USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 408 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 37 HIS : no HE2:sc= -2.95! C(o=-2.9!,f=-7.9!) USER MOD Set 1.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 168:sc= 0.168 (180deg=0.00886) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc=-0.00941 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0215 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0639 X(o=-0.064,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N LYS A 12 -8.280 8.052 10.268 1.00 0.00 N ATOM 133 CA LYS A 12 -6.842 8.092 10.027 1.00 0.00 C ATOM 134 C LYS A 12 -6.541 8.101 8.531 1.00 0.00 C ATOM 135 O LYS A 12 -5.630 8.792 8.075 1.00 0.00 O ATOM 136 CB LYS A 12 -6.160 6.892 10.688 1.00 0.00 C ATOM 137 CG LYS A 12 -4.736 7.172 11.134 1.00 0.00 C ATOM 138 CD LYS A 12 -3.800 7.329 9.947 1.00 0.00 C ATOM 139 CE LYS A 12 -2.342 7.302 10.380 1.00 0.00 C ATOM 140 NZ LYS A 12 -1.939 5.960 10.886 1.00 0.00 N ATOM 0 HA LYS A 12 -6.451 9.011 10.464 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.748 6.581 11.552 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.155 6.056 9.988 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.715 8.079 11.738 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.386 6.358 11.769 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.983 6.529 9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.012 8.269 9.437 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.708 7.578 9.538 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.180 8.047 11.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.904 5.920 10.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.377 5.793 11.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.255 5.228 10.218 1.00 0.00 H new ATOM 154 N PHE A 13 -7.313 7.329 7.773 1.00 0.00 N ATOM 155 CA PHE A 13 -7.129 7.249 6.328 1.00 0.00 C ATOM 156 C PHE A 13 -8.458 7.424 5.600 1.00 0.00 C ATOM 157 O PHE A 13 -9.352 6.585 5.708 1.00 0.00 O ATOM 158 CB PHE A 13 -6.498 5.908 5.947 1.00 0.00 C ATOM 159 CG PHE A 13 -5.157 5.674 6.581 1.00 0.00 C ATOM 160 CD1 PHE A 13 -4.062 6.442 6.218 1.00 0.00 C ATOM 161 CD2 PHE A 13 -4.991 4.688 7.540 1.00 0.00 C ATOM 162 CE1 PHE A 13 -2.826 6.229 6.799 1.00 0.00 C ATOM 163 CE2 PHE A 13 -3.758 4.471 8.125 1.00 0.00 C ATOM 164 CZ PHE A 13 -2.674 5.243 7.755 1.00 0.00 C ATOM 0 H PHE A 13 -8.071 6.750 8.135 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.461 8.056 6.026 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.173 5.103 6.237 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.392 5.861 4.863 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.176 7.216 5.473 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.835 4.082 7.834 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.980 6.833 6.506 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.642 3.699 8.871 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.710 5.076 8.212 1.00 0.00 H new ATOM 174 N ALA A 14 -8.581 8.521 4.860 1.00 0.00 N ATOM 175 CA ALA A 14 -9.799 8.806 4.112 1.00 0.00 C ATOM 176 C ALA A 14 -10.138 7.665 3.159 1.00 0.00 C ATOM 177 O ALA A 14 -9.261 7.124 2.486 1.00 0.00 O ATOM 178 CB ALA A 14 -9.655 10.112 3.345 1.00 0.00 C ATOM 0 H ALA A 14 -7.851 9.227 4.763 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.618 8.905 4.824 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.572 10.312 2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.469 10.927 4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.820 10.035 2.648 1.00 0.00 H new ATOM 184 N ASP A 15 -11.416 7.304 3.107 1.00 0.00 N ATOM 185 CA ASP A 15 -11.871 6.227 2.235 1.00 0.00 C ATOM 186 C ASP A 15 -11.442 6.477 0.793 1.00 0.00 C ATOM 187 O ASP A 15 -11.555 7.592 0.285 1.00 0.00 O ATOM 188 CB ASP A 15 -13.392 6.089 2.311 1.00 0.00 C ATOM 189 CG ASP A 15 -13.963 5.318 1.137 1.00 0.00 C ATOM 190 OD1 ASP A 15 -13.794 5.777 -0.011 1.00 0.00 O ATOM 191 OD2 ASP A 15 -14.579 4.256 1.368 1.00 0.00 O ATOM 0 H ASP A 15 -12.155 7.741 3.658 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.412 5.299 2.576 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.662 5.585 3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.843 7.081 2.344 1.00 0.00 H new ATOM 196 N GLY A 16 -10.947 5.431 0.138 1.00 0.00 N ATOM 197 CA GLY A 16 -10.507 5.559 -1.239 1.00 0.00 C ATOM 198 C GLY A 16 -9.104 6.121 -1.350 1.00 0.00 C ATOM 199 O GLY A 16 -8.392 5.843 -2.314 1.00 0.00 O ATOM 0 H GLY A 16 -10.843 4.498 0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.543 4.582 -1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.198 6.206 -1.779 1.00 0.00 H new ATOM 203 N GLU A 17 -8.706 6.915 -0.361 1.00 0.00 N ATOM 204 CA GLU A 17 -7.379 7.519 -0.354 1.00 0.00 C ATOM 205 C GLU A 17 -6.311 6.490 -0.711 1.00 0.00 C ATOM 206 O GLU A 17 -6.388 5.331 -0.303 1.00 0.00 O ATOM 207 CB GLU A 17 -7.078 8.127 1.018 1.00 0.00 C ATOM 208 CG GLU A 17 -5.986 9.183 0.990 1.00 0.00 C ATOM 209 CD GLU A 17 -6.494 10.534 0.524 1.00 0.00 C ATOM 210 OE1 GLU A 17 -7.718 10.767 0.599 1.00 0.00 O ATOM 211 OE2 GLU A 17 -5.665 11.359 0.084 1.00 0.00 O ATOM 0 H GLU A 17 -9.283 7.155 0.445 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.364 8.309 -1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.990 8.570 1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.784 7.331 1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.558 9.284 1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.183 8.853 0.330 1.00 0.00 H new ATOM 218 N VAL A 18 -5.314 6.922 -1.477 1.00 0.00 N ATOM 219 CA VAL A 18 -4.229 6.039 -1.889 1.00 0.00 C ATOM 220 C VAL A 18 -3.039 6.151 -0.943 1.00 0.00 C ATOM 221 O VAL A 18 -2.226 7.069 -1.057 1.00 0.00 O ATOM 222 CB VAL A 18 -3.763 6.355 -3.323 1.00 0.00 C ATOM 223 CG1 VAL A 18 -2.590 5.467 -3.711 1.00 0.00 C ATOM 224 CG2 VAL A 18 -4.913 6.193 -4.305 1.00 0.00 C ATOM 0 H VAL A 18 -5.235 7.878 -1.825 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.619 5.022 -1.857 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.430 7.392 -3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.274 5.704 -4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.761 5.638 -3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.893 4.421 -3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.566 6.420 -5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.279 5.167 -4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.719 6.876 -4.037 1.00 0.00 H new ATOM 234 N VAL A 19 -2.942 5.211 -0.009 1.00 0.00 N ATOM 235 CA VAL A 19 -1.850 5.202 0.957 1.00 0.00 C ATOM 236 C VAL A 19 -0.922 4.015 0.727 1.00 0.00 C ATOM 237 O VAL A 19 -1.125 3.224 -0.194 1.00 0.00 O ATOM 238 CB VAL A 19 -2.380 5.153 2.403 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.227 6.380 2.703 1.00 0.00 C ATOM 240 CG2 VAL A 19 -3.173 3.877 2.636 1.00 0.00 C ATOM 0 H VAL A 19 -3.607 4.445 0.099 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.293 6.128 0.813 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.529 5.154 3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.593 6.328 3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.623 7.279 2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.074 6.414 2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.540 3.859 3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.018 3.843 1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.531 3.013 2.465 1.00 0.00 H new ATOM 250 N ARG A 20 0.098 3.896 1.571 1.00 0.00 N ATOM 251 CA ARG A 20 1.059 2.805 1.460 1.00 0.00 C ATOM 252 C ARG A 20 0.872 1.799 2.591 1.00 0.00 C ATOM 253 O ARG A 20 0.843 2.167 3.765 1.00 0.00 O ATOM 254 CB ARG A 20 2.487 3.351 1.479 1.00 0.00 C ATOM 255 CG ARG A 20 2.861 4.124 0.224 1.00 0.00 C ATOM 256 CD ARG A 20 4.349 4.024 -0.070 1.00 0.00 C ATOM 257 NE ARG A 20 4.791 5.045 -1.015 1.00 0.00 N ATOM 258 CZ ARG A 20 6.068 5.305 -1.274 1.00 0.00 C ATOM 259 NH1 ARG A 20 7.024 4.620 -0.662 1.00 0.00 N ATOM 260 NH2 ARG A 20 6.390 6.250 -2.147 1.00 0.00 N ATOM 0 H ARG A 20 0.280 4.542 2.339 1.00 0.00 H new ATOM 0 HA ARG A 20 0.885 2.296 0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.607 4.002 2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.182 2.521 1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.295 3.739 -0.624 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.582 5.171 0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.909 4.124 0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.573 3.036 -0.473 1.00 0.00 H new ATOM 0 HE ARG A 20 4.080 5.589 -1.504 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.780 3.892 0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.004 4.821 -0.862 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.657 6.778 -2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.371 6.449 -2.345 1.00 0.00 H new ATOM 274 N GLY A 21 0.746 0.525 2.230 1.00 0.00 N ATOM 275 CA GLY A 21 0.564 -0.514 3.226 1.00 0.00 C ATOM 276 C GLY A 21 1.650 -1.570 3.168 1.00 0.00 C ATOM 277 O GLY A 21 2.077 -1.972 2.085 1.00 0.00 O ATOM 0 H GLY A 21 0.767 0.195 1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.552 -0.063 4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.407 -0.987 3.079 1.00 0.00 H new ATOM 281 N ARG A 22 2.098 -2.021 4.335 1.00 0.00 N ATOM 282 CA ARG A 22 3.143 -3.034 4.412 1.00 0.00 C ATOM 283 C ARG A 22 2.564 -4.430 4.196 1.00 0.00 C ATOM 284 O ARG A 22 1.837 -4.948 5.044 1.00 0.00 O ATOM 285 CB ARG A 22 3.849 -2.967 5.767 1.00 0.00 C ATOM 286 CG ARG A 22 4.733 -4.170 6.054 1.00 0.00 C ATOM 287 CD ARG A 22 5.458 -4.025 7.383 1.00 0.00 C ATOM 288 NE ARG A 22 6.747 -3.354 7.232 1.00 0.00 N ATOM 289 CZ ARG A 22 7.425 -2.829 8.247 1.00 0.00 C ATOM 290 NH1 ARG A 22 6.939 -2.897 9.479 1.00 0.00 N ATOM 291 NH2 ARG A 22 8.591 -2.235 8.031 1.00 0.00 N ATOM 0 H ARG A 22 1.753 -1.701 5.240 1.00 0.00 H new ATOM 0 HA ARG A 22 3.867 -2.834 3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.457 -2.063 5.806 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.099 -2.882 6.554 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.125 -5.075 6.067 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.462 -4.287 5.252 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.835 -3.461 8.077 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.611 -5.011 7.822 1.00 0.00 H new ATOM 0 HE ARG A 22 7.148 -3.285 6.297 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.043 -3.353 9.649 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.462 -2.493 10.256 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.968 -2.181 7.085 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.110 -1.832 8.811 1.00 0.00 H new ATOM 305 N TRP A 23 2.891 -5.030 3.058 1.00 0.00 N ATOM 306 CA TRP A 23 2.402 -6.365 2.731 1.00 0.00 C ATOM 307 C TRP A 23 2.351 -7.246 3.974 1.00 0.00 C ATOM 308 O TRP A 23 3.247 -7.221 4.819 1.00 0.00 O ATOM 309 CB TRP A 23 3.295 -7.011 1.669 1.00 0.00 C ATOM 310 CG TRP A 23 2.636 -8.151 0.954 1.00 0.00 C ATOM 311 CD1 TRP A 23 2.901 -9.482 1.114 1.00 0.00 C ATOM 312 CD2 TRP A 23 1.606 -8.062 -0.036 1.00 0.00 C ATOM 313 NE1 TRP A 23 2.097 -10.224 0.284 1.00 0.00 N ATOM 314 CE2 TRP A 23 1.293 -9.377 -0.431 1.00 0.00 C ATOM 315 CE3 TRP A 23 0.916 -6.999 -0.625 1.00 0.00 C ATOM 316 CZ2 TRP A 23 0.321 -9.654 -1.389 1.00 0.00 C ATOM 317 CZ3 TRP A 23 -0.048 -7.276 -1.576 1.00 0.00 C ATOM 318 CH2 TRP A 23 -0.339 -8.595 -1.950 1.00 0.00 C ATOM 0 H TRP A 23 3.492 -4.614 2.346 1.00 0.00 H new ATOM 0 HA TRP A 23 1.391 -6.268 2.336 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.587 -6.254 0.941 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.210 -7.368 2.142 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.635 -9.890 1.793 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.098 -11.241 0.212 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.132 -5.979 -0.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 0.096 -10.670 -1.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.586 -6.462 -2.039 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.099 -8.779 -2.695 1.00 0.00 H new ATOM 329 N PRO A 24 1.280 -8.044 4.091 1.00 0.00 N ATOM 330 CA PRO A 24 1.087 -8.949 5.229 1.00 0.00 C ATOM 331 C PRO A 24 2.074 -10.111 5.219 1.00 0.00 C ATOM 332 O PRO A 24 2.050 -10.966 6.103 1.00 0.00 O ATOM 333 CB PRO A 24 -0.343 -9.460 5.038 1.00 0.00 C ATOM 334 CG PRO A 24 -0.597 -9.335 3.575 1.00 0.00 C ATOM 335 CD PRO A 24 0.174 -8.126 3.123 1.00 0.00 C ATOM 0 HA PRO A 24 1.250 -8.446 6.182 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.442 -10.493 5.370 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.055 -8.870 5.615 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.268 -10.228 3.044 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.662 -9.217 3.372 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.541 -8.242 2.103 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.442 -7.227 3.140 1.00 0.00 H new ATOM 343 N GLY A 25 2.943 -10.135 4.212 1.00 0.00 N ATOM 344 CA GLY A 25 3.926 -11.197 4.107 1.00 0.00 C ATOM 345 C GLY A 25 5.349 -10.676 4.145 1.00 0.00 C ATOM 346 O GLY A 25 6.245 -11.335 4.673 1.00 0.00 O ATOM 0 H GLY A 25 2.983 -9.438 3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.780 -11.905 4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.767 -11.744 3.178 1.00 0.00 H new ATOM 350 N SER A 26 5.558 -9.489 3.584 1.00 0.00 N ATOM 351 CA SER A 26 6.884 -8.882 3.552 1.00 0.00 C ATOM 352 C SER A 26 6.920 -7.612 4.397 1.00 0.00 C ATOM 353 O SER A 26 5.907 -7.200 4.963 1.00 0.00 O ATOM 354 CB SER A 26 7.286 -8.561 2.111 1.00 0.00 C ATOM 355 OG SER A 26 8.694 -8.597 1.955 1.00 0.00 O ATOM 0 H SER A 26 4.827 -8.929 3.146 1.00 0.00 H new ATOM 0 HA SER A 26 7.594 -9.596 3.969 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.823 -9.278 1.433 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.912 -7.575 1.837 1.00 0.00 H new ATOM 0 HG SER A 26 8.926 -8.390 1.025 1.00 0.00 H new ATOM 361 N SER A 27 8.095 -6.995 4.477 1.00 0.00 N ATOM 362 CA SER A 27 8.266 -5.774 5.255 1.00 0.00 C ATOM 363 C SER A 27 8.400 -4.561 4.340 1.00 0.00 C ATOM 364 O SER A 27 9.081 -3.590 4.672 1.00 0.00 O ATOM 365 CB SER A 27 9.498 -5.886 6.155 1.00 0.00 C ATOM 366 OG SER A 27 9.519 -4.850 7.122 1.00 0.00 O ATOM 0 H SER A 27 8.942 -7.321 4.012 1.00 0.00 H new ATOM 0 HA SER A 27 7.381 -5.642 5.877 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.500 -6.855 6.655 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.402 -5.839 5.547 1.00 0.00 H new ATOM 0 HG SER A 27 10.315 -4.945 7.686 1.00 0.00 H new ATOM 372 N LEU A 28 7.745 -4.623 3.186 1.00 0.00 N ATOM 373 CA LEU A 28 7.789 -3.530 2.220 1.00 0.00 C ATOM 374 C LEU A 28 6.403 -2.928 2.015 1.00 0.00 C ATOM 375 O LEU A 28 5.404 -3.646 1.970 1.00 0.00 O ATOM 376 CB LEU A 28 8.345 -4.026 0.884 1.00 0.00 C ATOM 377 CG LEU A 28 9.712 -4.710 0.938 1.00 0.00 C ATOM 378 CD1 LEU A 28 10.056 -5.322 -0.411 1.00 0.00 C ATOM 379 CD2 LEU A 28 10.786 -3.721 1.368 1.00 0.00 C ATOM 0 H LEU A 28 7.177 -5.419 2.896 1.00 0.00 H new ATOM 0 HA LEU A 28 8.446 -2.755 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.628 -4.724 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.412 -3.177 0.204 1.00 0.00 H new ATOM 0 HG LEU A 28 9.668 -5.511 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.032 -5.804 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.301 -6.061 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.082 -4.540 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.752 -4.225 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.830 -2.898 0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.546 -3.331 2.357 1.00 0.00 H new ATOM 391 N TYR A 29 6.351 -1.607 1.890 1.00 0.00 N ATOM 392 CA TYR A 29 5.087 -0.908 1.689 1.00 0.00 C ATOM 393 C TYR A 29 4.843 -0.638 0.208 1.00 0.00 C ATOM 394 O TYR A 29 5.760 -0.272 -0.528 1.00 0.00 O ATOM 395 CB TYR A 29 5.079 0.409 2.467 1.00 0.00 C ATOM 396 CG TYR A 29 5.223 0.231 3.962 1.00 0.00 C ATOM 397 CD1 TYR A 29 6.410 -0.233 4.515 1.00 0.00 C ATOM 398 CD2 TYR A 29 4.172 0.527 4.821 1.00 0.00 C ATOM 399 CE1 TYR A 29 6.546 -0.399 5.880 1.00 0.00 C ATOM 400 CE2 TYR A 29 4.299 0.366 6.187 1.00 0.00 C ATOM 401 CZ TYR A 29 5.487 -0.098 6.711 1.00 0.00 C ATOM 402 OH TYR A 29 5.618 -0.260 8.072 1.00 0.00 O ATOM 0 H TYR A 29 7.169 -0.999 1.924 1.00 0.00 H new ATOM 0 HA TYR A 29 4.285 -1.546 2.060 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.891 1.040 2.105 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.148 0.937 2.261 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.241 -0.468 3.867 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.240 0.889 4.414 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.475 -0.762 6.294 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.473 0.602 6.841 1.00 0.00 H new ATOM 0 HH TYR A 29 4.782 -0.003 8.514 1.00 0.00 H new ATOM 412 N TYR A 30 3.599 -0.820 -0.223 1.00 0.00 N ATOM 413 CA TYR A 30 3.233 -0.598 -1.617 1.00 0.00 C ATOM 414 C TYR A 30 2.023 0.325 -1.721 1.00 0.00 C ATOM 415 O TYR A 30 1.316 0.553 -0.740 1.00 0.00 O ATOM 416 CB TYR A 30 2.933 -1.931 -2.305 1.00 0.00 C ATOM 417 CG TYR A 30 4.093 -2.900 -2.279 1.00 0.00 C ATOM 418 CD1 TYR A 30 4.276 -3.766 -1.209 1.00 0.00 C ATOM 419 CD2 TYR A 30 5.005 -2.951 -3.327 1.00 0.00 C ATOM 420 CE1 TYR A 30 5.335 -4.653 -1.181 1.00 0.00 C ATOM 421 CE2 TYR A 30 6.066 -3.835 -3.308 1.00 0.00 C ATOM 422 CZ TYR A 30 6.227 -4.684 -2.233 1.00 0.00 C ATOM 423 OH TYR A 30 7.282 -5.567 -2.209 1.00 0.00 O ATOM 0 H TYR A 30 2.828 -1.121 0.373 1.00 0.00 H new ATOM 0 HA TYR A 30 4.076 -0.120 -2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.073 -2.394 -1.822 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.653 -1.741 -3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.579 -3.746 -0.385 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.882 -2.288 -4.171 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.464 -5.318 -0.340 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.766 -3.861 -4.130 1.00 0.00 H new ATOM 0 HH TYR A 30 7.815 -5.462 -3.025 1.00 0.00 H new ATOM 433 N GLU A 31 1.792 0.853 -2.919 1.00 0.00 N ATOM 434 CA GLU A 31 0.667 1.752 -3.153 1.00 0.00 C ATOM 435 C GLU A 31 -0.656 0.995 -3.091 1.00 0.00 C ATOM 436 O GLU A 31 -1.008 0.260 -4.014 1.00 0.00 O ATOM 437 CB GLU A 31 0.810 2.441 -4.512 1.00 0.00 C ATOM 438 CG GLU A 31 -0.370 3.327 -4.872 1.00 0.00 C ATOM 439 CD GLU A 31 -0.178 4.047 -6.193 1.00 0.00 C ATOM 440 OE1 GLU A 31 0.448 5.127 -6.195 1.00 0.00 O ATOM 441 OE2 GLU A 31 -0.653 3.528 -7.225 1.00 0.00 O ATOM 0 H GLU A 31 2.368 0.674 -3.742 1.00 0.00 H new ATOM 0 HA GLU A 31 0.670 2.508 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.719 3.043 -4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.932 1.681 -5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.274 2.720 -4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.523 4.061 -4.081 1.00 0.00 H new ATOM 448 N VAL A 32 -1.386 1.181 -1.996 1.00 0.00 N ATOM 449 CA VAL A 32 -2.671 0.517 -1.812 1.00 0.00 C ATOM 450 C VAL A 32 -3.775 1.527 -1.520 1.00 0.00 C ATOM 451 O VAL A 32 -3.521 2.594 -0.963 1.00 0.00 O ATOM 452 CB VAL A 32 -2.614 -0.510 -0.665 1.00 0.00 C ATOM 453 CG1 VAL A 32 -1.612 -1.609 -0.982 1.00 0.00 C ATOM 454 CG2 VAL A 32 -2.267 0.177 0.647 1.00 0.00 C ATOM 0 H VAL A 32 -1.109 1.786 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.894 -0.002 -2.744 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.598 -0.968 -0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.585 -2.325 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.909 -2.119 -1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.622 -1.172 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.231 -0.563 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.295 0.662 0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.026 0.924 0.878 1.00 0.00 H new ATOM 464 N GLU A 33 -5.002 1.181 -1.900 1.00 0.00 N ATOM 465 CA GLU A 33 -6.145 2.059 -1.679 1.00 0.00 C ATOM 466 C GLU A 33 -6.994 1.563 -0.513 1.00 0.00 C ATOM 467 O GLU A 33 -7.015 0.369 -0.210 1.00 0.00 O ATOM 468 CB GLU A 33 -6.999 2.149 -2.945 1.00 0.00 C ATOM 469 CG GLU A 33 -8.464 2.445 -2.670 1.00 0.00 C ATOM 470 CD GLU A 33 -9.187 2.990 -3.887 1.00 0.00 C ATOM 471 OE1 GLU A 33 -8.503 3.444 -4.828 1.00 0.00 O ATOM 472 OE2 GLU A 33 -10.435 2.963 -3.898 1.00 0.00 O ATOM 0 H GLU A 33 -5.229 0.300 -2.362 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.767 3.051 -1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.595 2.928 -3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.923 1.209 -3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.959 1.533 -2.336 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.539 3.165 -1.855 1.00 0.00 H new ATOM 479 N ILE A 34 -7.693 2.487 0.138 1.00 0.00 N ATOM 480 CA ILE A 34 -8.544 2.144 1.271 1.00 0.00 C ATOM 481 C ILE A 34 -9.930 1.712 0.805 1.00 0.00 C ATOM 482 O ILE A 34 -10.608 2.440 0.078 1.00 0.00 O ATOM 483 CB ILE A 34 -8.687 3.327 2.246 1.00 0.00 C ATOM 484 CG1 ILE A 34 -7.311 3.787 2.731 1.00 0.00 C ATOM 485 CG2 ILE A 34 -9.567 2.938 3.425 1.00 0.00 C ATOM 486 CD1 ILE A 34 -6.664 2.830 3.708 1.00 0.00 C ATOM 0 H ILE A 34 -7.687 3.479 -0.100 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.062 1.314 1.789 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.161 4.156 1.721 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.655 3.913 1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.409 4.764 3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.659 3.785 4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.555 2.654 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.118 2.096 3.952 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.692 3.220 4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.300 2.722 4.587 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.534 1.858 3.233 1.00 0.00 H new ATOM 498 N LEU A 35 -10.348 0.525 1.229 1.00 0.00 N ATOM 499 CA LEU A 35 -11.655 -0.004 0.858 1.00 0.00 C ATOM 500 C LEU A 35 -12.664 0.197 1.984 1.00 0.00 C ATOM 501 O LEU A 35 -13.747 0.742 1.771 1.00 0.00 O ATOM 502 CB LEU A 35 -11.547 -1.491 0.514 1.00 0.00 C ATOM 503 CG LEU A 35 -10.470 -1.868 -0.503 1.00 0.00 C ATOM 504 CD1 LEU A 35 -10.366 -3.379 -0.636 1.00 0.00 C ATOM 505 CD2 LEU A 35 -10.764 -1.231 -1.853 1.00 0.00 C ATOM 0 H LEU A 35 -9.800 -0.090 1.831 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.004 0.541 -0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.359 -2.044 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.512 -1.826 0.133 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.513 -1.489 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.594 -3.628 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.107 -3.812 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.323 -3.782 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.987 -1.511 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.731 -1.579 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.785 -0.146 -1.747 1.00 0.00 H new ATOM 517 N SER A 36 -12.300 -0.246 3.184 1.00 0.00 N ATOM 518 CA SER A 36 -13.174 -0.116 4.344 1.00 0.00 C ATOM 519 C SER A 36 -12.358 0.011 5.627 1.00 0.00 C ATOM 520 O SER A 36 -11.127 0.027 5.595 1.00 0.00 O ATOM 521 CB SER A 36 -14.112 -1.320 4.440 1.00 0.00 C ATOM 522 OG SER A 36 -15.065 -1.309 3.391 1.00 0.00 O ATOM 0 H SER A 36 -11.406 -0.698 3.378 1.00 0.00 H new ATOM 0 HA SER A 36 -13.768 0.789 4.221 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.531 -2.242 4.398 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.625 -1.310 5.402 1.00 0.00 H new ATOM 0 HG SER A 36 -15.652 -2.090 3.474 1.00 0.00 H new ATOM 528 N HIS A 37 -13.053 0.100 6.756 1.00 0.00 N ATOM 529 CA HIS A 37 -12.394 0.225 8.052 1.00 0.00 C ATOM 530 C HIS A 37 -13.182 -0.507 9.134 1.00 0.00 C ATOM 531 O HIS A 37 -14.363 -0.806 8.961 1.00 0.00 O ATOM 532 CB HIS A 37 -12.237 1.698 8.428 1.00 0.00 C ATOM 533 CG HIS A 37 -12.192 1.938 9.905 1.00 0.00 C ATOM 534 ND1 HIS A 37 -11.086 1.656 10.680 1.00 0.00 N ATOM 535 CD2 HIS A 37 -13.124 2.438 10.750 1.00 0.00 C ATOM 536 CE1 HIS A 37 -11.341 1.971 11.938 1.00 0.00 C ATOM 537 NE2 HIS A 37 -12.571 2.448 12.007 1.00 0.00 N ATOM 0 H HIS A 37 -14.072 0.088 6.800 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.406 -0.230 7.975 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.322 2.084 7.978 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -13.065 2.264 8.002 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -10.209 1.266 10.336 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -14.118 2.768 10.485 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.660 1.858 12.768 1.00 0.00 H new ATOM 546 N ASP A 38 -12.519 -0.793 10.250 1.00 0.00 N ATOM 547 CA ASP A 38 -13.157 -1.490 11.361 1.00 0.00 C ATOM 548 C ASP A 38 -12.674 -0.937 12.698 1.00 0.00 C ATOM 549 O ASP A 38 -11.525 -0.516 12.828 1.00 0.00 O ATOM 550 CB ASP A 38 -12.870 -2.990 11.282 1.00 0.00 C ATOM 551 CG ASP A 38 -11.549 -3.292 10.603 1.00 0.00 C ATOM 552 OD1 ASP A 38 -10.689 -2.388 10.550 1.00 0.00 O ATOM 553 OD2 ASP A 38 -11.374 -4.432 10.124 1.00 0.00 O ATOM 0 H ASP A 38 -11.540 -0.553 10.409 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.233 -1.330 11.289 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -12.862 -3.409 12.288 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -13.676 -3.483 10.738 1.00 0.00 H new ATOM 558 N SER A 39 -13.561 -0.940 13.689 1.00 0.00 N ATOM 559 CA SER A 39 -13.227 -0.434 15.015 1.00 0.00 C ATOM 560 C SER A 39 -13.172 -1.570 16.032 1.00 0.00 C ATOM 561 O SER A 39 -12.756 -1.377 17.175 1.00 0.00 O ATOM 562 CB SER A 39 -14.251 0.613 15.457 1.00 0.00 C ATOM 563 OG SER A 39 -15.573 0.119 15.330 1.00 0.00 O ATOM 0 H SER A 39 -14.516 -1.287 13.598 1.00 0.00 H new ATOM 0 HA SER A 39 -12.242 0.031 14.962 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.063 0.895 16.493 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.137 1.515 14.855 1.00 0.00 H new ATOM 0 HG SER A 39 -16.208 0.806 15.620 1.00 0.00 H new ATOM 569 N THR A 40 -13.596 -2.757 15.607 1.00 0.00 N ATOM 570 CA THR A 40 -13.597 -3.924 16.479 1.00 0.00 C ATOM 571 C THR A 40 -12.476 -4.889 16.108 1.00 0.00 C ATOM 572 O THR A 40 -11.935 -5.586 16.966 1.00 0.00 O ATOM 573 CB THR A 40 -14.943 -4.671 16.417 1.00 0.00 C ATOM 574 OG1 THR A 40 -16.016 -3.772 16.721 1.00 0.00 O ATOM 575 CG2 THR A 40 -14.960 -5.838 17.392 1.00 0.00 C ATOM 0 H THR A 40 -13.943 -2.934 14.664 1.00 0.00 H new ATOM 0 HA THR A 40 -13.438 -3.560 17.494 1.00 0.00 H new ATOM 0 HB THR A 40 -15.071 -5.061 15.407 1.00 0.00 H new ATOM 0 HG1 THR A 40 -16.868 -4.254 16.678 1.00 0.00 H new ATOM 0 HG21 THR A 40 -15.920 -6.350 17.330 1.00 0.00 H new ATOM 0 HG22 THR A 40 -14.161 -6.535 17.140 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.811 -5.467 18.406 1.00 0.00 H new ATOM 583 N SER A 41 -12.131 -4.923 14.825 1.00 0.00 N ATOM 584 CA SER A 41 -11.076 -5.805 14.340 1.00 0.00 C ATOM 585 C SER A 41 -9.767 -5.040 14.164 1.00 0.00 C ATOM 586 O SER A 41 -8.685 -5.623 14.219 1.00 0.00 O ATOM 587 CB SER A 41 -11.488 -6.446 13.014 1.00 0.00 C ATOM 588 OG SER A 41 -12.741 -7.097 13.129 1.00 0.00 O ATOM 0 H SER A 41 -12.567 -4.350 14.102 1.00 0.00 H new ATOM 0 HA SER A 41 -10.922 -6.589 15.081 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.542 -5.682 12.238 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.729 -7.164 12.702 1.00 0.00 H new ATOM 0 HG SER A 41 -12.982 -7.497 12.267 1.00 0.00 H new ATOM 594 N GLN A 42 -9.877 -3.733 13.953 1.00 0.00 N ATOM 595 CA GLN A 42 -8.703 -2.888 13.768 1.00 0.00 C ATOM 596 C GLN A 42 -7.909 -3.321 12.540 1.00 0.00 C ATOM 597 O GLN A 42 -6.678 -3.265 12.532 1.00 0.00 O ATOM 598 CB GLN A 42 -7.812 -2.939 15.011 1.00 0.00 C ATOM 599 CG GLN A 42 -8.558 -2.663 16.306 1.00 0.00 C ATOM 600 CD GLN A 42 -8.708 -1.181 16.589 1.00 0.00 C ATOM 601 OE1 GLN A 42 -8.076 -0.644 17.499 1.00 0.00 O ATOM 602 NE2 GLN A 42 -9.548 -0.512 15.809 1.00 0.00 N ATOM 0 H GLN A 42 -10.766 -3.236 13.906 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.043 -1.864 13.615 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.345 -3.922 15.073 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.008 -2.211 14.902 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.546 -3.121 16.257 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.029 -3.135 17.134 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.051 -0.998 15.066 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.690 0.488 15.952 1.00 0.00 H new ATOM 611 N LEU A 43 -8.619 -3.754 11.505 1.00 0.00 N ATOM 612 CA LEU A 43 -7.981 -4.197 10.270 1.00 0.00 C ATOM 613 C LEU A 43 -8.512 -3.417 9.072 1.00 0.00 C ATOM 614 O LEU A 43 -9.669 -3.573 8.680 1.00 0.00 O ATOM 615 CB LEU A 43 -8.213 -5.695 10.062 1.00 0.00 C ATOM 616 CG LEU A 43 -7.470 -6.628 11.018 1.00 0.00 C ATOM 617 CD1 LEU A 43 -7.979 -8.054 10.876 1.00 0.00 C ATOM 618 CD2 LEU A 43 -5.971 -6.568 10.765 1.00 0.00 C ATOM 0 H LEU A 43 -9.638 -3.808 11.496 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.911 -4.010 10.356 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.281 -5.893 10.150 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.925 -5.949 9.042 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.660 -6.296 12.039 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.438 -8.704 11.564 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.044 -8.085 11.108 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.820 -8.397 9.854 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.458 -7.239 11.455 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.763 -6.874 9.740 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.617 -5.549 10.919 1.00 0.00 H new ATOM 630 N TYR A 44 -7.659 -2.580 8.493 1.00 0.00 N ATOM 631 CA TYR A 44 -8.043 -1.775 7.339 1.00 0.00 C ATOM 632 C TYR A 44 -7.913 -2.578 6.048 1.00 0.00 C ATOM 633 O TYR A 44 -6.821 -3.012 5.679 1.00 0.00 O ATOM 634 CB TYR A 44 -7.178 -0.516 7.259 1.00 0.00 C ATOM 635 CG TYR A 44 -7.595 0.568 8.227 1.00 0.00 C ATOM 636 CD1 TYR A 44 -7.383 0.425 9.593 1.00 0.00 C ATOM 637 CD2 TYR A 44 -8.202 1.733 7.777 1.00 0.00 C ATOM 638 CE1 TYR A 44 -7.763 1.412 10.482 1.00 0.00 C ATOM 639 CE2 TYR A 44 -8.584 2.726 8.658 1.00 0.00 C ATOM 640 CZ TYR A 44 -8.362 2.561 10.010 1.00 0.00 C ATOM 641 OH TYR A 44 -8.743 3.547 10.891 1.00 0.00 O ATOM 0 H TYR A 44 -6.697 -2.441 8.803 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.086 -1.484 7.461 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.140 -0.786 7.454 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.220 -0.121 6.244 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.913 -0.473 9.966 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.379 1.865 6.720 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.592 1.284 11.541 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.054 3.626 8.291 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.149 4.289 10.396 1.00 0.00 H new ATOM 651 N THR A 45 -9.036 -2.771 5.363 1.00 0.00 N ATOM 652 CA THR A 45 -9.050 -3.521 4.114 1.00 0.00 C ATOM 653 C THR A 45 -8.613 -2.647 2.943 1.00 0.00 C ATOM 654 O THR A 45 -9.368 -1.795 2.476 1.00 0.00 O ATOM 655 CB THR A 45 -10.449 -4.093 3.818 1.00 0.00 C ATOM 656 OG1 THR A 45 -11.005 -4.666 5.007 1.00 0.00 O ATOM 657 CG2 THR A 45 -10.382 -5.148 2.724 1.00 0.00 C ATOM 0 H THR A 45 -9.948 -2.418 5.653 1.00 0.00 H new ATOM 0 HA THR A 45 -8.346 -4.345 4.232 1.00 0.00 H new ATOM 0 HB THR A 45 -11.086 -3.278 3.476 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.895 -5.026 4.811 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.382 -5.537 2.532 1.00 0.00 H new ATOM 0 HG22 THR A 45 -9.985 -4.702 1.812 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.731 -5.962 3.043 1.00 0.00 H new ATOM 665 N VAL A 46 -7.389 -2.866 2.473 1.00 0.00 N ATOM 666 CA VAL A 46 -6.852 -2.099 1.355 1.00 0.00 C ATOM 667 C VAL A 46 -6.760 -2.955 0.096 1.00 0.00 C ATOM 668 O VAL A 46 -6.697 -4.182 0.169 1.00 0.00 O ATOM 669 CB VAL A 46 -5.457 -1.534 1.681 1.00 0.00 C ATOM 670 CG1 VAL A 46 -5.526 -0.600 2.880 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.470 -2.664 1.930 1.00 0.00 C ATOM 0 H VAL A 46 -6.751 -3.568 2.849 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.539 -1.271 1.179 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.107 -0.959 0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.531 -0.211 3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.200 0.228 2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.897 -1.147 3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.489 -2.247 2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.813 -3.268 2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.400 -3.289 1.039 1.00 0.00 H new ATOM 681 N LYS A 47 -6.753 -2.298 -1.059 1.00 0.00 N ATOM 682 CA LYS A 47 -6.667 -2.997 -2.336 1.00 0.00 C ATOM 683 C LYS A 47 -5.431 -2.558 -3.114 1.00 0.00 C ATOM 684 O LYS A 47 -5.166 -1.364 -3.255 1.00 0.00 O ATOM 685 CB LYS A 47 -7.925 -2.738 -3.168 1.00 0.00 C ATOM 686 CG LYS A 47 -8.150 -3.763 -4.266 1.00 0.00 C ATOM 687 CD LYS A 47 -9.443 -3.500 -5.019 1.00 0.00 C ATOM 688 CE LYS A 47 -9.719 -4.584 -6.049 1.00 0.00 C ATOM 689 NZ LYS A 47 -11.177 -4.751 -6.302 1.00 0.00 N ATOM 0 H LYS A 47 -6.806 -1.282 -1.137 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.587 -4.065 -2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.792 -2.730 -2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.856 -1.747 -3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.312 -3.741 -4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.178 -4.762 -3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.272 -3.448 -4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.386 -2.531 -5.515 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.215 -4.335 -6.983 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.300 -5.529 -5.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.323 -5.499 -7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.655 -5.014 -5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.572 -3.857 -6.657 1.00 0.00 H new ATOM 703 N TYR A 48 -4.679 -3.530 -3.619 1.00 0.00 N ATOM 704 CA TYR A 48 -3.470 -3.243 -4.382 1.00 0.00 C ATOM 705 C TYR A 48 -3.793 -3.047 -5.860 1.00 0.00 C ATOM 706 O TYR A 48 -4.853 -3.456 -6.337 1.00 0.00 O ATOM 707 CB TYR A 48 -2.456 -4.376 -4.216 1.00 0.00 C ATOM 708 CG TYR A 48 -1.920 -4.507 -2.809 1.00 0.00 C ATOM 709 CD1 TYR A 48 -2.682 -5.094 -1.806 1.00 0.00 C ATOM 710 CD2 TYR A 48 -0.652 -4.044 -2.481 1.00 0.00 C ATOM 711 CE1 TYR A 48 -2.197 -5.215 -0.518 1.00 0.00 C ATOM 712 CE2 TYR A 48 -0.158 -4.162 -1.197 1.00 0.00 C ATOM 713 CZ TYR A 48 -0.934 -4.748 -0.219 1.00 0.00 C ATOM 714 OH TYR A 48 -0.446 -4.867 1.062 1.00 0.00 O ATOM 0 H TYR A 48 -4.885 -4.523 -3.514 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.038 -2.319 -3.997 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.924 -5.317 -4.507 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.623 -4.210 -4.899 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.671 -5.462 -2.037 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.042 -3.584 -3.244 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.803 -5.672 0.250 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.831 -3.797 -0.960 1.00 0.00 H new ATOM 0 HH TYR A 48 0.458 -4.490 1.104 1.00 0.00 H new ATOM 724 N LYS A 49 -2.872 -2.419 -6.582 1.00 0.00 N ATOM 725 CA LYS A 49 -3.054 -2.169 -8.007 1.00 0.00 C ATOM 726 C LYS A 49 -3.285 -3.474 -8.763 1.00 0.00 C ATOM 727 O LYS A 49 -3.965 -3.496 -9.789 1.00 0.00 O ATOM 728 CB LYS A 49 -1.834 -1.444 -8.579 1.00 0.00 C ATOM 729 CG LYS A 49 -0.520 -2.156 -8.306 1.00 0.00 C ATOM 730 CD LYS A 49 -0.178 -3.141 -9.412 1.00 0.00 C ATOM 731 CE LYS A 49 1.320 -3.386 -9.496 1.00 0.00 C ATOM 732 NZ LYS A 49 1.799 -4.279 -8.405 1.00 0.00 N ATOM 0 H LYS A 49 -1.990 -2.073 -6.203 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.934 -1.538 -8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.960 -1.332 -9.656 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.788 -0.440 -8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.280 -1.422 -8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.582 -2.684 -7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.693 -4.085 -9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.539 -2.758 -10.366 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.561 -3.831 -10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.847 -2.433 -9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.825 -4.421 -8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.592 -3.843 -7.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.315 -5.197 -8.470 1.00 0.00 H new ATOM 746 N ASP A 50 -2.715 -4.558 -8.250 1.00 0.00 N ATOM 747 CA ASP A 50 -2.860 -5.867 -8.875 1.00 0.00 C ATOM 748 C ASP A 50 -4.281 -6.396 -8.706 1.00 0.00 C ATOM 749 O ASP A 50 -4.672 -7.373 -9.343 1.00 0.00 O ATOM 750 CB ASP A 50 -1.860 -6.857 -8.276 1.00 0.00 C ATOM 751 CG ASP A 50 -2.098 -8.278 -8.748 1.00 0.00 C ATOM 752 OD1 ASP A 50 -2.423 -8.461 -9.940 1.00 0.00 O ATOM 753 OD2 ASP A 50 -1.957 -9.207 -7.926 1.00 0.00 O ATOM 0 H ASP A 50 -2.148 -4.556 -7.402 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.656 -5.757 -9.940 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.848 -6.553 -8.543 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.926 -6.823 -7.189 1.00 0.00 H new ATOM 758 N GLY A 51 -5.051 -5.743 -7.840 1.00 0.00 N ATOM 759 CA GLY A 51 -6.420 -6.162 -7.601 1.00 0.00 C ATOM 760 C GLY A 51 -6.529 -7.165 -6.469 1.00 0.00 C ATOM 761 O GLY A 51 -7.328 -8.100 -6.533 1.00 0.00 O ATOM 0 H GLY A 51 -4.751 -4.931 -7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.029 -5.288 -7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.827 -6.601 -8.512 1.00 0.00 H new ATOM 765 N THR A 52 -5.723 -6.973 -5.430 1.00 0.00 N ATOM 766 CA THR A 52 -5.731 -7.870 -4.281 1.00 0.00 C ATOM 767 C THR A 52 -6.152 -7.135 -3.013 1.00 0.00 C ATOM 768 O THR A 52 -5.775 -5.984 -2.798 1.00 0.00 O ATOM 769 CB THR A 52 -4.347 -8.506 -4.056 1.00 0.00 C ATOM 770 OG1 THR A 52 -3.958 -9.256 -5.212 1.00 0.00 O ATOM 771 CG2 THR A 52 -4.361 -9.416 -2.836 1.00 0.00 C ATOM 0 H THR A 52 -5.056 -6.204 -5.360 1.00 0.00 H new ATOM 0 HA THR A 52 -6.453 -8.657 -4.499 1.00 0.00 H new ATOM 0 HB THR A 52 -3.628 -7.705 -3.884 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.076 -9.656 -5.061 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.372 -9.854 -2.697 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.628 -8.836 -1.953 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.092 -10.211 -2.983 1.00 0.00 H new ATOM 779 N GLU A 53 -6.937 -7.809 -2.177 1.00 0.00 N ATOM 780 CA GLU A 53 -7.409 -7.218 -0.931 1.00 0.00 C ATOM 781 C GLU A 53 -6.793 -7.925 0.274 1.00 0.00 C ATOM 782 O GLU A 53 -6.670 -9.151 0.293 1.00 0.00 O ATOM 783 CB GLU A 53 -8.935 -7.290 -0.852 1.00 0.00 C ATOM 784 CG GLU A 53 -9.639 -6.462 -1.914 1.00 0.00 C ATOM 785 CD GLU A 53 -11.102 -6.828 -2.065 1.00 0.00 C ATOM 786 OE1 GLU A 53 -11.388 -7.910 -2.620 1.00 0.00 O ATOM 787 OE2 GLU A 53 -11.962 -6.034 -1.631 1.00 0.00 O ATOM 0 H GLU A 53 -7.259 -8.763 -2.340 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.100 -6.173 -0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.247 -8.330 -0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.256 -6.951 0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.557 -5.405 -1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.134 -6.599 -2.870 1.00 0.00 H new ATOM 794 N LEU A 54 -6.408 -7.144 1.277 1.00 0.00 N ATOM 795 CA LEU A 54 -5.804 -7.694 2.486 1.00 0.00 C ATOM 796 C LEU A 54 -6.218 -6.891 3.715 1.00 0.00 C ATOM 797 O LEU A 54 -6.871 -5.854 3.599 1.00 0.00 O ATOM 798 CB LEU A 54 -4.280 -7.705 2.359 1.00 0.00 C ATOM 799 CG LEU A 54 -3.709 -8.513 1.193 1.00 0.00 C ATOM 800 CD1 LEU A 54 -2.229 -8.215 1.011 1.00 0.00 C ATOM 801 CD2 LEU A 54 -3.931 -10.001 1.416 1.00 0.00 C ATOM 0 H LEU A 54 -6.503 -6.128 1.277 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.159 -8.717 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.936 -6.675 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.861 -8.097 3.286 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.232 -8.220 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.840 -8.799 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.094 -7.153 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.690 -8.479 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.518 -10.560 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.435 -10.309 2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.999 -10.202 1.495 1.00 0.00 H new ATOM 813 N GLU A 55 -5.831 -7.376 4.890 1.00 0.00 N ATOM 814 CA GLU A 55 -6.161 -6.702 6.140 1.00 0.00 C ATOM 815 C GLU A 55 -4.904 -6.160 6.815 1.00 0.00 C ATOM 816 O GLU A 55 -4.022 -6.922 7.213 1.00 0.00 O ATOM 817 CB GLU A 55 -6.888 -7.660 7.086 1.00 0.00 C ATOM 818 CG GLU A 55 -8.395 -7.677 6.894 1.00 0.00 C ATOM 819 CD GLU A 55 -9.054 -8.874 7.553 1.00 0.00 C ATOM 820 OE1 GLU A 55 -8.505 -9.990 7.440 1.00 0.00 O ATOM 821 OE2 GLU A 55 -10.118 -8.694 8.181 1.00 0.00 O ATOM 0 H GLU A 55 -5.289 -8.233 5.003 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.818 -5.864 5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.500 -8.668 6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.664 -7.380 8.115 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.820 -6.761 7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.622 -7.684 5.828 1.00 0.00 H new ATOM 828 N LEU A 56 -4.829 -4.840 6.940 1.00 0.00 N ATOM 829 CA LEU A 56 -3.680 -4.195 7.566 1.00 0.00 C ATOM 830 C LEU A 56 -4.122 -3.281 8.705 1.00 0.00 C ATOM 831 O LEU A 56 -4.983 -2.420 8.526 1.00 0.00 O ATOM 832 CB LEU A 56 -2.893 -3.392 6.528 1.00 0.00 C ATOM 833 CG LEU A 56 -2.594 -4.108 5.211 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.869 -3.178 4.251 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.774 -5.365 5.461 1.00 0.00 C ATOM 0 H LEU A 56 -5.550 -4.195 6.616 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.037 -4.973 7.978 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.449 -2.481 6.305 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.947 -3.087 6.975 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.540 -4.401 4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.664 -3.705 3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.493 -2.308 4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.929 -2.854 4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.571 -5.862 4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.832 -5.096 5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.331 -6.039 6.111 1.00 0.00 H new ATOM 847 N LYS A 57 -3.525 -3.473 9.876 1.00 0.00 N ATOM 848 CA LYS A 57 -3.853 -2.665 11.044 1.00 0.00 C ATOM 849 C LYS A 57 -3.624 -1.184 10.763 1.00 0.00 C ATOM 850 O LYS A 57 -2.789 -0.822 9.935 1.00 0.00 O ATOM 851 CB LYS A 57 -3.012 -3.103 12.246 1.00 0.00 C ATOM 852 CG LYS A 57 -3.456 -4.425 12.849 1.00 0.00 C ATOM 853 CD LYS A 57 -2.311 -5.123 13.563 1.00 0.00 C ATOM 854 CE LYS A 57 -2.817 -6.226 14.481 1.00 0.00 C ATOM 855 NZ LYS A 57 -3.232 -5.695 15.809 1.00 0.00 N ATOM 0 H LYS A 57 -2.811 -4.182 10.041 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.908 -2.814 11.273 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.969 -3.185 11.939 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.058 -2.330 13.013 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.272 -4.250 13.551 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.845 -5.072 12.063 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.626 -5.545 12.828 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.745 -4.395 14.144 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.662 -6.730 14.011 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.035 -6.973 14.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.570 -6.477 16.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.420 -5.236 16.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.996 -5.001 15.682 1.00 0.00 H new ATOM 869 N GLU A 58 -4.370 -0.331 11.459 1.00 0.00 N ATOM 870 CA GLU A 58 -4.246 1.111 11.283 1.00 0.00 C ATOM 871 C GLU A 58 -2.781 1.536 11.291 1.00 0.00 C ATOM 872 O GLU A 58 -2.404 2.515 10.648 1.00 0.00 O ATOM 873 CB GLU A 58 -5.009 1.849 12.385 1.00 0.00 C ATOM 874 CG GLU A 58 -5.511 3.220 11.965 1.00 0.00 C ATOM 875 CD GLU A 58 -6.025 4.037 13.134 1.00 0.00 C ATOM 876 OE1 GLU A 58 -5.498 3.869 14.254 1.00 0.00 O ATOM 877 OE2 GLU A 58 -6.955 4.845 12.929 1.00 0.00 O ATOM 0 H GLU A 58 -5.066 -0.614 12.149 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.676 1.372 10.316 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.858 1.241 12.697 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.359 1.960 13.253 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.704 3.763 11.474 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.308 3.102 11.231 1.00 0.00 H new ATOM 884 N ASN A 59 -1.959 0.793 12.025 1.00 0.00 N ATOM 885 CA ASN A 59 -0.535 1.093 12.119 1.00 0.00 C ATOM 886 C ASN A 59 0.208 0.597 10.882 1.00 0.00 C ATOM 887 O ASN A 59 1.097 1.274 10.366 1.00 0.00 O ATOM 888 CB ASN A 59 0.061 0.455 13.376 1.00 0.00 C ATOM 889 CG ASN A 59 1.482 0.914 13.639 1.00 0.00 C ATOM 890 OD1 ASN A 59 2.402 0.100 13.728 1.00 0.00 O ATOM 891 ND2 ASN A 59 1.668 2.223 13.765 1.00 0.00 N ATOM 0 H ASN A 59 -2.255 -0.021 12.563 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.421 2.175 12.180 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.562 0.701 14.236 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.046 -0.630 13.272 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.603 2.591 13.943 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.876 2.861 13.684 1.00 0.00 H new ATOM 898 N ASP A 60 -0.163 -0.588 10.412 1.00 0.00 N ATOM 899 CA ASP A 60 0.466 -1.176 9.235 1.00 0.00 C ATOM 900 C ASP A 60 0.347 -0.243 8.033 1.00 0.00 C ATOM 901 O ASP A 60 1.123 -0.339 7.082 1.00 0.00 O ATOM 902 CB ASP A 60 -0.170 -2.529 8.912 1.00 0.00 C ATOM 903 CG ASP A 60 0.101 -3.566 9.983 1.00 0.00 C ATOM 904 OD1 ASP A 60 0.094 -3.201 11.177 1.00 0.00 O ATOM 905 OD2 ASP A 60 0.321 -4.743 9.628 1.00 0.00 O ATOM 0 H ASP A 60 -0.897 -1.161 10.828 1.00 0.00 H new ATOM 0 HA ASP A 60 1.523 -1.324 9.454 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.247 -2.403 8.797 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.213 -2.889 7.957 1.00 0.00 H new ATOM 910 N ILE A 61 -0.630 0.656 8.084 1.00 0.00 N ATOM 911 CA ILE A 61 -0.850 1.605 6.999 1.00 0.00 C ATOM 912 C ILE A 61 -0.213 2.955 7.312 1.00 0.00 C ATOM 913 O ILE A 61 -0.256 3.426 8.449 1.00 0.00 O ATOM 914 CB ILE A 61 -2.352 1.810 6.726 1.00 0.00 C ATOM 915 CG1 ILE A 61 -3.010 0.480 6.354 1.00 0.00 C ATOM 916 CG2 ILE A 61 -2.554 2.835 5.621 1.00 0.00 C ATOM 917 CD1 ILE A 61 -4.519 0.552 6.282 1.00 0.00 C ATOM 0 H ILE A 61 -1.281 0.747 8.864 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.382 1.182 6.110 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.824 2.186 7.634 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.624 0.150 5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.725 -0.275 7.087 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.620 2.969 5.440 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.115 3.786 5.922 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.072 2.486 4.708 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.918 -0.426 6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.916 0.852 7.252 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.813 1.283 5.529 1.00 0.00 H new ATOM 929 N LYS A 62 0.377 3.575 6.295 1.00 0.00 N ATOM 930 CA LYS A 62 1.020 4.873 6.459 1.00 0.00 C ATOM 931 C LYS A 62 1.107 5.609 5.126 1.00 0.00 C ATOM 932 O LYS A 62 1.452 5.020 4.102 1.00 0.00 O ATOM 933 CB LYS A 62 2.421 4.699 7.050 1.00 0.00 C ATOM 934 CG LYS A 62 3.376 3.946 6.141 1.00 0.00 C ATOM 935 CD LYS A 62 4.751 3.802 6.772 1.00 0.00 C ATOM 936 CE LYS A 62 5.630 5.006 6.472 1.00 0.00 C ATOM 937 NZ LYS A 62 7.078 4.674 6.571 1.00 0.00 N ATOM 0 H LYS A 62 0.423 3.199 5.348 1.00 0.00 H new ATOM 0 HA LYS A 62 0.414 5.467 7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.839 5.682 7.267 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.342 4.169 7.999 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.970 2.958 5.923 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.464 4.471 5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.647 3.686 7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.231 2.897 6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.410 5.376 5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.394 5.811 7.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.644 5.521 6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.294 4.345 7.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.310 3.924 5.889 1.00 0.00 H new ATOM 951 N SER A 63 0.792 6.901 5.147 1.00 0.00 N ATOM 952 CA SER A 63 0.833 7.717 3.940 1.00 0.00 C ATOM 953 C SER A 63 2.159 8.464 3.833 1.00 0.00 C ATOM 954 O SER A 63 2.845 8.680 4.831 1.00 0.00 O ATOM 955 CB SER A 63 -0.328 8.713 3.933 1.00 0.00 C ATOM 956 OG SER A 63 -0.227 9.622 5.015 1.00 0.00 O ATOM 0 H SER A 63 0.506 7.404 5.987 1.00 0.00 H new ATOM 0 HA SER A 63 0.739 7.054 3.080 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.334 9.263 2.992 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.274 8.174 3.994 1.00 0.00 H new ATOM 0 HG SER A 63 -0.980 10.249 4.987 1.00 0.00 H new