -4.216 -14.477 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.413 -4.419 -12.758 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.715 -4.201 -13.243 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.231 -2.005 -15.329 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.935 -1.990 -14.109 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.072 -0.624 -14.217 1.00 0.00 H new ATOM 558 N PRO A 174 22.447 1.217 -9.913 1.00 0.00 N ATOM 559 CA PRO A 174 22.077 1.723 -8.604 1.00 0.00 C ATOM 560 C PRO A 174 20.642 1.336 -8.248 1.00 0.00 C ATOM 561 O PRO A 174 20.331 1.126 -7.079 1.00 0.00 O ATOM 562 CB PRO A 174 22.234 3.245 -8.684 1.00 0.00 C ATOM 563 CG PRO A 174 22.554 3.584 -10.144 1.00 0.00 C ATOM 564 CD PRO A 174 22.776 2.256 -10.867 1.00 0.00 C ATOM 0 HA PRO A 174 22.707 1.299 -7.822 1.00 0.00 H new ATOM 0 HB2 PRO A 174 21.320 3.745 -8.363 1.00 0.00 H new ATOM 0 HB3 PRO A 174 23.032 3.586 -8.025 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.735 4.140 -10.600 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.442 4.213 -10.209 1.00 0.00 H new ATOM 0 HD2 PRO A 174 22.145 2.185 -11.753 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.809 2.163 -11.203 1.00 0.00 H new ATOM 572 N GLY A 175 19.766 1.241 -9.259 1.00 0.00 N ATOM 573 CA GLY A 175 18.368 0.894 -9.044 1.00 0.00 C ATOM 574 C GLY A 175 18.193 -0.607 -8.775 1.00 0.00 C ATOM 575 O GLY A 175 17.063 -1.096 -8.764 1.00 0.00 O ATOM 0 H GLY A 175 20.011 1.402 -10.236 1.00 0.00 H new ATOM 0 HA2 GLY A 175 17.977 1.463 -8.201 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.783 1.178 -9.919 1.00 0.00 H new ATOM 579 N ARG A 176 19.302 -1.336 -8.562 1.00 0.00 N ATOM 580 CA ARG A 176 19.256 -2.768 -8.287 1.00 0.00 C ATOM 581 C ARG A 176 20.051 -3.072 -7.016 1.00 0.00 C ATOM 582 O ARG A 176 19.582 -3.820 -6.169 1.00 0.00 O ATOM 583 CB ARG A 176 19.834 -3.550 -9.476 1.00 0.00 C ATOM 584 CG ARG A 176 19.098 -3.200 -10.782 1.00 0.00 C ATOM 585 CD ARG A 176 17.692 -3.810 -10.790 1.00 0.00 C ATOM 586 NE ARG A 176 17.009 -3.516 -12.060 1.00 0.00 N ATOM 587 CZ ARG A 176 16.196 -2.456 -12.247 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.953 -1.589 -11.253 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.629 -2.267 -13.442 1.00 0.00 N ATOM 0 H ARG A 176 20.244 -0.946 -8.577 1.00 0.00 H new ATOM 0 HA ARG A 176 18.220 -3.074 -8.140 1.00 0.00 H new ATOM 0 HB2 ARG A 176 20.895 -3.325 -9.582 1.00 0.00 H new ATOM 0 HB3 ARG A 176 19.753 -4.620 -9.285 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.031 -2.117 -10.889 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.666 -3.570 -11.636 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.756 -4.889 -10.646 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.112 -3.412 -9.958 1.00 0.00 H new ATOM 0 HE ARG A 176 17.159 -4.151 -12.844 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.385 -1.726 -10.339 1.00 0.00 H new ATOM 0 HH12 ARG A 176 15.336 -0.792 -11.411 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.812 -2.921 -14.203 1.00 0.00 H new ATOM 0 HH22 ARG A 176 15.013 -1.469 -13.594 1.00 0.00 H new ATOM 603 N THR A 177 21.257 -2.480 -6.904 1.00 0.00 N ATOM 604 CA THR A 177 22.167 -2.663 -5.759 1.00 0.00 C ATOM 605 C THR A 177 22.729 -4.091 -5.730 1.00 0.00 C ATOM 606 O THR A 177 22.124 -5.027 -6.258 1.00 0.00 O ATOM 607 CB THR A 177 21.501 -2.298 -4.409 1.00 0.00 C ATOM 608 OG1 THR A 177 20.758 -3.389 -3.905 1.00 0.00 O ATOM 609 CG2 THR A 177 20.590 -1.076 -4.567 1.00 0.00 C ATOM 0 H THR A 177 21.630 -1.853 -7.617 1.00 0.00 H new ATOM 0 HA THR A 177 22.996 -1.969 -5.897 1.00 0.00 H new ATOM 0 HB THR A 177 22.293 -2.057 -3.700 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.974 -3.541 -4.473 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.132 -0.837 -3.607 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.179 -0.225 -4.910 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.810 -1.295 -5.296 1.00 0.00 H new ATOM 617 N ASP A 178 23.908 -4.242 -5.107 1.00 0.00 N ATOM 618 CA ASP A 178 24.601 -5.519 -5.021 1.00 0.00 C ATOM 619 C ASP A 178 23.725 -6.577 -4.356 1.00 0.00 C ATOM 620 O ASP A 178 23.811 -7.741 -4.703 1.00 0.00 O ATOM 621 CB ASP A 178 25.908 -5.337 -4.232 1.00 0.00 C ATOM 622 CG ASP A 178 25.704 -5.626 -2.748 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.106 -4.758 -2.077 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.143 -6.718 -2.315 1.00 0.00 O ATOM 0 H ASP A 178 24.402 -3.475 -4.650 1.00 0.00 H new ATOM 0 HA ASP A 178 24.828 -5.862 -6.030 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.673 -6.002 -4.633 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.273 -4.318 -4.359 1.00 0.00 H new ATOM 629 N ASN A 179 22.896 -6.173 -3.392 1.00 0.00 N ATOM 630 CA ASN A 179 22.052 -7.106 -2.664 1.00 0.00 C ATOM 631 C ASN A 179 21.147 -7.870 -3.628 1.00 0.00 C ATOM 632 O ASN A 179 21.149 -9.101 -3.637 1.00 0.00 O ATOM 633 CB ASN A 179 21.222 -6.341 -1.626 1.00 0.00 C ATOM 634 CG ASN A 179 21.957 -6.245 -0.291 1.00 0.00 C ATOM 635 OD1 ASN A 179 21.438 -6.679 0.734 1.00 0.00 O ATOM 636 ND2 ASN A 179 23.166 -5.679 -0.296 1.00 0.00 N ATOM 0 H ASN A 179 22.795 -5.201 -3.101 1.00 0.00 H new ATOM 0 HA ASN A 179 22.680 -7.832 -2.148 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.005 -5.339 -1.997 1.00 0.00 H new ATOM 0 HB3 ASN A 179 20.265 -6.842 -1.482 1.00 0.00 H new ATOM 0 HD21 ASN A 179 23.693 -5.595 0.573 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.562 -5.331 -1.169 1.00 0.00 H new ATOM 643 N ALA A 180 20.370 -7.142 -4.437 1.00 0.00 N ATOM 644 CA ALA A 180 19.445 -7.762 -5.372 1.00 0.00 C ATOM 645 C ALA A 180 20.200 -8.601 -6.401 1.00 0.00 C ATOM 646 O ALA A 180 19.814 -9.736 -6.669 1.00 0.00 O ATOM 647 CB ALA A 180 18.621 -6.682 -6.070 1.00 0.00 C ATOM 0 H ALA A 180 20.369 -6.122 -4.458 1.00 0.00 H new ATOM 0 HA ALA A 180 18.776 -8.423 -4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 180 17.928 -7.149 -6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.059 -6.116 -5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.286 -6.010 -6.611 1.00 0.00 H new ATOM 653 N ILE A 181 21.270 -8.041 -6.985 1.00 0.00 N ATOM 654 CA ILE A 181 22.037 -8.735 -8.016 1.00 0.00 C ATOM 655 C ILE A 181 22.639 -10.025 -7.455 1.00 0.00 C ATOM 656 O ILE A 181 22.456 -11.096 -8.025 1.00 0.00 O ATOM 657 CB ILE A 181 23.153 -7.818 -8.544 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.553 -6.555 -9.178 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.962 -8.575 -9.602 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.581 -5.422 -9.146 1.00 0.00 C ATOM 0 H ILE A 181 21.619 -7.110 -6.757 1.00 0.00 H new ATOM 0 HA ILE A 181 21.368 -8.992 -8.837 1.00 0.00 H new ATOM 0 HB ILE A 181 23.796 -7.526 -7.714 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.255 -6.759 -10.206 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.654 -6.258 -8.639 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.756 -7.932 -9.982 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.400 -9.467 -9.155 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.306 -8.865 -10.423 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.151 -4.528 -9.597 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.857 -5.211 -8.113 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.468 -5.720 -9.705 1.00 0.00 H new ATOM 672 N LYS A 182 23.365 -9.903 -6.345 1.00 0.00 N ATOM 673 CA LYS A 182 24.037 -11.023 -5.707 1.00 0.00 C ATOM 674 C LYS A 182 23.044 -12.141 -5.395 1.00 0.00 C ATOM 675 O LYS A 182 23.263 -13.288 -5.778 1.00 0.00 O ATOM 676 CB LYS A 182 24.709 -10.508 -4.429 1.00 0.00 C ATOM 677 CG LYS A 182 25.438 -11.643 -3.704 1.00 0.00 C ATOM 678 CD LYS A 182 26.364 -11.054 -2.628 1.00 0.00 C ATOM 679 CE LYS A 182 25.536 -10.463 -1.473 1.00 0.00 C ATOM 680 NZ LYS A 182 26.007 -9.109 -1.113 1.00 0.00 N ATOM 0 H LYS A 182 23.502 -9.015 -5.863 1.00 0.00 H new ATOM 0 HA LYS A 182 24.789 -11.441 -6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.415 -9.716 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 182 23.960 -10.071 -3.769 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.716 -12.319 -3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.018 -12.230 -4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.029 -11.829 -2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 182 26.994 -10.280 -3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 182 24.485 -10.421 -1.760 1.00 0.00 H new ATOM 0 HE3 LYS A 182 25.602 -11.117 -0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 25.524 -8.792 -0.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 27.033 -9.131 -0.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 25.796 -8.450 -1.889 1.00 0.00 H new ATOM 694 N ASN A 183 21.956 -11.806 -4.694 1.00 0.00 N ATOM 695 CA ASN A 183 20.948 -12.789 -4.316 1.00 0.00 C ATOM 696 C ASN A 183 20.361 -13.450 -5.563 1.00 0.00 C ATOM 697 O ASN A 183 20.319 -14.676 -5.654 1.00 0.00 O ATOM 698 CB ASN A 183 19.845 -12.103 -3.500 1.00 0.00 C ATOM 699 CG ASN A 183 20.368 -11.603 -2.154 1.00 0.00 C ATOM 700 OD1 ASN A 183 21.539 -11.787 -1.825 1.00 0.00 O ATOM 701 ND2 ASN A 183 19.495 -10.966 -1.374 1.00 0.00 N ATOM 0 H ASN A 183 21.755 -10.857 -4.378 1.00 0.00 H new ATOM 0 HA ASN A 183 21.411 -13.564 -3.705 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.440 -11.265 -4.067 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.025 -12.802 -3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 183 19.789 -10.609 -0.465 1.00 0.00 H new ATOM 0 HD22 ASN A 183 18.533 -10.835 -1.686 1.00 0.00 H new ATOM 708 N HIS A 184 19.908 -12.633 -6.520 1.00 0.00 N ATOM 709 CA HIS A 184 19.308 -13.129 -7.750 1.00 0.00 C ATOM 710 C HIS A 184 20.249 -14.100 -8.458 1.00 0.00 C ATOM 711 O HIS A 184 19.840 -15.193 -8.833 1.00 0.00 O ATOM 712 CB HIS A 184 18.984 -11.944 -8.661 1.00 0.00 C ATOM 713 CG HIS A 184 18.746 -12.354 -10.092 1.00 0.00 C ATOM 714 ND1 HIS A 184 17.794 -13.300 -10.457 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.330 -11.967 -11.272 1.00 0.00 C ATOM 716 CE1 HIS A 184 17.862 -13.419 -11.798 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.783 -12.634 -12.356 1.00 0.00 N ATOM 0 H HIS A 184 19.949 -11.616 -6.459 1.00 0.00 H new ATOM 0 HA HIS A 184 18.391 -13.667 -7.509 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.099 -11.432 -8.283 1.00 0.00 H new ATOM 0 HB3 HIS A 184 19.806 -11.229 -8.625 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.119 -11.233 -11.346 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.231 -14.086 -12.366 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.026 -12.546 -13.343 1.00 0.00 H new ATOM 725 N TRP A 185 21.501 -13.695 -8.652 1.00 0.00 N ATOM 726 CA TRP A 185 22.468 -14.512 -9.355 1.00 0.00 C ATOM 727 C TRP A 185 22.716 -15.824 -8.612 1.00 0.00 C ATOM 728 O TRP A 185 22.623 -16.895 -9.201 1.00 0.00 O ATOM 729 CB TRP A 185 23.771 -13.728 -9.508 1.00 0.00 C ATOM 730 CG TRP A 185 24.826 -14.428 -10.305 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.645 -15.391 -9.849 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.201 -14.235 -11.701 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.506 -15.813 -10.831 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.276 -15.130 -12.009 1.00 0.00 C ATOM 735 CE3 TRP A 185 24.750 -13.397 -12.743 1.00 0.00 C ATOM 736 CZ2 TRP A 185 26.865 -15.185 -13.274 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.341 -13.451 -14.022 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.395 -14.341 -14.285 1.00 0.00 C ATOM 0 H TRP A 185 21.865 -12.799 -8.327 1.00 0.00 H new ATOM 0 HA TRP A 185 22.075 -14.759 -10.341 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.551 -12.771 -9.981 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.168 -13.510 -8.516 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.628 -15.781 -8.842 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.218 -16.533 -10.708 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.941 -12.705 -12.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.675 -15.872 -13.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 24.980 -12.802 -14.806 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.842 -14.374 -15.267 1.00 0.00 H new ATOM 749 N ASN A 186 23.046 -15.734 -7.323 1.00 0.00 N ATOM 750 CA ASN A 186 23.373 -16.904 -6.520 1.00 0.00 C ATOM 751 C ASN A 186 22.217 -17.907 -6.488 1.00 0.00 C ATOM 752 O ASN A 186 22.454 -19.116 -6.512 1.00 0.00 O ATOM 753 CB ASN A 186 23.730 -16.457 -5.097 1.00 0.00 C ATOM 754 CG ASN A 186 25.046 -15.678 -5.068 1.00 0.00 C ATOM 755 OD1 ASN A 186 25.692 -15.495 -6.097 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.443 -15.219 -3.881 1.00 0.00 N ATOM 0 H ASN A 186 23.093 -14.852 -6.812 1.00 0.00 H new ATOM 0 HA ASN A 186 24.227 -17.407 -6.974 1.00 0.00 H new ATOM 0 HB2 ASN A 186 22.929 -15.835 -4.698 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.808 -17.330 -4.449 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.314 -14.693 -3.803 1.00 0.00 H new ATOM 0 HD22 ASN A 186 24.876 -15.393 -3.051 1.00 0.00 H new ATOM 763 N SER A 187 20.977 -17.418 -6.420 1.00 0.00 N ATOM 764 CA SER A 187 19.813 -18.289 -6.331 1.00 0.00 C ATOM 765 C SER A 187 19.354 -18.759 -7.715 1.00 0.00 C ATOM 766 O SER A 187 19.265 -19.960 -7.960 1.00 0.00 O ATOM 767 CB SER A 187 18.684 -17.538 -5.622 1.00 0.00 C ATOM 768 OG SER A 187 19.092 -17.196 -4.313 1.00 0.00 O ATOM 0 H SER A 187 20.757 -16.422 -6.425 1.00 0.00 H new ATOM 0 HA SER A 187 20.084 -19.178 -5.761 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.425 -16.638 -6.180 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.788 -18.158 -5.584 1.00 0.00 H new ATOM 0 HG SER A 187 19.578 -16.345 -4.334 1.00 0.00 H new ATOM 774 N THR A 188 19.038 -17.814 -8.605 1.00 0.00 N ATOM 775 CA THR A 188 18.487 -18.129 -9.917 1.00 0.00 C ATOM 776 C THR A 188 19.569 -18.557 -10.915 1.00 0.00 C ATOM 777 O THR A 188 19.430 -19.598 -11.554 1.00 0.00 O ATOM 778 CB THR A 188 17.733 -16.899 -10.446 1.00 0.00 C ATOM 779 OG1 THR A 188 16.904 -16.377 -9.427 1.00 0.00 O ATOM 780 CG2 THR A 188 16.871 -17.293 -11.647 1.00 0.00 C ATOM 0 H THR A 188 19.158 -16.816 -8.434 1.00 0.00 H new ATOM 0 HA THR A 188 17.807 -18.974 -9.808 1.00 0.00 H new ATOM 0 HB THR A 188 18.456 -16.144 -10.753 1.00 0.00 H new ATOM 0 HG1 THR A 188 16.937 -15.398 -9.448 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.339 -16.416 -12.017 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.508 -17.691 -12.437 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.151 -18.053 -11.344 1.00 0.00 H new ATOM 788 N MET A 189 20.626 -17.749 -11.073 1.00 0.00 N ATOM 789 CA MET A 189 21.656 -18.019 -12.075 1.00 0.00 C ATOM 790 C MET A 189 22.793 -18.859 -11.478 1.00 0.00 C ATOM 791 O MET A 189 22.563 -19.988 -11.050 1.00 0.00 O ATOM 792 CB MET A 189 22.173 -16.690 -12.645 1.00 0.00 C ATOM 793 CG MET A 189 21.009 -15.892 -13.250 1.00 0.00 C ATOM 794 SD MET A 189 21.482 -14.271 -13.909 1.00 0.00 S ATOM 795 CE MET A 189 22.629 -14.801 -15.204 1.00 0.00 C ATOM 0 H MET A 189 20.787 -16.907 -10.520 1.00 0.00 H new ATOM 0 HA MET A 189 21.224 -18.601 -12.889 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.653 -16.109 -11.858 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.929 -16.881 -13.407 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.558 -16.479 -14.050 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.244 -15.752 -12.487 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.955 -13.934 -15.778 1.00 0.00 H new ATOM 0 HE2 MET A 189 23.495 -15.281 -14.749 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.129 -15.508 -15.866 1.00 0.00 H new ATOM 805 N ARG A 190 24.022 -18.307 -11.467 1.00 0.00 N ATOM 806 CA ARG A 190 25.199 -19.009 -10.967 1.00 0.00 C ATOM 807 C ARG A 190 25.440 -20.262 -11.811 1.00 0.00 C ATOM 808 O ARG A 190 25.442 -21.380 -11.295 1.00 0.00 O ATOM 809 CB ARG A 190 25.013 -19.343 -9.479 1.00 0.00 C ATOM 810 CG ARG A 190 26.343 -19.811 -8.869 1.00 0.00 C ATOM 811 CD ARG A 190 26.238 -19.817 -7.339 1.00 0.00 C ATOM 812 NE ARG A 190 24.914 -20.281 -6.897 1.00 0.00 N ATOM 813 CZ ARG A 190 24.507 -21.559 -6.977 1.00 0.00 C ATOM 814 NH1 ARG A 190 25.358 -22.523 -7.352 1.00 0.00 N ATOM 815 NH2 ARG A 190 23.238 -21.863 -6.681 1.00 0.00 N ATOM 0 H ARG A 190 24.216 -17.365 -11.805 1.00 0.00 H new ATOM 0 HA ARG A 190 26.081 -18.374 -11.052 1.00 0.00 H new ATOM 0 HB2 ARG A 190 24.649 -18.466 -8.945 1.00 0.00 H new ATOM 0 HB3 ARG A 190 24.259 -20.122 -9.365 1.00 0.00 H new ATOM 0 HG2 ARG A 190 26.588 -20.810 -9.230 1.00 0.00 H new ATOM 0 HG3 ARG A 190 27.151 -19.151 -9.185 1.00 0.00 H new ATOM 0 HD2 ARG A 190 27.010 -20.463 -6.922 1.00 0.00 H new ATOM 0 HD3 ARG A 190 26.421 -18.813 -6.956 1.00 0.00 H new ATOM 0 HE ARG A 190 24.268 -19.594 -6.508 1.00 0.00 H new ATOM 0 HH11 ARG A 190 26.324 -22.290 -7.580 1.00 0.00 H new ATOM 0 HH12 ARG A 190 25.040 -23.490 -7.410 1.00 0.00 H new ATOM 0 HH21 ARG A 190 22.590 -21.128 -6.398 1.00 0.00 H new ATOM 0 HH22 ARG A 190 22.918 -22.830 -6.738 1.00 0.00 H new