USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 490 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 59 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 63 SER OG : rot 156:sc= 1.2 USER MOD Set 2.1: A 39 HIS :FLIP no HD1:sc= -1.18 X(o=-2.4,f=-2.3) USER MOD Set 2.2: A 43 ASN :FLIP amide:sc= -1.11 F(o=-6.3!,f=-2.3) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -74:sc= 0.971 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -169:sc=-0.000725 (180deg=-0.124) USER MOD Single : A 34 CYS SG : rot 79:sc= 0.197 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0421 USER MOD Single : A 51 LYS NZ :NH3+ 170:sc=-0.00985 (180deg=-0.116) USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00107) USER MOD Single : A 56 SER OG : rot -80:sc= 0.747 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 30:sc= 0.406 USER MOD ----------------------------------------------------------------- ATOM 147 N LYS A 11 -1.334 -6.368 -1.269 1.00 0.00 N ATOM 148 CA LYS A 11 -0.612 -5.137 -0.968 1.00 0.00 C ATOM 149 C LYS A 11 -1.021 -4.569 0.349 1.00 0.00 C ATOM 150 O LYS A 11 -0.200 -4.084 1.099 1.00 0.00 O ATOM 151 CB LYS A 11 -0.868 -4.109 -2.037 1.00 0.00 C ATOM 152 CG LYS A 11 -0.234 -4.436 -3.350 1.00 0.00 C ATOM 153 CD LYS A 11 1.283 -4.341 -3.255 1.00 0.00 C ATOM 154 CE LYS A 11 1.957 -4.596 -4.587 1.00 0.00 C ATOM 155 NZ LYS A 11 3.436 -4.512 -4.475 1.00 0.00 N ATOM 0 HA LYS A 11 0.449 -5.385 -0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.944 -4.006 -2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.497 -3.143 -1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.522 -5.441 -3.658 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.599 -3.752 -4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.561 -3.351 -2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.645 -5.062 -2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.675 -5.582 -4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.605 -3.869 -5.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.865 -4.692 -5.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.706 -3.563 -4.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.774 -5.223 -3.795 1.00 0.00 H new ATOM 169 N PHE A 12 -2.283 -4.652 0.636 1.00 0.00 N ATOM 170 CA PHE A 12 -2.794 -4.107 1.873 1.00 0.00 C ATOM 171 C PHE A 12 -2.285 -4.875 3.091 1.00 0.00 C ATOM 172 O PHE A 12 -2.055 -4.281 4.148 1.00 0.00 O ATOM 173 CB PHE A 12 -4.312 -3.985 1.865 1.00 0.00 C ATOM 174 CG PHE A 12 -4.795 -2.763 1.133 1.00 0.00 C ATOM 175 CD1 PHE A 12 -5.646 -2.860 0.048 1.00 0.00 C ATOM 176 CD2 PHE A 12 -4.392 -1.508 1.548 1.00 0.00 C ATOM 177 CE1 PHE A 12 -6.089 -1.718 -0.601 1.00 0.00 C ATOM 178 CE2 PHE A 12 -4.822 -0.373 0.908 1.00 0.00 C ATOM 179 CZ PHE A 12 -5.672 -0.472 -0.163 1.00 0.00 C ATOM 0 H PHE A 12 -2.984 -5.089 0.038 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.401 -3.093 1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.741 -4.874 1.402 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.675 -3.955 2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.968 -3.832 -0.296 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.725 -1.419 2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.757 -1.800 -1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.491 0.597 1.248 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.016 0.420 -0.665 1.00 0.00 H new ATOM 189 N TYR A 13 -2.083 -6.191 2.943 1.00 0.00 N ATOM 190 CA TYR A 13 -1.538 -6.979 4.045 1.00 0.00 C ATOM 191 C TYR A 13 -0.086 -6.565 4.241 1.00 0.00 C ATOM 192 O TYR A 13 0.374 -6.355 5.364 1.00 0.00 O ATOM 193 CB TYR A 13 -1.590 -8.483 3.744 1.00 0.00 C ATOM 194 CG TYR A 13 -2.972 -9.037 3.478 1.00 0.00 C ATOM 195 CD1 TYR A 13 -3.360 -9.344 2.190 1.00 0.00 C ATOM 196 CD2 TYR A 13 -3.878 -9.262 4.507 1.00 0.00 C ATOM 197 CE1 TYR A 13 -4.607 -9.859 1.918 1.00 0.00 C ATOM 198 CE2 TYR A 13 -5.138 -9.779 4.245 1.00 0.00 C ATOM 199 CZ TYR A 13 -5.493 -10.076 2.944 1.00 0.00 C ATOM 200 OH TYR A 13 -6.738 -10.595 2.666 1.00 0.00 O ATOM 0 H TYR A 13 -2.284 -6.717 2.093 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.133 -6.796 4.940 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.961 -8.686 2.877 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.156 -9.022 4.586 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.669 -9.176 1.377 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.597 -9.031 5.524 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.887 -10.092 0.901 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.836 -9.948 5.052 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.683 -11.170 1.875 1.00 0.00 H new ATOM 210 N ASP A 14 0.616 -6.423 3.114 1.00 0.00 N ATOM 211 CA ASP A 14 2.015 -5.980 3.100 1.00 0.00 C ATOM 212 C ASP A 14 2.185 -4.608 3.707 1.00 0.00 C ATOM 213 O ASP A 14 3.106 -4.379 4.490 1.00 0.00 O ATOM 214 CB ASP A 14 2.552 -5.941 1.669 1.00 0.00 C ATOM 215 CG ASP A 14 2.810 -7.306 1.080 1.00 0.00 C ATOM 216 OD1 ASP A 14 3.428 -8.147 1.769 1.00 0.00 O ATOM 217 OD2 ASP A 14 2.430 -7.539 -0.086 1.00 0.00 O ATOM 0 H ASP A 14 0.233 -6.611 2.187 1.00 0.00 H new ATOM 0 HA ASP A 14 2.573 -6.701 3.698 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.839 -5.411 1.037 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.479 -5.367 1.654 1.00 0.00 H new ATOM 222 N ILE A 15 1.298 -3.704 3.352 1.00 0.00 N ATOM 223 CA ILE A 15 1.348 -2.344 3.849 1.00 0.00 C ATOM 224 C ILE A 15 1.217 -2.291 5.375 1.00 0.00 C ATOM 225 O ILE A 15 2.001 -1.614 6.045 1.00 0.00 O ATOM 226 CB ILE A 15 0.255 -1.490 3.166 1.00 0.00 C ATOM 227 CG1 ILE A 15 0.617 -1.251 1.694 1.00 0.00 C ATOM 228 CG2 ILE A 15 0.025 -0.173 3.900 1.00 0.00 C ATOM 229 CD1 ILE A 15 -0.505 -0.638 0.881 1.00 0.00 C ATOM 0 H ILE A 15 0.524 -3.889 2.713 1.00 0.00 H new ATOM 0 HA ILE A 15 2.324 -1.929 3.600 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.683 -2.043 3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.488 -0.597 1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.905 -2.200 1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.750 0.398 3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.290 -0.377 4.923 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.950 0.403 3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.175 -0.499 -0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.370 -1.300 0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.778 0.327 1.308 1.00 0.00 H new ATOM 241 N LEU A 16 0.229 -2.984 5.916 1.00 0.00 N ATOM 242 CA LEU A 16 0.088 -3.071 7.368 1.00 0.00 C ATOM 243 C LEU A 16 1.213 -3.876 8.017 1.00 0.00 C ATOM 244 O LEU A 16 1.566 -3.638 9.173 1.00 0.00 O ATOM 245 CB LEU A 16 -1.273 -3.641 7.778 1.00 0.00 C ATOM 246 CG LEU A 16 -2.486 -2.748 7.512 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.764 -3.472 7.897 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.368 -1.438 8.280 1.00 0.00 C ATOM 0 H LEU A 16 -0.480 -3.489 5.385 1.00 0.00 H new ATOM 0 HA LEU A 16 0.156 -2.047 7.735 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.421 -4.585 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.242 -3.869 8.843 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.519 -2.519 6.447 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.620 -2.826 7.703 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.857 -4.384 7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.733 -3.726 8.957 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.241 -0.817 8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.312 -1.646 9.348 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.467 -0.911 7.965 1.00 0.00 H new ATOM 260 N GLY A 17 1.791 -4.802 7.279 1.00 0.00 N ATOM 261 CA GLY A 17 2.818 -5.644 7.850 1.00 0.00 C ATOM 262 C GLY A 17 2.216 -6.868 8.501 1.00 0.00 C ATOM 263 O GLY A 17 2.795 -7.458 9.415 1.00 0.00 O ATOM 0 H GLY A 17 1.571 -4.988 6.300 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.518 -5.949 7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.388 -5.079 8.587 1.00 0.00 H new ATOM 267 N VAL A 18 1.030 -7.215 8.045 1.00 0.00 N ATOM 268 CA VAL A 18 0.311 -8.374 8.537 1.00 0.00 C ATOM 269 C VAL A 18 0.310 -9.469 7.487 1.00 0.00 C ATOM 270 O VAL A 18 0.490 -9.194 6.299 1.00 0.00 O ATOM 271 CB VAL A 18 -1.154 -8.029 8.896 1.00 0.00 C ATOM 272 CG1 VAL A 18 -1.199 -7.044 10.026 1.00 0.00 C ATOM 273 CG2 VAL A 18 -1.903 -7.487 7.684 1.00 0.00 C ATOM 0 H VAL A 18 0.534 -6.698 7.318 1.00 0.00 H new ATOM 0 HA VAL A 18 0.821 -8.713 9.439 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.649 -8.947 9.214 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.237 -6.812 10.266 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.711 -7.472 10.902 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.682 -6.130 9.733 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.930 -7.253 7.965 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.410 -6.583 7.326 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.906 -8.237 6.893 1.00 0.00 H new ATOM 283 N PRO A 19 0.149 -10.724 7.899 1.00 0.00 N ATOM 284 CA PRO A 19 0.051 -11.838 6.965 1.00 0.00 C ATOM 285 C PRO A 19 -1.265 -11.794 6.218 1.00 0.00 C ATOM 286 O PRO A 19 -2.194 -11.114 6.634 1.00 0.00 O ATOM 287 CB PRO A 19 0.076 -13.067 7.875 1.00 0.00 C ATOM 288 CG PRO A 19 -0.456 -12.575 9.170 1.00 0.00 C ATOM 289 CD PRO A 19 0.051 -11.170 9.306 1.00 0.00 C ATOM 0 HA PRO A 19 0.843 -11.828 6.216 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.538 -13.872 7.473 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.086 -13.461 7.984 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.546 -12.601 9.182 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.113 -13.197 9.997 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.633 -10.546 9.882 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.017 -11.135 9.811 1.00 0.00 H new ATOM 297 N VAL A 20 -1.346 -12.486 5.109 1.00 0.00 N ATOM 298 CA VAL A 20 -2.599 -12.597 4.392 1.00 0.00 C ATOM 299 C VAL A 20 -3.626 -13.274 5.315 1.00 0.00 C ATOM 300 O VAL A 20 -4.803 -12.929 5.337 1.00 0.00 O ATOM 301 CB VAL A 20 -2.438 -13.429 3.099 1.00 0.00 C ATOM 302 CG1 VAL A 20 -3.779 -13.657 2.429 1.00 0.00 C ATOM 303 CG2 VAL A 20 -1.464 -12.754 2.147 1.00 0.00 C ATOM 0 H VAL A 20 -0.563 -12.981 4.681 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.933 -11.600 4.106 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.031 -14.403 3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.637 -14.245 1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.439 -14.194 3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.226 -12.696 2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.364 -13.354 1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.838 -11.764 1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.491 -12.659 2.629 1.00 0.00 H new ATOM 313 N THR A 21 -3.126 -14.226 6.093 1.00 0.00 N ATOM 314 CA THR A 21 -3.927 -15.003 7.032 1.00 0.00 C ATOM 315 C THR A 21 -4.164 -14.205 8.348 1.00 0.00 C ATOM 316 O THR A 21 -4.557 -14.772 9.372 1.00 0.00 O ATOM 317 CB THR A 21 -3.186 -16.320 7.370 1.00 0.00 C ATOM 318 OG1 THR A 21 -2.576 -16.843 6.180 1.00 0.00 O ATOM 319 CG2 THR A 21 -4.139 -17.364 7.943 1.00 0.00 C ATOM 0 H THR A 21 -2.139 -14.484 6.090 1.00 0.00 H new ATOM 0 HA THR A 21 -4.891 -15.217 6.570 1.00 0.00 H new ATOM 0 HB THR A 21 -2.427 -16.098 8.121 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.105 -17.676 6.393 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.586 -18.276 8.169 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.594 -16.979 8.856 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.919 -17.584 7.214 1.00 0.00 H new ATOM 327 N ALA A 22 -3.947 -12.892 8.296 1.00 0.00 N ATOM 328 CA ALA A 22 -4.035 -12.031 9.479 1.00 0.00 C ATOM 329 C ALA A 22 -5.404 -12.024 10.132 1.00 0.00 C ATOM 330 O ALA A 22 -6.444 -12.132 9.468 1.00 0.00 O ATOM 331 CB ALA A 22 -3.639 -10.609 9.137 1.00 0.00 C ATOM 0 H ALA A 22 -3.706 -12.395 7.438 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.338 -12.457 10.201 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.711 -9.987 10.029 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.614 -10.596 8.767 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.307 -10.220 8.368 1.00 0.00 H new ATOM 337 N THR A 23 -5.381 -11.894 11.437 1.00 0.00 N ATOM 338 CA THR A 23 -6.571 -11.785 12.244 1.00 0.00 C ATOM 339 C THR A 23 -6.848 -10.304 12.534 1.00 0.00 C ATOM 340 O THR A 23 -5.979 -9.460 12.305 1.00 0.00 O ATOM 341 CB THR A 23 -6.398 -12.558 13.569 1.00 0.00 C ATOM 342 OG1 THR A 23 -5.238 -12.070 14.265 1.00 0.00 O ATOM 343 CG2 THR A 23 -6.241 -14.050 13.308 1.00 0.00 C ATOM 0 H THR A 23 -4.517 -11.860 11.978 1.00 0.00 H new ATOM 0 HA THR A 23 -7.412 -12.217 11.702 1.00 0.00 H new ATOM 0 HB THR A 23 -7.288 -12.402 14.178 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.428 -12.402 13.824 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.121 -14.574 14.256 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.127 -14.425 12.796 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.363 -14.220 12.685 1.00 0.00 H new ATOM 351 N ASP A 24 -8.033 -9.997 13.058 1.00 0.00 N ATOM 352 CA ASP A 24 -8.433 -8.610 13.338 1.00 0.00 C ATOM 353 C ASP A 24 -7.447 -7.934 14.271 1.00 0.00 C ATOM 354 O ASP A 24 -7.088 -6.779 14.075 1.00 0.00 O ATOM 355 CB ASP A 24 -9.805 -8.579 14.015 1.00 0.00 C ATOM 356 CG ASP A 24 -10.930 -9.066 13.140 1.00 0.00 C ATOM 357 OD1 ASP A 24 -11.690 -8.225 12.639 1.00 0.00 O ATOM 358 OD2 ASP A 24 -11.068 -10.307 12.965 1.00 0.00 O ATOM 0 H ASP A 24 -8.740 -10.691 13.300 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.461 -8.085 12.383 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.768 -9.191 14.916 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.020 -7.558 14.331 1.00 0.00 H new ATOM 363 N VAL A 25 -6.999 -8.663 15.273 1.00 0.00 N ATOM 364 CA VAL A 25 -6.077 -8.127 16.262 1.00 0.00 C ATOM 365 C VAL A 25 -4.727 -7.784 15.619 1.00 0.00 C ATOM 366 O VAL A 25 -4.153 -6.730 15.880 1.00 0.00 O ATOM 367 CB VAL A 25 -5.882 -9.116 17.432 1.00 0.00 C ATOM 368 CG1 VAL A 25 -4.802 -8.632 18.388 1.00 0.00 C ATOM 369 CG2 VAL A 25 -7.194 -9.325 18.173 1.00 0.00 C ATOM 0 H VAL A 25 -7.260 -9.637 15.427 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.512 -7.210 16.661 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.558 -10.070 17.016 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.688 -9.349 19.201 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.858 -8.537 17.852 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.086 -7.662 18.797 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.040 -10.024 18.995 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.544 -8.372 18.569 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.939 -9.729 17.487 1.00 0.00 H new ATOM 379 N GLU A 26 -4.246 -8.676 14.753 1.00 0.00 N ATOM 380 CA GLU A 26 -2.980 -8.460 14.045 1.00 0.00 C ATOM 381 C GLU A 26 -3.118 -7.265 13.128 1.00 0.00 C ATOM 382 O GLU A 26 -2.214 -6.445 13.001 1.00 0.00 O ATOM 383 CB GLU A 26 -2.611 -9.699 13.236 1.00 0.00 C ATOM 384 CG GLU A 26 -2.241 -10.893 14.090 1.00 0.00 C ATOM 385 CD GLU A 26 -2.018 -12.134 13.270 1.00 0.00 C ATOM 386 OE1 GLU A 26 -0.860 -12.569 13.141 1.00 0.00 O ATOM 387 OE2 GLU A 26 -3.012 -12.687 12.754 1.00 0.00 O ATOM 0 H GLU A 26 -4.711 -9.554 14.524 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.189 -8.272 14.771 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.451 -9.968 12.595 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.774 -9.459 12.580 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.337 -10.666 14.655 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.033 -11.077 14.816 1.00 0.00 H new ATOM 394 N ILE A 27 -4.268 -7.182 12.507 1.00 0.00 N ATOM 395 CA ILE A 27 -4.602 -6.096 11.623 1.00 0.00 C ATOM 396 C ILE A 27 -4.628 -4.755 12.367 1.00 0.00 C ATOM 397 O ILE A 27 -4.053 -3.766 11.904 1.00 0.00 O ATOM 398 CB ILE A 27 -5.960 -6.375 10.928 1.00 0.00 C ATOM 399 CG1 ILE A 27 -5.796 -7.535 9.936 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.487 -5.128 10.223 1.00 0.00 C ATOM 401 CD1 ILE A 27 -7.098 -8.073 9.391 1.00 0.00 C ATOM 0 H ILE A 27 -5.008 -7.877 12.603 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.827 -6.026 10.860 1.00 0.00 H new ATOM 0 HB ILE A 27 -6.692 -6.652 11.686 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.177 -7.201 9.103 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.258 -8.346 10.428 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.440 -5.355 9.745 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.628 -4.330 10.952 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.770 -4.807 9.467 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.893 -8.889 8.698 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -7.712 -8.440 10.213 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.630 -7.278 8.868 1.00 0.00 H new ATOM 413 N LYS A 28 -5.274 -4.731 13.524 1.00 0.00 N ATOM 414 CA LYS A 28 -5.376 -3.508 14.307 1.00 0.00 C ATOM 415 C LYS A 28 -4.042 -3.054 14.872 1.00 0.00 C ATOM 416 O LYS A 28 -3.753 -1.868 14.879 1.00 0.00 O ATOM 417 CB LYS A 28 -6.372 -3.654 15.434 1.00 0.00 C ATOM 418 CG LYS A 28 -7.799 -3.781 14.979 1.00 0.00 C ATOM 419 CD LYS A 28 -8.713 -3.863 16.159 1.00 0.00 C ATOM 420 CE LYS A 28 -10.163 -3.994 15.725 1.00 0.00 C ATOM 421 NZ LYS A 28 -11.091 -4.090 16.879 1.00 0.00 N ATOM 0 H LYS A 28 -5.734 -5.541 13.940 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.723 -2.744 13.612 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.111 -4.532 16.024 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.288 -2.790 16.093 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.068 -2.925 14.360 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.913 -4.671 14.359 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.437 -4.718 16.777 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.595 -2.972 16.776 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.436 -3.134 15.113 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.274 -4.879 15.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.068 -4.178 16.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.850 -4.925 17.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.007 -3.234 17.464 1.00 0.00 H new ATOM 435 N LYS A 29 -3.234 -3.989 15.356 1.00 0.00 N ATOM 436 CA LYS A 29 -1.950 -3.625 15.927 1.00 0.00 C ATOM 437 C LYS A 29 -1.037 -3.068 14.859 1.00 0.00 C ATOM 438 O LYS A 29 -0.302 -2.117 15.089 1.00 0.00 O ATOM 439 CB LYS A 29 -1.299 -4.812 16.638 1.00 0.00 C ATOM 440 CG LYS A 29 -1.040 -6.001 15.736 1.00 0.00 C ATOM 441 CD LYS A 29 -0.353 -7.125 16.472 1.00 0.00 C ATOM 442 CE LYS A 29 -1.252 -7.727 17.533 1.00 0.00 C ATOM 443 NZ LYS A 29 -0.594 -8.843 18.243 1.00 0.00 N ATOM 0 H LYS A 29 -3.442 -4.987 15.364 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.121 -2.850 16.674 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.355 -4.488 17.075 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.940 -5.126 17.461 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.985 -6.359 15.326 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.424 -5.690 14.892 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.057 -7.898 15.763 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.560 -6.752 16.936 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.534 -6.956 18.250 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.172 -8.083 17.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.241 -9.228 18.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.348 -9.590 17.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.271 -8.498 18.706 1.00 0.00 H new ATOM 457 N ALA A 30 -1.095 -3.664 13.693 1.00 0.00 N ATOM 458 CA ALA A 30 -0.350 -3.199 12.564 1.00 0.00 C ATOM 459 C ALA A 30 -0.811 -1.825 12.172 1.00 0.00 C ATOM 460 O ALA A 30 -0.001 -0.961 11.862 1.00 0.00 O ATOM 461 CB ALA A 30 -0.496 -4.149 11.410 1.00 0.00 C ATOM 0 H ALA A 30 -1.665 -4.489 13.507 1.00 0.00 H new ATOM 0 HA ALA A 30 0.704 -3.151 12.838 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.077 -3.780 10.560 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.124 -5.132 11.699 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.547 -4.226 11.133 1.00 0.00 H new ATOM 467 N TYR A 31 -2.122 -1.619 12.190 1.00 0.00 N ATOM 468 CA TYR A 31 -2.665 -0.326 11.881 1.00 0.00 C ATOM 469 C TYR A 31 -2.231 0.696 12.897 1.00 0.00 C ATOM 470 O TYR A 31 -1.738 1.754 12.534 1.00 0.00 O ATOM 471 CB TYR A 31 -4.184 -0.353 11.783 1.00 0.00 C ATOM 472 CG TYR A 31 -4.786 1.034 11.689 1.00 0.00 C ATOM 473 CD1 TYR A 31 -4.639 1.804 10.542 1.00 0.00 C ATOM 474 CD2 TYR A 31 -5.491 1.577 12.756 1.00 0.00 C ATOM 475 CE1 TYR A 31 -5.175 3.074 10.464 1.00 0.00 C ATOM 476 CE2 TYR A 31 -6.032 2.842 12.683 1.00 0.00 C ATOM 477 CZ TYR A 31 -5.870 3.587 11.536 1.00 0.00 C ATOM 478 OH TYR A 31 -6.402 4.855 11.463 1.00 0.00 O ATOM 0 H TYR A 31 -2.815 -2.333 12.415 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.273 -0.043 10.904 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.478 -0.933 10.908 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -4.592 -0.864 12.655 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.097 1.403 9.698 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.617 0.997 13.658 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.050 3.662 9.567 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.580 3.247 13.521 1.00 0.00 H new ATOM 0 HH TYR A 31 -6.862 5.065 12.302 1.00 0.00 H new ATOM 488 N ARG A 32 -2.407 0.380 14.183 1.00 0.00 N ATOM 489 CA ARG A 32 -2.026 1.321 15.213 1.00 0.00 C ATOM 490 C ARG A 32 -0.531 1.613 15.182 1.00 0.00 C ATOM 491 O ARG A 32 -0.134 2.743 15.340 1.00 0.00 O ATOM 492 CB ARG A 32 -2.459 0.873 16.605 1.00 0.00 C ATOM 493 CG ARG A 32 -1.740 -0.340 17.108 1.00 0.00 C ATOM 494 CD ARG A 32 -2.217 -0.729 18.488 1.00 0.00 C ATOM 495 NE ARG A 32 -3.616 -1.157 18.475 1.00 0.00 N ATOM 496 CZ ARG A 32 -4.312 -1.518 19.554 1.00 0.00 C ATOM 497 NH1 ARG A 32 -3.736 -1.539 20.751 1.00 0.00 N ATOM 498 NH2 ARG A 32 -5.583 -1.865 19.428 1.00 0.00 N ATOM 0 H ARG A 32 -2.801 -0.499 14.520 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.559 2.246 14.992 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.299 1.693 17.305 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.530 0.668 16.593 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.897 -1.170 16.419 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.668 -0.145 17.133 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.593 -1.535 18.875 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.101 0.117 19.165 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.094 -1.181 17.574 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.755 -1.278 20.850 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.275 -1.816 21.571 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.026 -1.856 18.509 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.120 -2.142 20.250 1.00 0.00 H new ATOM 512 N LYS A 33 0.294 0.597 14.935 1.00 0.00 N ATOM 513 CA LYS A 33 1.732 0.829 14.876 1.00 0.00 C ATOM 514 C LYS A 33 2.084 1.627 13.641 1.00 0.00 C ATOM 515 O LYS A 33 2.806 2.586 13.731 1.00 0.00 O ATOM 516 CB LYS A 33 2.529 -0.494 14.961 1.00 0.00 C ATOM 517 CG LYS A 33 2.561 -1.303 13.683 1.00 0.00 C ATOM 518 CD LYS A 33 2.957 -2.758 13.942 1.00 0.00 C ATOM 519 CE LYS A 33 4.406 -2.900 14.376 1.00 0.00 C ATOM 520 NZ LYS A 33 5.346 -2.551 13.285 1.00 0.00 N ATOM 0 H LYS A 33 0.001 -0.367 14.777 1.00 0.00 H new ATOM 0 HA LYS A 33 2.020 1.417 15.748 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.554 -0.265 15.255 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.100 -1.109 15.752 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.580 -1.272 13.208 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.267 -0.853 12.985 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.308 -3.176 14.712 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.794 -3.342 13.036 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.592 -2.256 15.236 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.589 -3.925 14.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.310 -2.835 13.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.068 -3.048 12.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.321 -1.524 13.120 1.00 0.00 H new ATOM 534 N CYS A 34 1.514 1.278 12.501 1.00 0.00 N ATOM 535 CA CYS A 34 1.811 2.017 11.279 1.00 0.00 C ATOM 536 C CYS A 34 1.339 3.470 11.393 1.00 0.00 C ATOM 537 O CYS A 34 2.058 4.401 11.015 1.00 0.00 O ATOM 538 CB CYS A 34 1.174 1.341 10.065 1.00 0.00 C ATOM 539 SG CYS A 34 1.926 -0.247 9.630 1.00 0.00 S ATOM 0 H CYS A 34 0.857 0.506 12.392 1.00 0.00 H new ATOM 0 HA CYS A 34 2.892 2.018 11.142 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.113 1.187 10.262 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.245 2.012 9.209 1.00 0.00 H new ATOM 0 HG CYS A 34 1.477 -1.172 10.426 1.00 0.00 H new ATOM 545 N ALA A 35 0.141 3.656 11.935 1.00 0.00 N ATOM 546 CA ALA A 35 -0.422 4.983 12.105 1.00 0.00 C ATOM 547 C ALA A 35 0.336 5.788 13.157 1.00 0.00 C ATOM 548 O ALA A 35 0.720 6.901 12.914 1.00 0.00 O ATOM 549 CB ALA A 35 -1.893 4.890 12.476 1.00 0.00 C ATOM 0 H ALA A 35 -0.458 2.899 12.264 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.325 5.505 11.153 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.301 5.893 12.600 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.436 4.373 11.685 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.999 4.337 13.410 1.00 0.00 H new ATOM 555 N LEU A 36 0.565 5.198 14.319 1.00 0.00 N ATOM 556 CA LEU A 36 1.268 5.895 15.389 1.00 0.00 C ATOM 557 C LEU A 36 2.684 6.250 14.967 1.00 0.00 C ATOM 558 O LEU A 36 3.174 7.344 15.243 1.00 0.00 O ATOM 559 CB LEU A 36 1.293 5.062 16.676 1.00 0.00 C ATOM 560 CG LEU A 36 -0.063 4.826 17.360 1.00 0.00 C ATOM 561 CD1 LEU A 36 0.109 3.968 18.600 1.00 0.00 C ATOM 562 CD2 LEU A 36 -0.731 6.148 17.701 1.00 0.00 C ATOM 0 H LEU A 36 0.278 4.246 14.547 1.00 0.00 H new ATOM 0 HA LEU A 36 0.723 6.817 15.591 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.734 4.092 16.447 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.955 5.553 17.389 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.711 4.292 16.665 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.861 3.811 19.071 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.536 3.005 18.320 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.776 4.471 19.301 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.689 5.957 18.184 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.091 6.716 18.376 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.893 6.720 16.787 1.00 0.00 H new ATOM 574 N LYS A 37 3.324 5.331 14.284 1.00 0.00 N ATOM 575 CA LYS A 37 4.679 5.526 13.816 1.00 0.00 C ATOM 576 C LYS A 37 4.796 6.634 12.748 1.00 0.00 C ATOM 577 O LYS A 37 5.777 7.366 12.738 1.00 0.00 O ATOM 578 CB LYS A 37 5.247 4.213 13.274 1.00 0.00 C ATOM 579 CG LYS A 37 5.509 3.151 14.338 1.00 0.00 C ATOM 580 CD LYS A 37 5.883 1.823 13.712 1.00 0.00 C ATOM 581 CE LYS A 37 7.210 1.921 12.959 1.00 0.00 C ATOM 582 NZ LYS A 37 7.614 0.632 12.345 1.00 0.00 N ATOM 0 H LYS A 37 2.922 4.427 14.036 1.00 0.00 H new ATOM 0 HA LYS A 37 5.262 5.854 14.677 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.553 3.808 12.537 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.180 4.424 12.751 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.311 3.484 14.997 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.620 3.026 14.956 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.957 1.061 14.487 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.096 1.506 13.028 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.127 2.680 12.181 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.989 2.252 13.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.519 0.753 11.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.721 -0.088 13.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.885 0.326 11.669 1.00 0.00 H new ATOM 596 N TYR A 38 3.815 6.726 11.822 1.00 0.00 N ATOM 597 CA TYR A 38 3.913 7.686 10.694 1.00 0.00 C ATOM 598 C TYR A 38 2.710 8.650 10.556 1.00 0.00 C ATOM 599 O TYR A 38 2.535 9.252 9.508 1.00 0.00 O ATOM 600 CB TYR A 38 4.082 6.880 9.406 1.00 0.00 C ATOM 601 CG TYR A 38 5.291 5.972 9.429 1.00 0.00 C ATOM 602 CD1 TYR A 38 5.178 4.662 9.877 1.00 0.00 C ATOM 603 CD2 TYR A 38 6.540 6.415 9.016 1.00 0.00 C ATOM 604 CE1 TYR A 38 6.266 3.821 9.915 1.00 0.00 C ATOM 605 CE2 TYR A 38 7.639 5.575 9.049 1.00 0.00 C ATOM 606 CZ TYR A 38 7.493 4.275 9.503 1.00 0.00 C ATOM 607 OH TYR A 38 8.577 3.426 9.535 1.00 0.00 O ATOM 0 H TYR A 38 2.965 6.163 11.829 1.00 0.00 H new ATOM 0 HA TYR A 38 4.769 8.330 10.895 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.187 6.280 9.240 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.166 7.566 8.563 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.215 4.296 10.202 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.656 7.429 8.664 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.154 2.806 10.268 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.605 5.931 8.723 1.00 0.00 H new ATOM 0 HH TYR A 38 9.372 3.898 9.210 1.00 0.00 H new ATOM 617 N HIS A 39 1.911 8.815 11.597 1.00 0.00 N ATOM 618 CA HIS A 39 0.739 9.716 11.510 1.00 0.00 C ATOM 619 C HIS A 39 1.146 11.165 11.230 1.00 0.00 C ATOM 620 O HIS A 39 2.004 11.715 11.909 1.00 0.00 O ATOM 621 CB HIS A 39 -0.146 9.634 12.780 1.00 0.00 C ATOM 622 CG HIS A 39 0.557 9.922 14.088 1.00 0.00 C ATOM 623 ND1 HIS A 39 1.874 9.933 14.416 1.00 0.00 N flip ATOM 624 CD2 HIS A 39 -0.120 10.191 15.253 1.00 0.00 C flip ATOM 625 CE1 HIS A 39 1.958 10.200 15.756 1.00 0.00 C flip ATOM 626 NE2 HIS A 39 0.744 10.352 16.238 1.00 0.00 N flip ATOM 0 H HIS A 39 2.034 8.355 12.499 1.00 0.00 H new ATOM 0 HA HIS A 39 0.147 9.369 10.663 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.973 10.336 12.671 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.580 8.636 12.834 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.194 10.260 15.348 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.873 10.274 16.325 1.00 0.00 H new ATOM 0 HE2 HIS A 39 0.510 10.559 17.209 1.00 0.00 H new ATOM 634 N PRO A 40 0.481 11.806 10.247 1.00 0.00 N ATOM 635 CA PRO A 40 0.794 13.183 9.808 1.00 0.00 C ATOM 636 C PRO A 40 0.588 14.226 10.901 1.00 0.00 C ATOM 637 O PRO A 40 1.143 15.324 10.832 1.00 0.00 O ATOM 638 CB PRO A 40 -0.185 13.422 8.650 1.00 0.00 C ATOM 639 CG PRO A 40 -1.279 12.438 8.871 1.00 0.00 C ATOM 640 CD PRO A 40 -0.625 11.231 9.463 1.00 0.00 C ATOM 0 HA PRO A 40 1.844 13.281 9.531 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.564 14.444 8.657 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.298 13.267 7.685 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.038 12.841 9.542 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.779 12.192 7.934 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.314 10.666 10.091 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.263 10.550 8.693 1.00 0.00 H new ATOM 648 N ASP A 41 -0.206 13.880 11.906 1.00 0.00 N ATOM 649 CA ASP A 41 -0.471 14.781 13.031 1.00 0.00 C ATOM 650 C ASP A 41 0.795 15.084 13.816 1.00 0.00 C ATOM 651 O ASP A 41 0.890 16.116 14.474 1.00 0.00 O ATOM 652 CB ASP A 41 -1.541 14.207 13.967 1.00 0.00 C ATOM 653 CG ASP A 41 -2.930 14.247 13.365 1.00 0.00 C ATOM 654 OD1 ASP A 41 -3.504 15.348 13.265 1.00 0.00 O ATOM 655 OD2 ASP A 41 -3.450 13.181 12.988 1.00 0.00 O ATOM 0 H ASP A 41 -0.681 12.980 11.969 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.844 15.713 12.607 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.286 13.176 14.214 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.539 14.768 14.901 1.00 0.00 H new ATOM 660 N LYS A 42 1.768 14.184 13.750 1.00 0.00 N ATOM 661 CA LYS A 42 3.023 14.370 14.470 1.00 0.00 C ATOM 662 C LYS A 42 4.211 14.225 13.524 1.00 0.00 C ATOM 663 O LYS A 42 5.250 14.856 13.712 1.00 0.00 O ATOM 664 CB LYS A 42 3.141 13.375 15.635 1.00 0.00 C ATOM 665 CG LYS A 42 2.024 13.489 16.666 1.00 0.00 C ATOM 666 CD LYS A 42 2.015 14.855 17.331 1.00 0.00 C ATOM 667 CE LYS A 42 0.922 14.958 18.382 1.00 0.00 C ATOM 668 NZ LYS A 42 0.884 16.301 19.010 1.00 0.00 N ATOM 0 H LYS A 42 1.714 13.322 13.208 1.00 0.00 H new ATOM 0 HA LYS A 42 3.029 15.379 14.882 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.149 12.362 15.234 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.098 13.528 16.134 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.063 13.312 16.183 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.147 12.715 17.424 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.984 15.042 17.794 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.868 15.627 16.576 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.044 14.744 17.924 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.085 14.202 19.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.125 16.330 19.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.797 16.495 19.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.703 17.020 18.281 1.00 0.00 H new ATOM 682 N ASN A 43 4.030 13.411 12.496 1.00 0.00 N ATOM 683 CA ASN A 43 5.060 13.143 11.516 1.00 0.00 C ATOM 684 C ASN A 43 4.754 13.895 10.235 1.00 0.00 C ATOM 685 O ASN A 43 3.826 13.553 9.509 1.00 0.00 O ATOM 686 CB ASN A 43 5.120 11.652 11.275 1.00 0.00 C ATOM 687 CG ASN A 43 5.438 10.926 12.557 1.00 0.00 C ATOM 688 OD1 ASN A 43 4.795 9.817 12.774 1.00 0.00 O flip ATOM 689 ND2 ASN A 43 6.224 11.396 13.370 1.00 0.00 N flip ATOM 0 H ASN A 43 3.156 12.916 12.321 1.00 0.00 H new ATOM 0 HA ASN A 43 6.030 13.482 11.879 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.167 11.302 10.878 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.879 11.428 10.525 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.710 12.269 13.164 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.393 10.915 14.253 1.00 0.00 H new ATOM 696 N PRO A 44 5.528 14.948 9.958 1.00 0.00 N ATOM 697 CA PRO A 44 5.291 15.844 8.820 1.00 0.00 C ATOM 698 C PRO A 44 5.685 15.268 7.458 1.00 0.00 C ATOM 699 O PRO A 44 5.331 15.837 6.422 1.00 0.00 O ATOM 700 CB PRO A 44 6.159 17.050 9.154 1.00 0.00 C ATOM 701 CG PRO A 44 7.293 16.484 9.931 1.00 0.00 C ATOM 702 CD PRO A 44 6.715 15.358 10.742 1.00 0.00 C ATOM 0 HA PRO A 44 4.227 16.054 8.707 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.507 17.552 8.251 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.607 17.788 9.736 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.080 16.124 9.268 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.741 17.240 10.576 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.425 14.539 10.856 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.441 15.684 11.745 1.00 0.00 H new ATOM 710 N SER A 45 6.420 14.166 7.451 1.00 0.00 N ATOM 711 CA SER A 45 6.888 13.585 6.207 1.00 0.00 C ATOM 712 C SER A 45 5.717 13.179 5.341 1.00 0.00 C ATOM 713 O SER A 45 4.763 12.554 5.812 1.00 0.00 O ATOM 714 CB SER A 45 7.737 12.377 6.485 1.00 0.00 C ATOM 715 OG SER A 45 8.490 12.548 7.682 1.00 0.00 O ATOM 0 H SER A 45 6.703 13.660 8.290 1.00 0.00 H new ATOM 0 HA SER A 45 7.481 14.334 5.683 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.103 11.495 6.573 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.413 12.202 5.648 1.00 0.00 H new ATOM 0 HG SER A 45 9.034 11.749 7.844 1.00 0.00 H new ATOM 721 N GLU A 46 5.799 13.530 4.087 1.00 0.00 N ATOM 722 CA GLU A 46 4.742 13.223 3.140 1.00 0.00 C ATOM 723 C GLU A 46 4.568 11.730 3.004 1.00 0.00 C ATOM 724 O GLU A 46 3.457 11.236 2.990 1.00 0.00 O ATOM 725 CB GLU A 46 5.033 13.819 1.768 1.00 0.00 C ATOM 726 CG GLU A 46 4.953 15.328 1.698 1.00 0.00 C ATOM 727 CD GLU A 46 5.161 15.834 0.287 1.00 0.00 C ATOM 728 OE1 GLU A 46 4.155 16.171 -0.382 1.00 0.00 O ATOM 729 OE2 GLU A 46 6.316 15.879 -0.171 1.00 0.00 O ATOM 0 H GLU A 46 6.591 14.033 3.687 1.00 0.00 H new ATOM 0 HA GLU A 46 3.824 13.665 3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.030 13.508 1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.330 13.399 1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.981 15.658 2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.705 15.763 2.356 1.00 0.00 H new ATOM 736 N GLU A 47 5.685 11.022 2.953 1.00 0.00 N ATOM 737 CA GLU A 47 5.696 9.569 2.816 1.00 0.00 C ATOM 738 C GLU A 47 5.023 8.934 4.008 1.00 0.00 C ATOM 739 O GLU A 47 4.280 7.970 3.880 1.00 0.00 O ATOM 740 CB GLU A 47 7.131 9.090 2.767 1.00 0.00 C ATOM 741 CG GLU A 47 7.893 9.480 1.509 1.00 0.00 C ATOM 742 CD GLU A 47 7.319 8.880 0.245 1.00 0.00 C ATOM 743 OE1 GLU A 47 7.209 7.641 0.168 1.00 0.00 O ATOM 744 OE2 GLU A 47 7.013 9.635 -0.689 1.00 0.00 O ATOM 0 H GLU A 47 6.615 11.438 3.005 1.00 0.00 H new ATOM 0 HA GLU A 47 5.166 9.292 1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.661 9.486 3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.140 8.004 2.858 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.895 10.566 1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.932 9.166 1.611 1.00 0.00 H new ATOM 751 N ALA A 48 5.300 9.493 5.169 1.00 0.00 N ATOM 752 CA ALA A 48 4.734 9.003 6.412 1.00 0.00 C ATOM 753 C ALA A 48 3.243 9.142 6.373 1.00 0.00 C ATOM 754 O ALA A 48 2.498 8.233 6.744 1.00 0.00 O ATOM 755 CB ALA A 48 5.317 9.763 7.596 1.00 0.00 C ATOM 0 H ALA A 48 5.920 10.295 5.279 1.00 0.00 H new ATOM 0 HA ALA A 48 4.986 7.949 6.531 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.883 9.384 8.521 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.398 9.626 7.620 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.088 10.824 7.496 1.00 0.00 H new ATOM 761 N ALA A 49 2.826 10.270 5.886 1.00 0.00 N ATOM 762 CA ALA A 49 1.423 10.572 5.722 1.00 0.00 C ATOM 763 C ALA A 49 0.789 9.631 4.707 1.00 0.00 C ATOM 764 O ALA A 49 -0.346 9.180 4.883 1.00 0.00 O ATOM 765 CB ALA A 49 1.237 12.019 5.310 1.00 0.00 C ATOM 0 H ALA A 49 3.450 11.019 5.586 1.00 0.00 H new ATOM 0 HA ALA A 49 0.922 10.424 6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.174 12.230 5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.653 12.672 6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.750 12.197 4.365 1.00 0.00 H new ATOM 771 N GLU A 50 1.538 9.339 3.639 1.00 0.00 N ATOM 772 CA GLU A 50 1.070 8.436 2.594 1.00 0.00 C ATOM 773 C GLU A 50 0.850 7.062 3.185 1.00 0.00 C ATOM 774 O GLU A 50 -0.147 6.396 2.906 1.00 0.00 O ATOM 775 CB GLU A 50 2.106 8.324 1.478 1.00 0.00 C ATOM 776 CG GLU A 50 2.447 9.635 0.814 1.00 0.00 C ATOM 777 CD GLU A 50 3.231 9.453 -0.467 1.00 0.00 C ATOM 778 OE1 GLU A 50 3.774 10.452 -0.984 1.00 0.00 O ATOM 779 OE2 GLU A 50 3.289 8.315 -0.977 1.00 0.00 O ATOM 0 H GLU A 50 2.472 9.718 3.479 1.00 0.00 H new ATOM 0 HA GLU A 50 0.141 8.831 2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.018 7.889 1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.735 7.633 0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.527 10.179 0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.025 10.248 1.505 1.00 0.00 H new ATOM 786 N LYS A 51 1.786 6.662 4.025 1.00 0.00 N ATOM 787 CA LYS A 51 1.719 5.387 4.713 1.00 0.00 C ATOM 788 C LYS A 51 0.498 5.332 5.604 1.00 0.00 C ATOM 789 O LYS A 51 -0.177 4.316 5.675 1.00 0.00 O ATOM 790 CB LYS A 51 2.975 5.180 5.544 1.00 0.00 C ATOM 791 CG LYS A 51 4.220 4.923 4.718 1.00 0.00 C ATOM 792 CD LYS A 51 5.464 4.941 5.584 1.00 0.00 C ATOM 793 CE LYS A 51 5.414 3.866 6.660 1.00 0.00 C ATOM 794 NZ LYS A 51 5.361 2.498 6.089 1.00 0.00 N ATOM 0 H LYS A 51 2.615 7.213 4.250 1.00 0.00 H new ATOM 0 HA LYS A 51 1.646 4.593 3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.138 6.061 6.165 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.818 4.339 6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.135 3.958 4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.305 5.680 3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.345 4.791 4.960 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.568 5.920 6.052 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.291 3.956 7.301 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.540 4.028 7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.499 1.800 6.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.435 2.345 5.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.112 2.389 5.378 1.00 0.00 H new ATOM 808 N PHE A 52 0.220 6.436 6.281 1.00 0.00 N ATOM 809 CA PHE A 52 -0.961 6.545 7.109 1.00 0.00 C ATOM 810 C PHE A 52 -2.223 6.351 6.260 1.00 0.00 C ATOM 811 O PHE A 52 -3.134 5.608 6.637 1.00 0.00 O ATOM 812 CB PHE A 52 -1.005 7.890 7.840 1.00 0.00 C ATOM 813 CG PHE A 52 -2.241 8.065 8.685 1.00 0.00 C ATOM 814 CD1 PHE A 52 -2.311 7.523 9.955 1.00 0.00 C ATOM 815 CD2 PHE A 52 -3.340 8.758 8.197 1.00 0.00 C ATOM 816 CE1 PHE A 52 -3.449 7.669 10.725 1.00 0.00 C ATOM 817 CE2 PHE A 52 -4.479 8.906 8.964 1.00 0.00 C ATOM 818 CZ PHE A 52 -4.533 8.361 10.228 1.00 0.00 C ATOM 0 H PHE A 52 0.804 7.272 6.269 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.920 5.759 7.863 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.123 7.981 8.474 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.956 8.696 7.108 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.466 6.979 10.350 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.304 9.186 7.206 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.489 7.241 11.716 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.327 9.449 8.573 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.423 8.476 10.829 1.00 0.00 H new ATOM 828 N LYS A 53 -2.268 7.025 5.112 1.00 0.00 N ATOM 829 CA LYS A 53 -3.412 6.928 4.204 1.00 0.00 C ATOM 830 C LYS A 53 -3.609 5.487 3.725 1.00 0.00 C ATOM 831 O LYS A 53 -4.733 4.990 3.666 1.00 0.00 O ATOM 832 CB LYS A 53 -3.195 7.832 2.985 1.00 0.00 C ATOM 833 CG LYS A 53 -3.227 9.328 3.269 1.00 0.00 C ATOM 834 CD LYS A 53 -4.614 9.789 3.687 1.00 0.00 C ATOM 835 CE LYS A 53 -4.712 11.311 3.718 1.00 0.00 C ATOM 836 NZ LYS A 53 -3.780 11.920 4.699 1.00 0.00 N ATOM 0 H LYS A 53 -1.526 7.645 4.788 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.300 7.247 4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.233 7.585 2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.960 7.603 2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.512 9.565 4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.914 9.875 2.379 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.355 9.390 2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.850 9.388 4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.498 11.706 2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.734 11.601 3.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.897 12.953 4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.988 11.553 5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.801 11.681 4.442 1.00 0.00 H new ATOM 850 N GLU A 54 -2.520 4.828 3.389 1.00 0.00 N ATOM 851 CA GLU A 54 -2.574 3.449 2.927 1.00 0.00 C ATOM 852 C GLU A 54 -2.936 2.494 4.058 1.00 0.00 C ATOM 853 O GLU A 54 -3.724 1.566 3.871 1.00 0.00 O ATOM 854 CB GLU A 54 -1.248 3.064 2.302 1.00 0.00 C ATOM 855 CG GLU A 54 -0.948 3.850 1.050 1.00 0.00 C ATOM 856 CD GLU A 54 0.396 3.518 0.449 1.00 0.00 C ATOM 857 OE1 GLU A 54 1.418 3.682 1.141 1.00 0.00 O ATOM 858 OE2 GLU A 54 0.437 3.106 -0.730 1.00 0.00 O ATOM 0 H GLU A 54 -1.581 5.224 3.426 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.358 3.371 2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.449 3.223 3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.257 2.000 2.065 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.727 3.657 0.312 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.983 4.915 1.280 1.00 0.00 H new ATOM 865 N ALA A 55 -2.376 2.744 5.234 1.00 0.00 N ATOM 866 CA ALA A 55 -2.633 1.917 6.402 1.00 0.00 C ATOM 867 C ALA A 55 -4.089 2.012 6.804 1.00 0.00 C ATOM 868 O ALA A 55 -4.714 1.019 7.169 1.00 0.00 O ATOM 869 CB ALA A 55 -1.734 2.326 7.560 1.00 0.00 C ATOM 0 H ALA A 55 -1.736 3.520 5.403 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.409 0.882 6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.943 1.694 8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.690 2.209 7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.924 3.368 7.818 1.00 0.00 H new ATOM 875 N SER A 56 -4.627 3.217 6.726 1.00 0.00 N ATOM 876 CA SER A 56 -5.994 3.451 7.076 1.00 0.00 C ATOM 877 C SER A 56 -6.955 2.804 6.075 1.00 0.00 C ATOM 878 O SER A 56 -7.961 2.236 6.476 1.00 0.00 O ATOM 879 CB SER A 56 -6.250 4.950 7.255 1.00 0.00 C ATOM 880 OG SER A 56 -5.896 5.675 6.098 1.00 0.00 O ATOM 0 H SER A 56 -4.122 4.048 6.419 1.00 0.00 H new ATOM 0 HA SER A 56 -6.191 2.970 8.034 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.303 5.116 7.482 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.678 5.319 8.106 1.00 0.00 H new ATOM 0 HG SER A 56 -4.926 5.813 6.083 1.00 0.00 H new ATOM 886 N ALA A 57 -6.631 2.864 4.775 1.00 0.00 N ATOM 887 CA ALA A 57 -7.464 2.208 3.755 1.00 0.00 C ATOM 888 C ALA A 57 -7.431 0.697 3.953 1.00 0.00 C ATOM 889 O ALA A 57 -8.451 -0.002 3.830 1.00 0.00 O ATOM 890 CB ALA A 57 -6.992 2.580 2.356 1.00 0.00 C ATOM 0 H ALA A 57 -5.813 3.351 4.409 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.492 2.553 3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.621 2.085 1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.059 3.660 2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.958 2.262 2.224 1.00 0.00 H new ATOM 896 N ALA A 58 -6.249 0.211 4.277 1.00 0.00 N ATOM 897 CA ALA A 58 -6.037 -1.189 4.562 1.00 0.00 C ATOM 898 C ALA A 58 -6.880 -1.584 5.738 1.00 0.00 C ATOM 899 O ALA A 58 -7.531 -2.600 5.724 1.00 0.00 O ATOM 900 CB ALA A 58 -4.571 -1.445 4.872 1.00 0.00 C ATOM 0 H ALA A 58 -5.406 0.781 4.350 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.318 -1.781 3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.424 -2.504 5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.962 -1.160 4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.274 -0.856 5.739 1.00 0.00 H new ATOM 906 N TYR A 59 -6.889 -0.730 6.737 1.00 0.00 N ATOM 907 CA TYR A 59 -7.680 -0.928 7.931 1.00 0.00 C ATOM 908 C TYR A 59 -9.158 -0.952 7.583 1.00 0.00 C ATOM 909 O TYR A 59 -9.921 -1.714 8.139 1.00 0.00 O ATOM 910 CB TYR A 59 -7.386 0.186 8.928 1.00 0.00 C ATOM 911 CG TYR A 59 -8.037 0.020 10.278 1.00 0.00 C ATOM 912 CD1 TYR A 59 -7.494 -0.836 11.217 1.00 0.00 C ATOM 913 CD2 TYR A 59 -9.175 0.732 10.621 1.00 0.00 C ATOM 914 CE1 TYR A 59 -8.061 -0.984 12.458 1.00 0.00 C ATOM 915 CE2 TYR A 59 -9.755 0.589 11.866 1.00 0.00 C ATOM 916 CZ TYR A 59 -9.192 -0.272 12.781 1.00 0.00 C ATOM 917 OH TYR A 59 -9.762 -0.421 14.022 1.00 0.00 O ATOM 0 H TYR A 59 -6.342 0.131 6.743 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.418 -1.886 8.381 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.307 0.253 9.067 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.712 1.133 8.498 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.606 -1.399 10.970 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.615 1.409 9.904 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.620 -1.657 13.178 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.643 1.148 12.120 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.553 0.153 14.090 1.00 0.00 H new ATOM 927 N GLU A 60 -9.541 -0.120 6.641 1.00 0.00 N ATOM 928 CA GLU A 60 -10.930 -0.002 6.242 1.00 0.00 C ATOM 929 C GLU A 60 -11.481 -1.332 5.748 1.00 0.00 C ATOM 930 O GLU A 60 -12.608 -1.693 6.066 1.00 0.00 O ATOM 931 CB GLU A 60 -11.077 1.048 5.144 1.00 0.00 C ATOM 932 CG GLU A 60 -10.835 2.460 5.620 1.00 0.00 C ATOM 933 CD GLU A 60 -11.832 2.892 6.680 1.00 0.00 C ATOM 934 OE1 GLU A 60 -13.019 3.090 6.340 1.00 0.00 O ATOM 935 OE2 GLU A 60 -11.443 3.022 7.855 1.00 0.00 O ATOM 0 H GLU A 60 -8.904 0.492 6.131 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.500 0.303 7.119 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.378 0.820 4.339 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.080 0.983 4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.825 2.537 6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.893 3.142 4.771 1.00 0.00 H new ATOM 942 N ILE A 61 -10.695 -2.056 4.973 1.00 0.00 N ATOM 943 CA ILE A 61 -11.148 -3.339 4.475 1.00 0.00 C ATOM 944 C ILE A 61 -10.727 -4.482 5.382 1.00 0.00 C ATOM 945 O ILE A 61 -11.529 -5.319 5.754 1.00 0.00 O ATOM 946 CB ILE A 61 -10.689 -3.595 3.021 1.00 0.00 C ATOM 947 CG1 ILE A 61 -9.180 -3.368 2.871 1.00 0.00 C ATOM 948 CG2 ILE A 61 -11.471 -2.716 2.052 1.00 0.00 C ATOM 949 CD1 ILE A 61 -8.642 -3.731 1.509 1.00 0.00 C ATOM 0 H ILE A 61 -9.757 -1.784 4.679 1.00 0.00 H new ATOM 0 HA ILE A 61 -12.237 -3.299 4.474 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.893 -4.638 2.779 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.958 -2.320 3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.657 -3.955 3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.135 -2.909 1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.534 -2.942 2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.304 -1.667 2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.569 -3.543 1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.831 -4.786 1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.137 -3.126 0.749 1.00 0.00 H new ATOM 961 N LEU A 62 -9.469 -4.499 5.731 1.00 0.00 N ATOM 962 CA LEU A 62 -8.895 -5.559 6.532 1.00 0.00 C ATOM 963 C LEU A 62 -9.471 -5.640 7.955 1.00 0.00 C ATOM 964 O LEU A 62 -9.718 -6.732 8.452 1.00 0.00 O ATOM 965 CB LEU A 62 -7.389 -5.392 6.565 1.00 0.00 C ATOM 966 CG LEU A 62 -6.694 -5.514 5.204 1.00 0.00 C ATOM 967 CD1 LEU A 62 -5.199 -5.327 5.342 1.00 0.00 C ATOM 968 CD2 LEU A 62 -7.010 -6.839 4.539 1.00 0.00 C ATOM 0 H LEU A 62 -8.803 -3.773 5.467 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.161 -6.505 6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.156 -4.415 6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.970 -6.140 7.238 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.080 -4.720 4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.729 -5.418 4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.992 -4.339 5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.797 -6.089 6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.502 -6.893 3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.670 -7.656 5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.086 -6.922 4.386 1.00 0.00 H new ATOM 980 N SER A 63 -9.702 -4.492 8.600 1.00 0.00 N ATOM 981 CA SER A 63 -10.245 -4.484 9.974 1.00 0.00 C ATOM 982 C SER A 63 -11.698 -4.953 9.992 1.00 0.00 C ATOM 983 O SER A 63 -12.305 -5.106 11.052 1.00 0.00 O ATOM 984 CB SER A 63 -10.122 -3.097 10.596 1.00 0.00 C ATOM 985 OG SER A 63 -10.412 -3.120 11.982 1.00 0.00 O ATOM 0 H SER A 63 -9.527 -3.568 8.206 1.00 0.00 H new ATOM 0 HA SER A 63 -9.657 -5.181 10.570 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.112 -2.716 10.441 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.802 -2.410 10.093 1.00 0.00 H new ATOM 0 HG SER A 63 -9.969 -2.364 12.421 1.00 0.00 H new ATOM 991 N ASP A 64 -12.247 -5.161 8.816 1.00 0.00 N ATOM 992 CA ASP A 64 -13.578 -5.690 8.673 1.00 0.00 C ATOM 993 C ASP A 64 -13.474 -7.044 8.029 1.00 0.00 C ATOM 994 O ASP A 64 -13.257 -7.143 6.854 1.00 0.00 O ATOM 995 CB ASP A 64 -14.489 -4.765 7.847 1.00 0.00 C ATOM 996 CG ASP A 64 -14.939 -3.529 8.599 1.00 0.00 C ATOM 997 OD1 ASP A 64 -14.372 -2.440 8.373 1.00 0.00 O ATOM 998 OD2 ASP A 64 -15.895 -3.635 9.398 1.00 0.00 O ATOM 0 H ASP A 64 -11.778 -4.966 7.931 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.036 -5.767 9.659 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.960 -4.459 6.945 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.367 -5.325 7.527 1.00 0.00 H new ATOM 1003 N PRO A 65 -13.626 -8.102 8.810 1.00 0.00 N ATOM 1004 CA PRO A 65 -13.450 -9.493 8.351 1.00 0.00 C ATOM 1005 C PRO A 65 -14.251 -9.823 7.105 1.00 0.00 C ATOM 1006 O PRO A 65 -13.845 -10.662 6.299 1.00 0.00 O ATOM 1007 CB PRO A 65 -13.965 -10.305 9.527 1.00 0.00 C ATOM 1008 CG PRO A 65 -13.711 -9.436 10.697 1.00 0.00 C ATOM 1009 CD PRO A 65 -13.961 -8.037 10.229 1.00 0.00 C ATOM 0 HA PRO A 65 -12.415 -9.693 8.074 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -15.026 -10.533 9.421 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.442 -11.257 9.615 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.370 -9.694 11.526 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.688 -9.551 11.055 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.997 -7.738 10.386 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.338 -7.317 10.759 1.00 0.00 H new ATOM 1017 N GLU A 66 -15.367 -9.159 6.930 1.00 0.00 N ATOM 1018 CA GLU A 66 -16.213 -9.432 5.797 1.00 0.00 C ATOM 1019 C GLU A 66 -15.662 -8.735 4.583 1.00 0.00 C ATOM 1020 O GLU A 66 -15.795 -9.211 3.465 1.00 0.00 O ATOM 1021 CB GLU A 66 -17.647 -9.008 6.078 1.00 0.00 C ATOM 1022 CG GLU A 66 -18.233 -9.694 7.301 1.00 0.00 C ATOM 1023 CD GLU A 66 -18.087 -11.196 7.253 1.00 0.00 C ATOM 1024 OE1 GLU A 66 -18.692 -11.829 6.372 1.00 0.00 O ATOM 1025 OE2 GLU A 66 -17.342 -11.748 8.094 1.00 0.00 O ATOM 0 H GLU A 66 -15.709 -8.429 7.555 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.226 -10.505 5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.681 -7.928 6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.265 -9.234 5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.741 -9.314 8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -19.289 -9.438 7.385 1.00 0.00 H new ATOM 1032 N LYS A 67 -14.985 -7.635 4.827 1.00 0.00 N ATOM 1033 CA LYS A 67 -14.374 -6.850 3.797 1.00 0.00 C ATOM 1034 C LYS A 67 -13.005 -7.412 3.499 1.00 0.00 C ATOM 1035 O LYS A 67 -12.476 -7.261 2.409 1.00 0.00 O ATOM 1036 CB LYS A 67 -14.265 -5.414 4.279 1.00 0.00 C ATOM 1037 CG LYS A 67 -15.602 -4.754 4.561 1.00 0.00 C ATOM 1038 CD LYS A 67 -16.460 -4.678 3.312 1.00 0.00 C ATOM 1039 CE LYS A 67 -17.781 -3.995 3.598 1.00 0.00 C ATOM 1040 NZ LYS A 67 -18.648 -3.947 2.399 1.00 0.00 N ATOM 0 H LYS A 67 -14.846 -7.261 5.766 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.973 -6.877 2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.662 -5.391 5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.734 -4.829 3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.130 -5.314 5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.438 -3.750 4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.926 -4.133 2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.642 -5.683 2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.298 -4.524 4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.596 -2.981 3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.542 -3.472 2.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.166 -3.420 1.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.846 -4.915 2.075 1.00 0.00 H new ATOM 1054 N ARG A 68 -12.449 -8.067 4.493 1.00 0.00 N ATOM 1055 CA ARG A 68 -11.177 -8.717 4.396 1.00 0.00 C ATOM 1056 C ARG A 68 -11.354 -9.931 3.513 1.00 0.00 C ATOM 1057 O ARG A 68 -10.498 -10.263 2.708 1.00 0.00 O ATOM 1058 CB ARG A 68 -10.725 -9.137 5.799 1.00 0.00 C ATOM 1059 CG ARG A 68 -9.218 -9.123 6.014 1.00 0.00 C ATOM 1060 CD ARG A 68 -8.655 -10.511 6.295 1.00 0.00 C ATOM 1061 NE ARG A 68 -8.443 -11.296 5.076 1.00 0.00 N ATOM 1062 CZ ARG A 68 -8.036 -12.573 5.069 1.00 0.00 C ATOM 1063 NH1 ARG A 68 -7.846 -13.221 6.214 1.00 0.00 N ATOM 1064 NH2 ARG A 68 -7.815 -13.196 3.918 1.00 0.00 N ATOM 0 H ARG A 68 -12.885 -8.160 5.410 1.00 0.00 H new ATOM 0 HA ARG A 68 -10.422 -8.055 3.972 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.188 -8.473 6.529 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -11.097 -10.141 6.000 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.732 -8.710 5.130 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.979 -8.462 6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.709 -10.413 6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.338 -11.048 6.953 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.616 -10.843 4.178 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.010 -12.746 7.102 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.536 -14.193 6.205 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.955 -12.703 3.036 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.505 -14.168 3.915 1.00 0.00 H new ATOM 1078 N ASP A 69 -12.500 -10.592 3.695 1.00 0.00 N ATOM 1079 CA ASP A 69 -12.892 -11.738 2.886 1.00 0.00 C ATOM 1080 C ASP A 69 -13.138 -11.290 1.468 1.00 0.00 C ATOM 1081 O ASP A 69 -12.737 -11.943 0.514 1.00 0.00 O ATOM 1082 CB ASP A 69 -14.147 -12.394 3.463 1.00 0.00 C ATOM 1083 CG ASP A 69 -14.617 -13.582 2.651 1.00 0.00 C ATOM 1084 OD1 ASP A 69 -13.873 -14.581 2.561 1.00 0.00 O ATOM 1085 OD2 ASP A 69 -15.744 -13.527 2.118 1.00 0.00 O ATOM 0 H ASP A 69 -13.182 -10.343 4.412 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.088 -12.474 2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.946 -12.716 4.485 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.947 -11.655 3.513 1.00 0.00 H new ATOM 1090 N ILE A 70 -13.802 -10.158 1.346 1.00 0.00 N ATOM 1091 CA ILE A 70 -14.057 -9.541 0.063 1.00 0.00 C ATOM 1092 C ILE A 70 -12.737 -9.199 -0.633 1.00 0.00 C ATOM 1093 O ILE A 70 -12.535 -9.531 -1.799 1.00 0.00 O ATOM 1094 CB ILE A 70 -14.913 -8.267 0.250 1.00 0.00 C ATOM 1095 CG1 ILE A 70 -16.356 -8.626 0.628 1.00 0.00 C ATOM 1096 CG2 ILE A 70 -14.876 -7.362 -0.980 1.00 0.00 C ATOM 1097 CD1 ILE A 70 -17.083 -9.450 -0.416 1.00 0.00 C ATOM 0 H ILE A 70 -14.181 -9.639 2.138 1.00 0.00 H new ATOM 0 HA ILE A 70 -14.606 -10.244 -0.564 1.00 0.00 H new ATOM 0 HB ILE A 70 -14.474 -7.703 1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -16.347 -9.177 1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -16.914 -7.706 0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -15.492 -6.480 -0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -13.849 -7.054 -1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -15.261 -7.905 -1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -18.096 -9.661 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -17.126 -8.894 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.551 -10.388 -0.575 1.00 0.00 H new ATOM 1109 N TYR A 71 -11.834 -8.572 0.103 1.00 0.00 N ATOM 1110 CA TYR A 71 -10.506 -8.243 -0.419 1.00 0.00 C ATOM 1111 C TYR A 71 -9.766 -9.512 -0.818 1.00 0.00 C ATOM 1112 O TYR A 71 -9.112 -9.562 -1.846 1.00 0.00 O ATOM 1113 CB TYR A 71 -9.703 -7.426 0.605 1.00 0.00 C ATOM 1114 CG TYR A 71 -8.302 -7.052 0.151 1.00 0.00 C ATOM 1115 CD1 TYR A 71 -8.097 -6.277 -0.987 1.00 0.00 C ATOM 1116 CD2 TYR A 71 -7.188 -7.456 0.874 1.00 0.00 C ATOM 1117 CE1 TYR A 71 -6.822 -5.923 -1.390 1.00 0.00 C ATOM 1118 CE2 TYR A 71 -5.911 -7.105 0.477 1.00 0.00 C ATOM 1119 CZ TYR A 71 -5.732 -6.341 -0.654 1.00 0.00 C ATOM 1120 OH TYR A 71 -4.455 -5.985 -1.047 1.00 0.00 O ATOM 0 H TYR A 71 -11.991 -8.278 1.067 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.625 -7.626 -1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -10.253 -6.513 0.835 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.631 -7.997 1.531 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.948 -5.947 -1.565 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.321 -8.055 1.763 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.680 -5.322 -2.276 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.057 -7.429 1.052 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.483 -5.120 -1.507 1.00 0.00 H new