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 183 ASN : amide:sc= 0 X(o=0.013,f=0.013) USER MOD Set 1.2: A 187 SER OG : rot 86:sc= 0.0129 USER MOD Set 2.1: A 184 HIS : no HD1:sc= -0.0362 X(o=0.4,f=0.022) USER MOD Set 2.2: A 188 THR OG1 : rot 86:sc= 0.829 USER MOD Set 2.3: A 189 MET CE :methyl -135:sc= -0.397 (180deg=-1.31) USER MOD Set 3.1: A 159 HIS : no HE2:sc= 0 K(o=0.078,f=-1.4) USER MOD Set 3.2: A 164 ASN : amide:sc= 0.0779 K(o=0.078,f=-2.3!) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0.199 K(o=0.2,f=-8.2!) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 LYS NZ :NH3+ -158:sc= 1.13 (180deg=0.303) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.0974 USER MOD Single : A 179 ASN : amide:sc= -0.0695 X(o=-0.069,f=-0.069) USER MOD Single : A 182 LYS NZ :NH3+ 150:sc= -0.0144 (180deg=-0.243) USER MOD Single : A 186 ASN : amide:sc= -0.0488 K(o=-0.049,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 12.973 -9.354 -12.756 1.00 0.00 N ATOM 89 CA TRP A 147 14.146 -9.291 -13.617 1.00 0.00 C ATOM 90 C TRP A 147 13.730 -9.537 -15.064 1.00 0.00 C ATOM 91 O TRP A 147 12.656 -10.083 -15.318 1.00 0.00 O ATOM 92 CB TRP A 147 15.170 -10.337 -13.163 1.00 0.00 C ATOM 93 CG TRP A 147 15.998 -9.926 -11.986 1.00 0.00 C ATOM 94 CD1 TRP A 147 15.823 -10.337 -10.718 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.139 -9.019 -11.943 1.00 0.00 C ATOM 96 NE1 TRP A 147 16.755 -9.767 -9.884 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.601 -8.936 -10.591 1.00 0.00 C ATOM 98 CE3 TRP A 147 17.839 -8.253 -12.904 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.686 -8.142 -10.216 1.00 0.00 C ATOM 100 CZ3 TRP A 147 18.935 -7.449 -12.528 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.356 -7.396 -11.188 1.00 0.00 C ATOM 0 HA TRP A 147 14.602 -8.303 -13.549 1.00 0.00 H new ATOM 0 HB2 TRP A 147 14.644 -11.259 -12.916 1.00 0.00 H new ATOM 0 HB3 TRP A 147 15.834 -10.563 -13.997 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.053 -11.023 -10.398 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.814 -9.935 -8.880 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.530 -8.284 -13.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.004 -8.105 -9.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.455 -6.869 -13.276 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.197 -6.779 -10.910 1.00 0.00 H new ATOM 112 N THR A 148 14.586 -9.128 -16.009 1.00 0.00 N ATOM 113 CA THR A 148 14.330 -9.303 -17.432 1.00 0.00 C ATOM 114 C THR A 148 15.604 -9.801 -18.104 1.00 0.00 C ATOM 115 O THR A 148 16.699 -9.410 -17.708 1.00 0.00 O ATOM 116 CB THR A 148 13.878 -7.971 -18.049 1.00 0.00 C ATOM 117 OG1 THR A 148 14.858 -6.981 -17.820 1.00 0.00 O ATOM 118 CG2 THR A 148 12.552 -7.527 -17.426 1.00 0.00 C ATOM 0 H THR A 148 15.472 -8.668 -15.802 1.00 0.00 H new ATOM 0 HA THR A 148 13.536 -10.034 -17.581 1.00 0.00 H new ATOM 0 HB THR A 148 13.743 -8.108 -19.122 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.566 -6.134 -18.217 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.240 -6.582 -17.870 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.791 -8.284 -17.613 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.680 -7.398 -16.351 1.00 0.00 H new ATOM 126 N GLU A 149 15.461 -10.667 -19.116 1.00 0.00 N ATOM 127 CA GLU A 149 16.605 -11.234 -19.818 1.00 0.00 C ATOM 128 C GLU A 149 17.549 -10.127 -20.290 1.00 0.00 C ATOM 129 O GLU A 149 18.756 -10.223 -20.100 1.00 0.00 O ATOM 130 CB GLU A 149 16.119 -12.068 -21.008 1.00 0.00 C ATOM 131 CG GLU A 149 17.250 -12.990 -21.482 1.00 0.00 C ATOM 132 CD GLU A 149 17.007 -13.475 -22.905 1.00 0.00 C ATOM 133 OE1 GLU A 149 15.827 -13.721 -23.231 1.00 0.00 O ATOM 134 OE2 GLU A 149 18.011 -13.586 -23.644 1.00 0.00 O ATOM 0 H GLU A 149 14.557 -10.987 -19.463 1.00 0.00 H new ATOM 0 HA GLU A 149 17.155 -11.879 -19.133 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.250 -12.659 -20.721 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.805 -11.413 -21.821 1.00 0.00 H new ATOM 0 HG2 GLU A 149 18.200 -12.458 -21.434 1.00 0.00 H new ATOM 0 HG3 GLU A 149 17.329 -13.846 -20.812 1.00 0.00 H new ATOM 141 N GLU A 150 16.994 -9.078 -20.911 1.00 0.00 N ATOM 142 CA GLU A 150 17.792 -7.972 -21.427 1.00 0.00 C ATOM 143 C GLU A 150 18.710 -7.414 -20.333 1.00 0.00 C ATOM 144 O GLU A 150 19.864 -7.087 -20.598 1.00 0.00 O ATOM 145 CB GLU A 150 16.856 -6.883 -21.968 1.00 0.00 C ATOM 146 CG GLU A 150 17.633 -5.928 -22.883 1.00 0.00 C ATOM 147 CD GLU A 150 18.071 -6.631 -24.164 1.00 0.00 C ATOM 148 OE1 GLU A 150 17.203 -6.796 -25.048 1.00 0.00 O ATOM 149 OE2 GLU A 150 19.267 -6.997 -24.237 1.00 0.00 O ATOM 0 H GLU A 150 15.991 -8.978 -21.066 1.00 0.00 H new ATOM 0 HA GLU A 150 18.426 -8.330 -22.238 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.034 -7.340 -22.520 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.415 -6.328 -21.140 1.00 0.00 H new ATOM 0 HG2 GLU A 150 17.010 -5.069 -23.131 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.508 -5.546 -22.357 1.00 0.00 H new ATOM 156 N GLU A 151 18.192 -7.311 -19.105 1.00 0.00 N ATOM 157 CA GLU A 151 18.959 -6.797 -17.982 1.00 0.00 C ATOM 158 C GLU A 151 19.948 -7.860 -17.494 1.00 0.00 C ATOM 159 O GLU A 151 21.096 -7.544 -17.182 1.00 0.00 O ATOM 160 CB GLU A 151 17.986 -6.397 -16.869 1.00 0.00 C ATOM 161 CG GLU A 151 18.693 -5.503 -15.848 1.00 0.00 C ATOM 162 CD GLU A 151 17.737 -5.086 -14.735 1.00 0.00 C ATOM 163 OE1 GLU A 151 16.592 -5.592 -14.740 1.00 0.00 O ATOM 164 OE2 GLU A 151 18.166 -4.268 -13.895 1.00 0.00 O ATOM 0 H GLU A 151 17.237 -7.581 -18.870 1.00 0.00 H new ATOM 0 HA GLU A 151 19.534 -5.922 -18.286 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.131 -5.871 -17.294 1.00 0.00 H new ATOM 0 HB3 GLU A 151 17.598 -7.289 -16.376 1.00 0.00 H new ATOM 0 HG2 GLU A 151 19.544 -6.034 -15.422 1.00 0.00 H new ATOM 0 HG3 GLU A 151 19.087 -4.617 -16.346 1.00 0.00 H new ATOM 171 N ASP A 152 19.499 -9.119 -17.432 1.00 0.00 N ATOM 172 CA ASP A 152 20.333 -10.224 -16.979 1.00 0.00 C ATOM 173 C ASP A 152 21.579 -10.343 -17.857 1.00 0.00 C ATOM 174 O ASP A 152 22.653 -10.662 -17.357 1.00 0.00 O ATOM 175 CB ASP A 152 19.524 -11.527 -17.013 1.00 0.00 C ATOM 176 CG ASP A 152 18.318 -11.462 -16.078 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.419 -10.741 -15.062 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.316 -12.139 -16.398 1.00 0.00 O ATOM 0 H ASP A 152 18.552 -9.393 -17.694 1.00 0.00 H new ATOM 0 HA ASP A 152 20.655 -10.034 -15.955 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.186 -11.720 -18.031 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.164 -12.361 -16.726 1.00 0.00 H new ATOM 183 N ARG A 153 21.436 -10.083 -19.167 1.00 0.00 N ATOM 184 CA ARG A 153 22.557 -10.151 -20.102 1.00 0.00 C ATOM 185 C ARG A 153 23.709 -9.270 -19.610 1.00 0.00 C ATOM 186 O ARG A 153 24.872 -9.654 -19.724 1.00 0.00 O ATOM 187 CB ARG A 153 22.102 -9.688 -21.491 1.00 0.00 C ATOM 188 CG ARG A 153 21.246 -10.767 -22.164 1.00 0.00 C ATOM 189 CD ARG A 153 20.595 -10.182 -23.422 1.00 0.00 C ATOM 190 NE ARG A 153 19.530 -11.058 -23.933 1.00 0.00 N ATOM 191 CZ ARG A 153 18.645 -10.671 -24.872 1.00 0.00 C ATOM 192 NH1 ARG A 153 18.632 -9.407 -25.315 1.00 0.00 N ATOM 193 NH2 ARG A 153 17.772 -11.555 -25.366 1.00 0.00 N ATOM 0 H ARG A 153 20.549 -9.823 -19.598 1.00 0.00 H new ATOM 0 HA ARG A 153 22.905 -11.182 -20.164 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.530 -8.764 -21.403 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.972 -9.467 -22.110 1.00 0.00 H new ATOM 0 HG2 ARG A 153 21.863 -11.627 -22.426 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.480 -11.122 -21.475 1.00 0.00 H new ATOM 0 HD2 ARG A 153 20.182 -9.199 -23.196 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.352 -10.040 -24.193 1.00 0.00 H new ATOM 0 HE ARG A 153 19.458 -12.004 -23.558 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.296 -8.729 -24.941 1.00 0.00 H new ATOM 0 HH12 ARG A 153 17.958 -9.123 -26.026 1.00 0.00 H new ATOM 0 HH21 ARG A 153 17.778 -12.519 -25.032 1.00 0.00 H new ATOM 0 HH22 ARG A 153 17.100 -11.266 -26.077 1.00 0.00 H new ATOM 207 N ILE A 154 23.385 -8.088 -19.066 1.00 0.00 N ATOM 208 CA ILE A 154 24.397 -7.157 -18.579 1.00 0.00 C ATOM 209 C ILE A 154 25.204 -7.814 -17.460 1.00 0.00 C ATOM 210 O ILE A 154 26.434 -7.819 -17.505 1.00 0.00 O ATOM 211 CB ILE A 154 23.725 -5.864 -18.079 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.792 -5.273 -19.158 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.802 -4.839 -17.701 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.524 -5.109 -20.496 1.00 0.00 C ATOM 0 H ILE A 154 22.426 -7.759 -18.955 1.00 0.00 H new ATOM 0 HA ILE A 154 25.075 -6.899 -19.393 1.00 0.00 H new ATOM 0 HB ILE A 154 23.123 -6.103 -17.203 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.928 -5.924 -19.291 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.415 -4.306 -18.826 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.326 -3.925 -17.347 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.433 -5.248 -16.912 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.414 -4.615 -18.575 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.841 -4.691 -21.236 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.373 -4.438 -20.366 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.879 -6.081 -20.838 1.00 0.00 H new ATOM 226 N ILE A 155 24.511 -8.369 -16.458 1.00 0.00 N ATOM 227 CA ILE A 155 25.170 -9.030 -15.338 1.00 0.00 C ATOM 228 C ILE A 155 25.994 -10.202 -15.855 1.00 0.00 C ATOM 229 O ILE A 155 27.147 -10.349 -15.484 1.00 0.00 O ATOM 230 CB ILE A 155 24.117 -9.506 -14.322 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.446 -8.288 -13.674 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.790 -10.360 -13.233 1.00 0.00 C ATOM 233 CD1 ILE A 155 22.072 -8.676 -13.134 1.00 0.00 C ATOM 0 H ILE A 155 23.492 -8.370 -16.405 1.00 0.00 H new ATOM 0 HA ILE A 155 25.837 -8.329 -14.837 1.00 0.00 H new ATOM 0 HB ILE A 155 23.367 -10.107 -14.837 1.00 0.00 H new ATOM 0 HG12 ILE A 155 24.069 -7.906 -12.865 1.00 0.00 H new ATOM 0 HG13 ILE A 155 23.346 -7.486 -14.405 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.039 -10.694 -12.517 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.265 -11.227 -13.692 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.544 -9.765 -12.718 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.602 -7.806 -12.676 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.448 -9.036 -13.952 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.183 -9.463 -12.388 1.00 0.00 H new ATOM 245 N TYR A 156 25.391 -11.031 -16.710 1.00 0.00 N ATOM 246 CA TYR A 156 26.055 -12.199 -17.268 1.00 0.00 C ATOM 247 C TYR A 156 27.368 -11.803 -17.946 1.00 0.00 C ATOM 248 O TYR A 156 28.381 -12.475 -17.770 1.00 0.00 O ATOM 249 CB TYR A 156 25.108 -12.883 -18.258 1.00 0.00 C ATOM 250 CG TYR A 156 25.522 -14.297 -18.600 1.00 0.00 C ATOM 251 CD1 TYR A 156 25.060 -15.371 -17.819 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.372 -14.537 -19.693 1.00 0.00 C ATOM 253 CE1 TYR A 156 25.451 -16.683 -18.131 1.00 0.00 C ATOM 254 CE2 TYR A 156 26.764 -15.850 -20.002 1.00 0.00 C ATOM 255 CZ TYR A 156 26.304 -16.922 -19.221 1.00 0.00 C ATOM 256 OH TYR A 156 26.697 -18.194 -19.515 1.00 0.00 O ATOM 0 H TYR A 156 24.431 -10.907 -17.031 1.00 0.00 H new ATOM 0 HA TYR A 156 26.301 -12.896 -16.467 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.102 -12.898 -17.838 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.062 -12.293 -19.174 1.00 0.00 H new ATOM 0 HD1 TYR A 156 24.405 -15.187 -16.980 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.724 -13.712 -20.295 1.00 0.00 H new ATOM 0 HE1 TYR A 156 25.096 -17.509 -17.533 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.419 -16.035 -20.840 1.00 0.00 H new ATOM 0 HH TYR A 156 27.285 -18.182 -20.299 1.00 0.00 H new ATOM 266 N GLN A 157 27.349 -10.712 -18.720 1.00 0.00 N ATOM 267 CA GLN A 157 28.532 -10.234 -19.416 1.00 0.00 C ATOM 268 C GLN A 157 29.555 -9.726 -18.401 1.00 0.00 C ATOM 269 O GLN A 157 30.736 -10.055 -18.489 1.00 0.00 O ATOM 270 CB GLN A 157 28.128 -9.125 -20.394 1.00 0.00 C ATOM 271 CG GLN A 157 29.299 -8.802 -21.327 1.00 0.00 C ATOM 272 CD GLN A 157 28.927 -7.698 -22.314 1.00 0.00 C ATOM 273 OE1 GLN A 157 29.587 -6.662 -22.368 1.00 0.00 O ATOM 274 NE2 GLN A 157 27.872 -7.920 -23.096 1.00 0.00 N ATOM 0 H GLN A 157 26.516 -10.145 -18.876 1.00 0.00 H new ATOM 0 HA GLN A 157 28.988 -11.047 -19.981 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.263 -9.440 -20.977 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.833 -8.232 -19.843 1.00 0.00 H new ATOM 0 HG2 GLN A 157 30.162 -8.492 -20.738 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.591 -9.699 -21.873 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.353 -8.795 -23.017 1.00 0.00 H new ATOM 0 HE22 GLN A 157 27.583 -7.215 -23.774 1.00 0.00 H new ATOM 283 N ALA A 158 29.097 -8.926 -17.433 1.00 0.00 N ATOM 284 CA ALA A 158 29.967 -8.388 -16.400 1.00 0.00 C ATOM 285 C ALA A 158 30.558 -9.525 -15.563 1.00 0.00 C ATOM 286 O ALA A 158 31.656 -9.397 -15.033 1.00 0.00 O ATOM 287 CB ALA A 158 29.170 -7.427 -15.518 1.00 0.00 C ATOM 0 H ALA A 158 28.122 -8.639 -17.349 1.00 0.00 H new ATOM 0 HA ALA A 158 30.790 -7.845 -16.864 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.820 -7.022 -14.742 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.781 -6.612 -16.128 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.341 -7.961 -15.054 1.00 0.00 H new ATOM 293 N HIS A 159 29.828 -10.641 -15.449 1.00 0.00 N ATOM 294 CA HIS A 159 30.289 -11.789 -14.686 1.00 0.00 C ATOM 295 C HIS A 159 31.491 -12.446 -15.374 1.00 0.00 C ATOM 296 O HIS A 159 32.227 -13.196 -14.741 1.00 0.00 O ATOM 297 CB HIS A 159 29.145 -12.794 -14.513 1.00 0.00 C ATOM 298 CG HIS A 159 29.220 -13.521 -13.198 1.00 0.00 C ATOM 299 ND1 HIS A 159 29.929 -14.705 -13.030 1.00 0.00 N ATOM 300 CD2 HIS A 159 28.688 -13.250 -11.963 1.00 0.00 C ATOM 301 CE1 HIS A 159 29.781 -15.065 -11.739 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.034 -14.217 -11.031 1.00 0.00 N ATOM 0 H HIS A 159 28.912 -10.766 -15.881 1.00 0.00 H new ATOM 0 HA HIS A 159 30.609 -11.452 -13.700 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.191 -12.271 -14.583 1.00 0.00 H new ATOM 0 HB3 HIS A 159 29.173 -13.517 -15.328 1.00 0.00 H new ATOM 0 HD1 HIS A 159 30.458 -15.204 -13.745 1.00 0.00 H new ATOM 0 HD2 HIS A 159 28.075 -12.389 -11.743 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.225 -15.955 -11.318 1.00 0.00 H new ATOM 310 N LYS A 160 31.697 -12.170 -16.669 1.00 0.00 N ATOM 311 CA LYS A 160 32.832 -12.736 -17.389 1.00 0.00 C ATOM 312 C LYS A 160 34.100 -11.948 -17.072 1.00 0.00 C ATOM 313 O LYS A 160 35.134 -12.533 -16.759 1.00 0.00 O ATOM 314 CB LYS A 160 32.574 -12.707 -18.901 1.00 0.00 C ATOM 315 CG LYS A 160 31.366 -13.572 -19.256 1.00 0.00 C ATOM 316 CD LYS A 160 31.109 -13.479 -20.763 1.00 0.00 C ATOM 317 CE LYS A 160 29.851 -14.269 -21.123 1.00 0.00 C ATOM 318 NZ LYS A 160 29.536 -14.140 -22.558 1.00 0.00 N ATOM 0 H LYS A 160 31.097 -11.565 -17.229 1.00 0.00 H new ATOM 0 HA LYS A 160 32.961 -13.770 -17.071 1.00 0.00 H new ATOM 0 HB2 LYS A 160 32.402 -11.681 -19.227 1.00 0.00 H new ATOM 0 HB3 LYS A 160 33.455 -13.067 -19.433 1.00 0.00 H new ATOM 0 HG2 LYS A 160 31.548 -14.608 -18.969 1.00 0.00 H new ATOM 0 HG3 LYS A 160 30.488 -13.237 -18.703 1.00 0.00 H new ATOM 0 HD2 LYS A 160 30.991 -12.436 -21.058 1.00 0.00 H new ATOM 0 HD3 LYS A 160 31.965 -13.871 -21.312 1.00 0.00 H new ATOM 0 HE2 LYS A 160 29.993 -15.320 -20.872 1.00 0.00 H new ATOM 0 HE3 LYS A 160 29.010 -13.910 -20.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 28.678 -14.686 -22.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 29.378 -13.139 -22.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 30.330 -14.505 -23.122 1.00 0.00 H new ATOM 332 N ARG A 161 34.017 -10.620 -17.174 1.00 0.00 N ATOM 333 CA ARG A 161 35.164 -9.749 -16.972 1.00 0.00 C ATOM 334 C ARG A 161 35.441 -9.537 -15.485 1.00 0.00 C ATOM 335 O ARG A 161 36.584 -9.647 -15.048 1.00 0.00 O ATOM 336 CB ARG A 161 34.891 -8.403 -17.651 1.00 0.00 C ATOM 337 CG ARG A 161 34.718 -8.602 -19.161 1.00 0.00 C ATOM 338 CD ARG A 161 34.151 -7.326 -19.782 1.00 0.00 C ATOM 339 NE ARG A 161 33.809 -7.543 -21.195 1.00 0.00 N ATOM 340 CZ ARG A 161 32.720 -7.014 -21.786 1.00 0.00 C ATOM 341 NH1 ARG A 161 31.959 -6.121 -21.138 1.00 0.00 N ATOM 342 NH2 ARG A 161 32.393 -7.382 -23.030 1.00 0.00 N ATOM 0 H ARG A 161 33.154 -10.125 -17.398 1.00 0.00 H new ATOM 0 HA ARG A 161 36.045 -10.218 -17.411 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.993 -7.950 -17.231 1.00 0.00 H new ATOM 0 HB3 ARG A 161 35.715 -7.716 -17.459 1.00 0.00 H new ATOM 0 HG2 ARG A 161 35.677 -8.847 -19.618 1.00 0.00 H new ATOM 0 HG3 ARG A 161 34.049 -9.441 -19.354 1.00 0.00 H new ATOM 0 HD2 ARG A 161 33.264 -7.011 -19.232 1.00 0.00 H new ATOM 0 HD3 ARG A 161 34.880 -6.520 -19.699 1.00 0.00 H new ATOM 0 HE ARG A 161 34.429 -8.125 -21.758 1.00 0.00 H new ATOM 0 HH11 ARG A 161 32.203 -5.836 -20.189 1.00 0.00 H new ATOM 0 HH12 ARG A 161 31.136 -5.726 -21.594 1.00 0.00 H new ATOM 0 HH21 ARG A 161 32.968 -8.061 -23.529 1.00 0.00 H new ATOM 0 HH22 ARG A 161 31.569 -6.983 -23.480 1.00 0.00 H new ATOM 356 N LEU A 162 34.396 -9.214 -14.716 1.00 0.00 N ATOM 357 CA LEU A 162 34.542 -8.907 -13.300 1.00 0.00 C ATOM 358 C LEU A 162 34.249 -10.139 -12.443 1.00 0.00 C ATOM 359 O LEU A 162 35.068 -10.517 -11.606 1.00 0.00 O ATOM 360 CB LEU A 162 33.600 -7.749 -12.917 1.00 0.00 C ATOM 361 CG LEU A 162 33.688 -6.601 -13.937 1.00 0.00 C ATOM 362 CD1 LEU A 162 32.725 -5.486 -13.522 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.114 -6.044 -13.983 1.00 0.00 C ATOM 0 H LEU A 162 33.437 -9.160 -15.058 1.00 0.00 H new ATOM 0 HA LEU A 162 35.572 -8.605 -13.114 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.574 -8.114 -12.863 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.859 -7.379 -11.925 1.00 0.00 H new ATOM 0 HG LEU A 162 33.421 -6.978 -14.924 1.00 0.00 H new ATOM 0 HD11 LEU A 162 32.783 -4.669 -14.241 1.00 0.00 H new ATOM 0 HD12 LEU A 162 31.707 -5.875 -13.496 1.00 0.00 H new ATOM 0 HD13 LEU A 162 32.998 -5.119 -12.533 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.164 -5.232 -14.708 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.390 -5.668 -12.998 1.00 0.00 H new ATOM 0 HD23 LEU A 162 35.804 -6.835 -14.276 1.00 0.00 H new ATOM 375 N GLY A 163 33.075 -10.756 -12.641 1.00 0.00 N ATOM 376 CA GLY A 163 32.658 -11.905 -11.843 1.00 0.00 C ATOM 377 C GLY A 163 31.612 -11.468 -10.823 1.00 0.00 C ATOM 378 O GLY A 163 30.701 -10.712 -11.151 1.00 0.00 O ATOM 0 H GLY A 163 32.399 -10.473 -13.351 1.00 0.00 H new ATOM 0 HA2 GLY A 163 32.248 -12.680 -12.490 1.00 0.00 H new ATOM 0 HA3 GLY A 163 33.519 -12.338 -11.333 1.00 0.00 H new ATOM 382 N ASN A 164 31.749 -11.943 -9.579 1.00 0.00 N ATOM 383 CA ASN A 164 30.817 -11.609 -8.503 1.00 0.00 C ATOM 384 C ASN A 164 31.139 -10.228 -7.918 1.00 0.00 C ATOM 385 O ASN A 164 30.897 -9.988 -6.738 1.00 0.00 O ATOM 386 CB ASN A 164 30.909 -12.675 -7.399 1.00 0.00 C ATOM 387 CG ASN A 164 31.072 -14.073 -7.983 1.00 0.00 C ATOM 388 OD1 ASN A 164 32.188 -14.486 -8.296 1.00 0.00 O ATOM 389 ND2 ASN A 164 29.966 -14.800 -8.130 1.00 0.00 N ATOM 0 H ASN A 164 32.505 -12.566 -9.294 1.00 0.00 H new ATOM 0 HA ASN A 164 29.805 -11.585 -8.908 1.00 0.00 H new ATOM 0 HB2 ASN A 164 31.753 -12.452 -6.746 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.011 -12.640 -6.782 1.00 0.00 H new ATOM 0 HD21 ASN A 164 30.023 -15.742 -8.517 1.00 0.00 H new ATOM 0 HD22 ASN A 164 29.062 -14.415 -7.856 1.00 0.00 H new ATOM 396 N ARG A 165 31.689 -9.322 -8.736 1.00 0.00 N ATOM 397 CA ARG A 165 32.053 -7.990 -8.280 1.00 0.00 C ATOM 398 C ARG A 165 30.845 -7.072 -8.433 1.00 0.00 C ATOM 399 O ARG A 165 30.859 -6.131 -9.230 1.00 0.00 O ATOM 400 CB ARG A 165 33.253 -7.467 -9.087 1.00 0.00 C ATOM 401 CG ARG A 165 34.317 -8.564 -9.273 1.00 0.00 C ATOM 402 CD ARG A 165 34.908 -8.989 -7.924 1.00 0.00 C ATOM 403 NE ARG A 165 35.876 -10.084 -8.105 1.00 0.00 N ATOM 404 CZ ARG A 165 35.527 -11.386 -8.161 1.00 0.00 C ATOM 405 NH1 ARG A 165 34.259 -11.762 -7.950 1.00 0.00 N ATOM 406 NH2 ARG A 165 36.455 -12.311 -8.429 1.00 0.00 N ATOM 0 H ARG A 165 31.889 -9.496 -9.721 1.00 0.00 H new ATOM 0 HA ARG A 165 32.346 -8.019 -7.231 1.00 0.00 H new ATOM 0 HB2 ARG A 165 32.914 -7.116 -10.062 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.694 -6.611 -8.575 1.00 0.00 H new ATOM 0 HG2 ARG A 165 33.872 -9.427 -9.768 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.112 -8.199 -9.924 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.398 -8.138 -7.451 1.00 0.00 H new ATOM 0 HD3 ARG A 165 34.109 -9.309 -7.255 1.00 0.00 H new ATOM 0 HE ARG A 165 36.864 -9.845 -8.193 1.00 0.00 H new ATOM 0 HH11 ARG A 165 33.547 -11.061 -7.745 1.00 0.00 H new ATOM 0 HH12 ARG A 165 34.006 -12.749 -7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 165 37.423 -12.031 -8.590 1.00 0.00 H new ATOM 0 HH22 ARG A 165 36.195 -13.296 -8.472 1.00 0.00 H new ATOM 420 N TRP A 166 29.792 -7.356 -7.662 1.00 0.00 N ATOM 421 CA TRP A 166 28.559 -6.587 -7.712 1.00 0.00 C ATOM 422 C TRP A 166 28.813 -5.130 -7.326 1.00 0.00 C ATOM 423 O TRP A 166 27.979 -4.281 -7.585 1.00 0.00 O ATOM 424 CB TRP A 166 27.517 -7.204 -6.775 1.00 0.00 C ATOM 425 CG TRP A 166 27.620 -8.683 -6.586 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.024 -9.288 -5.463 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.323 -9.762 -7.523 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.008 -10.655 -5.604 1.00 0.00 N ATOM 429 CE2 TRP A 166 27.577 -11.010 -6.869 1.00 0.00 C ATOM 430 CE3 TRP A 166 26.866 -9.824 -8.859 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.384 -12.241 -7.501 1.00 0.00 C ATOM 432 CZ3 TRP A 166 26.672 -11.066 -9.502 1.00 0.00 C ATOM 433 CH2 TRP A 166 26.933 -12.270 -8.825 1.00 0.00 C ATOM 0 H TRP A 166 29.776 -8.123 -6.990 1.00 0.00 H new ATOM 0 HA TRP A 166 28.180 -6.611 -8.734 1.00 0.00 H new ATOM 0 HB2 TRP A 166 27.600 -6.724 -5.800 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.524 -6.972 -7.161 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.323 -8.770 -4.564 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.277 -11.317 -4.876 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.662 -8.909 -9.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.581 -13.162 -6.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.320 -11.091 -10.523 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.786 -13.215 -9.326 1.00 0.00 H new ATOM 444 N ALA A 167 29.962 -4.843 -6.703 1.00 0.00 N ATOM 445 CA ALA A 167 30.301 -3.488 -6.300 1.00 0.00 C ATOM 446 C ALA A 167 30.252 -2.547 -7.507 1.00 0.00 C ATOM 447 O ALA A 167 29.740 -1.434 -7.401 1.00 0.00 O ATOM 448 CB ALA A 167 31.695 -3.484 -5.672 1.00 0.00 C ATOM 0 H ALA A 167 30.670 -5.539 -6.470 1.00 0.00 H new ATOM 0 HA ALA A 167 29.576 -3.135 -5.566 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.954 -2.470 -5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.703 -4.138 -4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.423 -3.842 -6.400 1.00 0.00 H new ATOM 454 N GLU A 168 30.788 -2.994 -8.654 1.00 0.00 N ATOM 455 CA GLU A 168 30.819 -2.175 -9.857 1.00 0.00 C ATOM 456 C GLU A 168 29.506 -2.315 -10.632 1.00 0.00 C ATOM 457 O GLU A 168 28.976 -1.324 -11.132 1.00 0.00 O ATOM 458 CB GLU A 168 32.015 -2.578 -10.725 1.00 0.00 C ATOM 459 CG GLU A 168 32.255 -1.515 -11.809 1.00 0.00 C ATOM 460 CD GLU A 168 32.626 -0.166 -11.192 1.00 0.00 C ATOM 461 OE1 GLU A 168 33.778 -0.054 -10.725 1.00 0.00 O ATOM 462 OE2 GLU A 168 31.749 0.729 -11.198 1.00 0.00 O ATOM 0 H GLU A 168 31.203 -3.919 -8.765 1.00 0.00 H new ATOM 0 HA GLU A 168 30.931 -1.128 -9.576 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.905 -2.686 -10.106 1.00 0.00 H new ATOM 0 HB3 GLU A 168 31.829 -3.547 -11.188 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.053 -1.845 -12.474 1.00 0.00 H new ATOM 0 HG3 GLU A 168 31.358 -1.404 -12.418 1.00 0.00 H new ATOM 469 N ILE A 169 28.974 -3.541 -10.735 1.00 0.00 N ATOM 470 CA ILE A 169 27.721 -3.769 -11.451 1.00 0.00 C ATOM 471 C ILE A 169 26.612 -2.917 -10.818 1.00 0.00 C ATOM 472 O ILE A 169 25.834 -2.278 -11.526 1.00 0.00 O ATOM 473 CB ILE A 169 27.370 -5.266 -11.420 1.00 0.00 C ATOM 474 CG1 ILE A 169 28.502 -6.068 -12.093 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.053 -5.505 -12.171 1.00 0.00 C ATOM 476 CD1 ILE A 169 28.236 -7.571 -11.980 1.00 0.00 C ATOM 0 H ILE A 169 29.391 -4.381 -10.334 1.00 0.00 H new ATOM 0 HA ILE A 169 27.826 -3.472 -12.495 1.00 0.00 H new ATOM 0 HB ILE A 169 27.256 -5.591 -10.386 1.00 0.00 H new ATOM 0 HG12 ILE A 169 28.582 -5.785 -13.143 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.456 -5.825 -11.624 1.00 0.00 H new ATOM 0 HG21 ILE A 169 25.808 -6.567 -12.147 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.254 -4.937 -11.694 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.160 -5.181 -13.206 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.045 -8.121 -12.461 1.00 0.00 H new ATOM 0 HD12 ILE A 169 28.180 -7.853 -10.928 1.00 0.00 H new ATOM 0 HD13 ILE A 169 27.293 -7.811 -12.470 1.00 0.00 H new ATOM 488 N ALA A 170 26.555 -2.903 -9.483 1.00 0.00 N ATOM 489 CA ALA A 170 25.576 -2.117 -8.747 1.00 0.00 C ATOM 490 C ALA A 170 25.811 -0.626 -9.007 1.00 0.00 C ATOM 491 O ALA A 170 24.865 0.150 -9.074 1.00 0.00 O ATOM 492 CB ALA A 170 25.689 -2.438 -7.252 1.00 0.00 C ATOM 0 H ALA A 170 27.188 -3.438 -8.888 1.00 0.00 H new ATOM 0 HA ALA A 170 24.570 -2.368 -9.082 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.957 -1.851 -6.697 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.499 -3.499 -7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.692 -2.192 -6.902 1.00 0.00 H new ATOM 498 N LYS A 171 27.081 -0.233 -9.165 1.00 0.00 N ATOM 499 CA LYS A 171 27.438 1.148 -9.466 1.00 0.00 C ATOM 500 C LYS A 171 26.800 1.567 -10.791 1.00 0.00 C ATOM 501 O LYS A 171 26.258 2.665 -10.901 1.00 0.00 O ATOM 502 CB LYS A 171 28.969 1.263 -9.540 1.00 0.00 C ATOM 503 CG LYS A 171 29.487 2.284 -8.520 1.00 0.00 C ATOM 504 CD LYS A 171 29.306 3.719 -9.049 1.00 0.00 C ATOM 505 CE LYS A 171 30.072 3.934 -10.370 1.00 0.00 C ATOM 506 NZ LYS A 171 31.390 3.264 -10.366 1.00 0.00 N ATOM 0 H LYS A 171 27.880 -0.862 -9.087 1.00 0.00 H new ATOM 0 HA LYS A 171 27.069 1.810 -8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.421 0.290 -9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.268 1.562 -10.545 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.952 2.168 -7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 171 30.541 2.097 -8.313 1.00 0.00 H new ATOM 0 HD2 LYS A 171 28.246 3.920 -9.205 1.00 0.00 H new ATOM 0 HD3 LYS A 171 29.659 4.431 -8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 171 29.476 3.554 -11.200 1.00 0.00 H new ATOM 0 HE3 LYS A 171 30.210 5.002 -10.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.011 3.715 -11.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 31.818 3.346 -9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 31.269 2.259 -10.605 1.00 0.00 H new ATOM 520 N LEU A 172 26.870 0.684 -11.795 1.00 0.00 N ATOM 521 CA LEU A 172 26.303 0.955 -13.108 1.00 0.00 C ATOM 522 C LEU A 172 24.773 0.931 -13.038 1.00 0.00 C ATOM 523 O LEU A 172 24.114 1.700 -13.734 1.00 0.00 O ATOM 524 CB LEU A 172 26.813 -0.089 -14.111 1.00 0.00 C ATOM 525 CG LEU A 172 28.329 0.067 -14.321 1.00 0.00 C ATOM 526 CD1 LEU A 172 28.887 -1.209 -14.954 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.613 1.256 -15.246 1.00 0.00 C ATOM 0 H LEU A 172 27.319 -0.229 -11.715 1.00 0.00 H new ATOM 0 HA LEU A 172 26.614 1.946 -13.439 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.591 -1.092 -13.747 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.294 0.027 -15.062 1.00 0.00 H new ATOM 0 HG LEU A 172 28.806 0.242 -13.357 1.00 0.00 H new ATOM 0 HD11 LEU A 172 29.961 -1.101 -15.104 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.696 -2.056 -14.295 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.402 -1.381 -15.915 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.689 1.358 -15.388 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.134 1.089 -16.211 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.219 2.168 -14.798 1.00 0.00 H new ATOM 539 N LEU A 173 24.214 0.045 -12.195 1.00 0.00 N ATOM 540 CA LEU A 173 22.767 -0.081 -12.029 1.00 0.00 C ATOM 541 C LEU A 173 22.391 0.194 -10.566 1.00 0.00 C ATOM 542 O LEU A 173 22.214 -0.748 -9.798 1.00 0.00 O ATOM 543 CB LEU A 173 22.333 -1.500 -12.432 1.00 0.00 C ATOM 544 CG LEU A 173 22.642 -1.767 -13.916 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.419 -3.251 -14.215 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.721 -0.928 -14.808 1.00 0.00 C ATOM 0 H LEU A 173 24.754 -0.597 -11.616 1.00 0.00 H new ATOM 0 HA LEU A 173 22.257 0.643 -12.665 1.00 0.00 H new ATOM 0 HB2 LEU A 173 22.849 -2.233 -11.811 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.265 -1.624 -12.251 1.00 0.00 H new ATOM 0 HG LEU A 173 23.678 -1.495 -14.120 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.636 -3.447 -15.265 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.080 -3.851 -13.589 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.382 -3.513 -14.004 1.00 0.00 H new ATOM 0 HD21 LEU A 173 21.950 -1.126 -15.855 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.682 -1.191 -14.607 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.875 0.130 -14.597 1.00 0.00 H new ATOM 558 N PRO A 174 22.269 1.483 -10.171 1.00 0.00 N ATOM 559 CA PRO A 174 21.945 1.861 -8.804 1.00 0.00 C ATOM 560 C PRO A 174 20.664 1.180 -8.316 1.00 0.00 C ATOM 561 O PRO A 174 20.578 0.790 -7.152 1.00 0.00 O ATOM 562 CB PRO A 174 21.798 3.386 -8.815 1.00 0.00 C ATOM 563 CG PRO A 174 22.197 3.864 -10.215 1.00 0.00 C ATOM 564 CD PRO A 174 22.453 2.614 -11.058 1.00 0.00 C ATOM 0 HA PRO A 174 22.726 1.542 -8.114 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.773 3.676 -8.586 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.435 3.840 -8.056 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.406 4.471 -10.655 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.090 4.488 -10.170 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.763 2.564 -11.900 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.461 2.624 -11.472 1.00 0.00 H new ATOM 572 N GLY A 175 19.671 1.039 -9.204 1.00 0.00 N ATOM 573 CA GLY A 175 18.406 0.402 -8.859 1.00 0.00 C ATOM 574 C GLY A 175 18.636 -1.028 -8.362 1.00 0.00 C ATOM 575 O GLY A 175 17.861 -1.536 -7.554 1.00 0.00 O ATOM 0 H GLY A 175 19.726 1.361 -10.170 1.00 0.00 H new ATOM 0 HA2 GLY A 175 17.899 0.983 -8.088 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.751 0.388 -9.730 1.00 0.00 H new ATOM 579 N ARG A 176 19.705 -1.671 -8.850 1.00 0.00 N ATOM 580 CA ARG A 176 20.045 -3.030 -8.466 1.00 0.00 C ATOM 581 C ARG A 176 21.193 -2.995 -7.459 1.00 0.00 C ATOM 582 O ARG A 176 22.355 -2.893 -7.845 1.00 0.00 O ATOM 583 CB ARG A 176 20.453 -3.823 -9.715 1.00 0.00 C ATOM 584 CG ARG A 176 19.352 -3.766 -10.782 1.00 0.00 C ATOM 585 CD ARG A 176 18.068 -4.415 -10.256 1.00 0.00 C ATOM 586 NE ARG A 176 17.219 -4.841 -11.373 1.00 0.00 N ATOM 587 CZ ARG A 176 16.151 -5.640 -11.228 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.757 -6.034 -10.010 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.477 -6.049 -12.304 1.00 0.00 N ATOM 0 H ARG A 176 20.352 -1.257 -9.521 1.00 0.00 H new ATOM 0 HA ARG A 176 19.184 -3.515 -8.006 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.380 -3.418 -10.121 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.650 -4.860 -9.444 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.157 -2.730 -11.058 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.684 -4.279 -11.684 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.316 -5.273 -9.631 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.526 -3.708 -9.627 1.00 0.00 H new ATOM 0 HE ARG A 176 17.453 -4.512 -12.310 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.270 -5.727 -9.184 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.944 -6.641 -9.909 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.774 -5.754 -13.234 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.665 -6.656 -12.197 1.00 0.00 H new ATOM 603 N THR A 177 20.871 -3.078 -6.165 1.00 0.00 N ATOM 604 CA THR A 177 21.887 -3.054 -5.122 1.00 0.00 C ATOM 605 C THR A 177 22.765 -4.301 -5.225 1.00 0.00 C ATOM 606 O THR A 177 22.359 -5.306 -5.812 1.00 0.00 O ATOM 607 CB THR A 177 21.213 -2.984 -3.746 1.00 0.00 C ATOM 608 OG1 THR A 177 20.350 -4.090 -3.583 1.00 0.00 O ATOM 609 CG2 THR A 177 20.409 -1.686 -3.625 1.00 0.00 C ATOM 0 H THR A 177 19.915 -3.162 -5.820 1.00 0.00 H new ATOM 0 HA THR A 177 22.517 -2.174 -5.249 1.00 0.00 H new ATOM 0 HB THR A 177 21.980 -3.005 -2.972 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.922 -4.044 -2.703 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.933 -1.643 -2.645 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.077 -0.832 -3.742 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.644 -1.658 -4.401 1.00 0.00 H new ATOM 617 N ASP A 178 23.968 -4.237 -4.645 1.00 0.00 N ATOM 618 CA ASP A 178 24.890 -5.361 -4.652 1.00 0.00 C ATOM 619 C ASP A 178 24.213 -6.580 -4.027 1.00 0.00 C ATOM 620 O ASP A 178 24.366 -7.698 -4.515 1.00 0.00 O ATOM 621 CB ASP A 178 26.161 -4.984 -3.879 1.00 0.00 C ATOM 622 CG ASP A 178 25.849 -4.666 -2.420 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.178 -3.635 -2.195 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.286 -5.461 -1.560 1.00 0.00 O ATOM 0 H ASP A 178 24.321 -3.410 -4.164 1.00 0.00 H new ATOM 0 HA ASP A 178 25.168 -5.608 -5.677 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.877 -5.805 -3.929 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.632 -4.121 -4.349 1.00 0.00 H new ATOM 629 N ASN A 179 23.457 -6.352 -2.947 1.00 0.00 N ATOM 630 CA ASN A 179 22.750 -7.414 -2.254 1.00 0.00 C ATOM 631 C ASN A 179 21.706 -8.038 -3.178 1.00 0.00 C ATOM 632 O ASN A 179 21.580 -9.261 -3.231 1.00 0.00 O ATOM 633 CB ASN A 179 22.078 -6.844 -0.999 1.00 0.00 C ATOM 634 CG ASN A 179 23.063 -6.039 -0.159 1.00 0.00 C ATOM 635 OD1 ASN A 179 22.903 -4.832 -0.004 1.00 0.00 O ATOM 636 ND2 ASN A 179 24.082 -6.707 0.381 1.00 0.00 N ATOM 0 H ASN A 179 23.324 -5.428 -2.537 1.00 0.00 H new ATOM 0 HA ASN A 179 23.458 -8.189 -1.960 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.241 -6.209 -1.289 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.668 -7.659 -0.402 1.00 0.00 H new ATOM 0 HD21 ASN A 179 24.770 -6.215 0.951 1.00 0.00 H new ATOM 0 HD22 ASN A 179 24.174 -7.711 0.224 1.00 0.00 H new ATOM 643 N ALA A 180 20.956 -7.194 -3.901 1.00 0.00 N ATOM 644 CA ALA A 180 19.907 -7.660 -4.796 1.00 0.00 C ATOM 645 C ALA A 180 20.495 -8.517 -5.916 1.00 0.00 C ATOM 646 O ALA A 180 20.012 -9.619 -6.163 1.00 0.00 O ATOM 647 CB ALA A 180 19.159 -6.458 -5.376 1.00 0.00 C ATOM 0 H ALA A 180 21.064 -6.180 -3.877 1.00 0.00 H new ATOM 0 HA ALA A 180 19.208 -8.278 -4.232 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.373 -6.807 -6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.714 -5.881 -4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.856 -5.829 -5.930 1.00 0.00 H new ATOM 653 N ILE A 181 21.530 -8.013 -6.601 1.00 0.00 N ATOM 654 CA ILE A 181 22.141 -8.745 -7.706 1.00 0.00 C ATOM 655 C ILE A 181 22.736 -10.055 -7.191 1.00 0.00 C ATOM 656 O ILE A 181 22.506 -11.112 -7.774 1.00 0.00 O ATOM 657 CB ILE A 181 23.230 -7.898 -8.385 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.654 -6.558 -8.865 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.767 -8.671 -9.594 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.781 -5.533 -9.011 1.00 0.00 C ATOM 0 H ILE A 181 21.956 -7.107 -6.407 1.00 0.00 H new ATOM 0 HA ILE A 181 21.371 -8.966 -8.446 1.00 0.00 H new ATOM 0 HB ILE A 181 24.026 -7.699 -7.668 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.145 -6.691 -9.820 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.910 -6.196 -8.155 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.541 -8.083 -10.087 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.188 -9.620 -9.261 1.00 0.00 H new ATOM 0 HG23 ILE A 181 22.954 -8.861 -10.295 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.368 -4.584 -9.352 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.270 -5.391 -8.048 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.509 -5.894 -9.738 1.00 0.00 H new ATOM 672 N LYS A 182 23.505 -9.978 -6.097 1.00 0.00 N ATOM 673 CA LYS A 182 24.134 -11.149 -5.507 1.00 0.00 C ATOM 674 C LYS A 182 23.081 -12.214 -5.209 1.00 0.00 C ATOM 675 O LYS A 182 23.226 -13.362 -5.620 1.00 0.00 O ATOM 676 CB LYS A 182 24.861 -10.734 -4.224 1.00 0.00 C ATOM 677 CG LYS A 182 25.546 -11.954 -3.595 1.00 0.00 C ATOM 678 CD LYS A 182 26.491 -11.511 -2.465 1.00 0.00 C ATOM 679 CE LYS A 182 25.743 -10.659 -1.428 1.00 0.00 C ATOM 680 NZ LYS A 182 24.524 -11.336 -0.947 1.00 0.00 N ATOM 0 H LYS A 182 23.703 -9.106 -5.605 1.00 0.00 H new ATOM 0 HA LYS A 182 24.856 -11.571 -6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.601 -9.965 -4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.153 -10.300 -3.518 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.795 -12.639 -3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.107 -12.497 -4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 182 26.920 -12.388 -1.980 1.00 0.00 H new ATOM 0 HD3 LYS A 182 27.320 -10.939 -2.882 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.401 -10.451 -0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 182 25.477 -9.699 -1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 24.329 -11.045 0.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 23.720 -11.075 -1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 24.663 -12.366 -0.981 1.00 0.00 H new ATOM 694 N ASN A 183 22.021 -11.824 -4.489 1.00 0.00 N ATOM 695 CA ASN A 183 20.951 -12.739 -4.127 1.00 0.00 C ATOM 696 C ASN A 183 20.321 -13.335 -5.383 1.00 0.00 C ATOM 697 O ASN A 183 20.161 -14.546 -5.475 1.00 0.00 O ATOM 698 CB ASN A 183 19.901 -11.990 -3.302 1.00 0.00 C ATOM 699 CG ASN A 183 18.665 -12.856 -3.079 1.00 0.00 C ATOM 700 OD1 ASN A 183 17.589 -12.545 -3.580 1.00 0.00 O ATOM 701 ND2 ASN A 183 18.821 -13.946 -2.328 1.00 0.00 N ATOM 0 H ASN A 183 21.889 -10.872 -4.148 1.00 0.00 H new ATOM 0 HA ASN A 183 21.357 -13.555 -3.530 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.326 -11.701 -2.341 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.618 -11.070 -3.814 1.00 0.00 H new ATOM 0 HD21 ASN A 183 18.027 -14.561 -2.150 1.00 0.00 H new ATOM 0 HD22 ASN A 183 19.735 -14.166 -1.931 1.00 0.00 H new ATOM 708 N HIS A 184 19.962 -12.479 -6.345 1.00 0.00 N ATOM 709 CA HIS A 184 19.337 -12.919 -7.581 1.00 0.00 C ATOM 710 C HIS A 184 20.183 -13.999 -8.250 1.00 0.00 C ATOM 711 O HIS A 184 19.714 -15.115 -8.445 1.00 0.00 O ATOM 712 CB HIS A 184 19.156 -11.719 -8.515 1.00 0.00 C ATOM 713 CG HIS A 184 18.902 -12.129 -9.943 1.00 0.00 C ATOM 714 ND1 HIS A 184 17.923 -13.051 -10.302 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.493 -11.767 -11.127 1.00 0.00 C ATOM 716 CE1 HIS A 184 17.985 -13.181 -11.643 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.925 -12.424 -12.207 1.00 0.00 N ATOM 0 H HIS A 184 20.098 -11.470 -6.283 1.00 0.00 H new ATOM 0 HA HIS A 184 18.359 -13.347 -7.358 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.323 -11.111 -8.162 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.048 -11.093 -8.474 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.302 -11.057 -11.208 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.335 -13.835 -12.205 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.168 -12.347 -13.195 1.00 0.00 H new ATOM 725 N TRP A 185 21.425 -13.661 -8.606 1.00 0.00 N ATOM 726 CA TRP A 185 22.315 -14.591 -9.284 1.00 0.00 C ATOM 727 C TRP A 185 22.455 -15.885 -8.480 1.00 0.00 C ATOM 728 O TRP A 185 22.257 -16.971 -9.014 1.00 0.00 O ATOM 729 CB TRP A 185 23.683 -13.925 -9.485 1.00 0.00 C ATOM 730 CG TRP A 185 24.689 -14.774 -10.205 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.437 -15.740 -9.649 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.075 -14.755 -11.614 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.249 -16.338 -10.581 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.068 -15.765 -11.827 1.00 0.00 C ATOM 735 CE3 TRP A 185 24.688 -13.994 -12.740 1.00 0.00 C ATOM 736 CZ2 TRP A 185 26.638 -16.005 -13.083 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.262 -14.231 -14.007 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.234 -15.233 -14.178 1.00 0.00 C ATOM 0 H TRP A 185 21.834 -12.743 -8.432 1.00 0.00 H new ATOM 0 HA TRP A 185 21.896 -14.848 -10.257 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.543 -12.998 -10.042 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.087 -13.653 -8.510 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.404 -16.012 -8.604 1.00 0.00 H new ATOM 0 HE1 TRP A 185 26.897 -17.100 -10.382 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.943 -13.220 -12.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.382 -16.778 -13.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 24.952 -13.637 -14.854 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.667 -15.406 -15.152 1.00 0.00 H new ATOM 749 N ASN A 186 22.806 -15.766 -7.199 1.00 0.00 N ATOM 750 CA ASN A 186 23.040 -16.926 -6.349 1.00 0.00 C ATOM 751 C ASN A 186 21.795 -17.814 -6.235 1.00 0.00 C ATOM 752 O ASN A 186 21.923 -19.038 -6.157 1.00 0.00 O ATOM 753 CB ASN A 186 23.480 -16.457 -4.957 1.00 0.00 C ATOM 754 CG ASN A 186 24.876 -15.834 -4.986 1.00 0.00 C ATOM 755 OD1 ASN A 186 25.460 -15.647 -6.050 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.412 -15.516 -3.808 1.00 0.00 N ATOM 0 H ASN A 186 22.934 -14.870 -6.728 1.00 0.00 H new ATOM 0 HA ASN A 186 23.827 -17.526 -6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 186 22.764 -15.729 -4.575 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.473 -17.302 -4.269 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.342 -15.100 -3.767 1.00 0.00 H new ATOM 0 HD22 ASN A 186 24.892 -15.689 -2.948 1.00 0.00 H new ATOM 763 N SER A 187 20.601 -17.206 -6.204 1.00 0.00 N ATOM 764 CA SER A 187 19.354 -17.946 -6.016 1.00 0.00 C ATOM 765 C SER A 187 18.586 -18.134 -7.329 1.00 0.00 C ATOM 766 O SER A 187 17.412 -18.511 -7.295 1.00 0.00 O ATOM 767 CB SER A 187 18.489 -17.185 -5.015 1.00 0.00 C ATOM 768 OG SER A 187 19.203 -17.002 -3.809 1.00 0.00 O ATOM 0 H SER A 187 20.477 -16.199 -6.308 1.00 0.00 H new ATOM 0 HA SER A 187 19.597 -18.942 -5.644 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.202 -16.218 -5.429 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.568 -17.736 -4.823 1.00 0.00 H new ATOM 0 HG SER A 187 19.754 -16.194 -3.874 1.00 0.00 H new ATOM 774 N THR A 188 19.225 -17.880 -8.478 1.00 0.00 N ATOM 775 CA THR A 188 18.565 -18.048 -9.774 1.00 0.00 C ATOM 776 C THR A 188 19.555 -18.575 -10.813 1.00 0.00 C ATOM 777 O THR A 188 19.375 -19.675 -11.332 1.00 0.00 O ATOM 778 CB THR A 188 17.953 -16.711 -10.232 1.00 0.00 C ATOM 779 OG1 THR A 188 17.262 -16.107 -9.158 1.00 0.00 O ATOM 780 CG2 THR A 188 16.974 -16.960 -11.382 1.00 0.00 C ATOM 0 H THR A 188 20.192 -17.560 -8.535 1.00 0.00 H new ATOM 0 HA THR A 188 17.763 -18.778 -9.669 1.00 0.00 H new ATOM 0 HB THR A 188 18.753 -16.051 -10.567 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.891 -15.586 -8.616 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.542 -16.012 -11.704 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.503 -17.420 -12.217 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.179 -17.625 -11.045 1.00 0.00 H new ATOM 788 N MET A 189 20.594 -17.787 -11.120 1.00 0.00 N ATOM 789 CA MET A 189 21.589 -18.158 -12.119 1.00 0.00 C ATOM 790 C MET A 189 22.899 -18.518 -11.423 1.00 0.00 C ATOM 791 O MET A 189 23.913 -17.856 -11.627 1.00 0.00 O ATOM 792 CB MET A 189 21.791 -16.988 -13.090 1.00 0.00 C ATOM 793 CG MET A 189 20.460 -16.622 -13.755 1.00 0.00 C ATOM 794 SD MET A 189 20.626 -15.524 -15.189 1.00 0.00 S ATOM 795 CE MET A 189 21.502 -14.149 -14.405 1.00 0.00 C ATOM 0 H MET A 189 20.763 -16.881 -10.683 1.00 0.00 H new ATOM 0 HA MET A 189 21.248 -19.026 -12.683 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.189 -16.126 -12.555 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.524 -17.258 -13.850 1.00 0.00 H new ATOM 0 HG2 MET A 189 19.959 -17.538 -14.068 1.00 0.00 H new ATOM 0 HG3 MET A 189 19.817 -16.143 -13.017 1.00 0.00 H new ATOM 0 HE1 MET A 189 21.052 -13.206 -14.716 1.00 0.00 H new ATOM 0 HE2 MET A 189 21.432 -14.244 -13.321 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.550 -14.167 -14.704 1.00 0.00 H new ATOM 805 N ARG A 190 22.872 -19.568 -10.596 1.00 0.00 N ATOM 806 CA ARG A 190 24.047 -19.998 -9.858 1.00 0.00 C ATOM 807 C ARG A 190 25.097 -20.544 -10.824 1.00 0.00 C ATOM 808 O ARG A 190 25.035 -21.708 -11.221 1.00 0.00 O ATOM 809 CB ARG A 190 23.641 -21.061 -8.831 1.00 0.00 C ATOM 810 CG ARG A 190 24.829 -21.398 -7.920 1.00 0.00 C ATOM 811 CD ARG A 190 25.204 -20.179 -7.072 1.00 0.00 C ATOM 812 NE ARG A 190 25.801 -20.589 -5.794 1.00 0.00 N ATOM 813 CZ ARG A 190 25.079 -20.861 -4.688 1.00 0.00 C ATOM 814 NH1 ARG A 190 23.743 -20.719 -4.689 1.00 0.00 N ATOM 815 NH2 ARG A 190 25.700 -21.278 -3.577 1.00 0.00 N ATOM 0 H ARG A 190 22.041 -20.134 -10.425 1.00 0.00 H new ATOM 0 HA ARG A 190 24.481 -19.150 -9.329 1.00 0.00 H new ATOM 0 HB2 ARG A 190 22.805 -20.698 -8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.299 -21.960 -9.343 1.00 0.00 H new ATOM 0 HG2 ARG A 190 24.574 -22.237 -7.272 1.00 0.00 H new ATOM 0 HG3 ARG A 190 25.683 -21.708 -8.522 1.00 0.00 H new ATOM 0 HD2 ARG A 190 25.907 -19.552 -7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 190 24.316 -19.575 -6.885 1.00 0.00 H new ATOM 0 HE ARG A 190 26.816 -20.672 -5.740 1.00 0.00 H new ATOM 0 HH11 ARG A 190 23.264 -20.402 -5.532 1.00 0.00 H new ATOM 0 HH12 ARG A 190 23.207 -20.928 -3.846 1.00 0.00 H new ATOM 0 HH21 ARG A 190 26.714 -21.388 -3.570 1.00 0.00 H new ATOM 0 HH22 ARG A 190 25.159 -21.485 -2.738 1.00 0.00 H new