USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 596 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: B 40 THR OG1 : rot -104:sc= 0.0774 USER MOD Set 1.2: B 42 SER OG : rot 180:sc= 0.0776 USER MOD Single : A 15 THR OG1 : rot 28:sc= 1.21 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 89:sc= 1.23 USER MOD Single : A 32 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00727) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -40:sc= 0.117 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -163:sc= 1.21 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0.644 K(o=0.64,f=0) USER MOD Single : B 15 THR OG1 : rot 13:sc= 1.26 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 123:sc= 1.25 USER MOD Single : B 29 THR OG1 : rot 70:sc= 1.09 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ -106:sc= 0.531 (180deg=0.00106) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 44 TYR OH : rot -6:sc= 1.22 USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 51 ASN : amide:sc= 0.536 K(o=0.54,f=0) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 15 13.845 0.299 -3.651 1.00 0.00 N ATOM 235 CA THR A 15 12.490 0.543 -3.208 1.00 0.00 C ATOM 236 C THR A 15 11.601 -0.550 -3.832 1.00 0.00 C ATOM 237 O THR A 15 12.062 -1.490 -4.485 1.00 0.00 O ATOM 238 CB THR A 15 12.084 1.999 -3.544 1.00 0.00 C ATOM 239 OG1 THR A 15 10.962 2.458 -2.803 1.00 0.00 O ATOM 240 CG2 THR A 15 11.815 2.209 -5.038 1.00 0.00 C ATOM 0 HA THR A 15 12.376 0.470 -2.126 1.00 0.00 H new ATOM 0 HB THR A 15 12.951 2.591 -3.252 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.920 1.984 -1.946 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.535 3.247 -5.215 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.715 1.974 -5.606 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.004 1.555 -5.357 1.00 0.00 H new ATOM 248 N VAL A 16 10.301 -0.430 -3.623 1.00 0.00 N ATOM 249 CA VAL A 16 9.277 -1.337 -4.104 1.00 0.00 C ATOM 250 C VAL A 16 8.208 -0.462 -4.744 1.00 0.00 C ATOM 251 O VAL A 16 8.120 0.717 -4.401 1.00 0.00 O ATOM 252 CB VAL A 16 8.721 -2.110 -2.893 1.00 0.00 C ATOM 253 CG1 VAL A 16 7.829 -3.285 -3.290 1.00 0.00 C ATOM 254 CG2 VAL A 16 9.820 -2.688 -2.003 1.00 0.00 C ATOM 0 H VAL A 16 9.913 0.344 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 16 9.648 -2.062 -4.828 1.00 0.00 H new ATOM 0 HB VAL A 16 8.144 -1.359 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.469 -3.788 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.979 -2.918 -3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.401 -3.988 -3.895 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.368 -3.221 -1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.434 -3.377 -2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.443 -1.879 -1.623 1.00 0.00 H new ATOM 264 N VAL A 17 7.389 -1.003 -5.639 1.00 0.00 N ATOM 265 CA VAL A 17 6.324 -0.264 -6.289 1.00 0.00 C ATOM 266 C VAL A 17 5.206 -1.262 -6.581 1.00 0.00 C ATOM 267 O VAL A 17 5.418 -2.243 -7.294 1.00 0.00 O ATOM 268 CB VAL A 17 6.904 0.492 -7.500 1.00 0.00 C ATOM 269 CG1 VAL A 17 7.438 -0.404 -8.622 1.00 0.00 C ATOM 270 CG2 VAL A 17 5.904 1.503 -8.064 1.00 0.00 C ATOM 0 H VAL A 17 7.450 -1.978 -5.934 1.00 0.00 H new ATOM 0 HA VAL A 17 5.883 0.520 -5.673 1.00 0.00 H new ATOM 0 HB VAL A 17 7.770 1.019 -7.099 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.825 0.217 -9.430 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.238 -1.035 -8.234 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.632 -1.032 -9.001 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.348 2.017 -8.917 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.001 0.982 -8.384 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.649 2.231 -7.294 1.00 0.00 H new ATOM 280 N ARG A 18 4.030 -1.072 -5.983 1.00 0.00 N ATOM 281 CA ARG A 18 2.889 -1.969 -6.188 1.00 0.00 C ATOM 282 C ARG A 18 1.589 -1.220 -5.966 1.00 0.00 C ATOM 283 O ARG A 18 1.577 -0.177 -5.307 1.00 0.00 O ATOM 284 CB ARG A 18 2.990 -3.151 -5.204 1.00 0.00 C ATOM 285 CG ARG A 18 2.254 -4.418 -5.660 1.00 0.00 C ATOM 286 CD ARG A 18 2.290 -5.543 -4.624 1.00 0.00 C ATOM 287 NE ARG A 18 1.931 -6.831 -5.246 1.00 0.00 N ATOM 288 CZ ARG A 18 1.245 -7.840 -4.698 1.00 0.00 C ATOM 289 NH1 ARG A 18 0.808 -7.783 -3.447 1.00 0.00 N ATOM 290 NH2 ARG A 18 0.980 -8.924 -5.412 1.00 0.00 N ATOM 0 H ARG A 18 3.840 -0.298 -5.347 1.00 0.00 H new ATOM 0 HA ARG A 18 2.904 -2.344 -7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.042 -3.392 -5.050 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.590 -2.840 -4.239 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.216 -4.168 -5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.699 -4.774 -6.589 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.286 -5.609 -4.185 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.598 -5.319 -3.812 1.00 0.00 H new ATOM 0 HE ARG A 18 2.243 -6.969 -6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.993 -6.956 -2.879 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.287 -8.566 -3.053 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.299 -8.989 -6.379 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.457 -9.694 -4.995 1.00 0.00 H new ATOM 304 N THR A 19 0.497 -1.769 -6.477 1.00 0.00 N ATOM 305 CA THR A 19 -0.837 -1.208 -6.350 1.00 0.00 C ATOM 306 C THR A 19 -1.550 -2.104 -5.334 1.00 0.00 C ATOM 307 O THR A 19 -1.571 -3.331 -5.512 1.00 0.00 O ATOM 308 CB THR A 19 -1.529 -1.145 -7.727 1.00 0.00 C ATOM 309 OG1 THR A 19 -0.607 -1.112 -8.802 1.00 0.00 O ATOM 310 CG2 THR A 19 -2.368 0.119 -7.877 1.00 0.00 C ATOM 0 H THR A 19 0.517 -2.641 -7.006 1.00 0.00 H new ATOM 0 HA THR A 19 -0.841 -0.176 -5.999 1.00 0.00 H new ATOM 0 HB THR A 19 -2.139 -2.047 -7.766 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.095 -1.074 -9.651 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.840 0.128 -8.860 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.137 0.139 -7.105 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.728 0.995 -7.774 1.00 0.00 H new ATOM 318 N LEU A 20 -2.149 -1.542 -4.281 1.00 0.00 N ATOM 319 CA LEU A 20 -2.831 -2.287 -3.230 1.00 0.00 C ATOM 320 C LEU A 20 -4.238 -1.722 -3.031 1.00 0.00 C ATOM 321 O LEU A 20 -4.405 -0.516 -2.851 1.00 0.00 O ATOM 322 CB LEU A 20 -1.940 -2.200 -1.981 1.00 0.00 C ATOM 323 CG LEU A 20 -1.969 -3.478 -1.131 1.00 0.00 C ATOM 324 CD1 LEU A 20 -0.567 -3.707 -0.565 1.00 0.00 C ATOM 325 CD2 LEU A 20 -2.998 -3.392 -0.014 1.00 0.00 C ATOM 0 H LEU A 20 -2.171 -0.533 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.974 -3.338 -3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.914 -1.998 -2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.262 -1.357 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.264 -4.319 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.564 -4.611 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.143 -3.819 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.279 -2.855 0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.986 -4.316 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.757 -2.553 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.989 -3.245 -0.443 1.00 0.00 H new ATOM 337 N ARG A 21 -5.263 -2.554 -3.220 1.00 0.00 N ATOM 338 CA ARG A 21 -6.677 -2.187 -3.079 1.00 0.00 C ATOM 339 C ARG A 21 -7.113 -2.273 -1.618 1.00 0.00 C ATOM 340 O ARG A 21 -6.530 -3.046 -0.855 1.00 0.00 O ATOM 341 CB ARG A 21 -7.575 -3.167 -3.865 1.00 0.00 C ATOM 342 CG ARG A 21 -7.386 -3.244 -5.385 1.00 0.00 C ATOM 343 CD ARG A 21 -8.121 -2.161 -6.187 1.00 0.00 C ATOM 344 NE ARG A 21 -8.276 -2.561 -7.598 1.00 0.00 N ATOM 345 CZ ARG A 21 -9.318 -3.205 -8.138 1.00 0.00 C ATOM 346 NH1 ARG A 21 -10.415 -3.472 -7.446 1.00 0.00 N ATOM 347 NH2 ARG A 21 -9.275 -3.611 -9.399 1.00 0.00 N ATOM 0 H ARG A 21 -5.131 -3.531 -3.483 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.781 -1.171 -3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.419 -4.166 -3.457 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.614 -2.901 -3.669 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.321 -3.179 -5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.724 -4.222 -5.729 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.102 -1.980 -5.747 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.568 -1.223 -6.130 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.510 -2.322 -8.228 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.485 -3.185 -6.470 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.190 -3.965 -7.889 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.445 -3.433 -9.964 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.072 -4.101 -9.804 1.00 0.00 H new ATOM 361 N PHE A 22 -8.172 -1.547 -1.261 1.00 0.00 N ATOM 362 CA PHE A 22 -8.764 -1.514 0.077 1.00 0.00 C ATOM 363 C PHE A 22 -10.276 -1.369 -0.071 1.00 0.00 C ATOM 364 O PHE A 22 -10.732 -0.881 -1.106 1.00 0.00 O ATOM 365 CB PHE A 22 -8.200 -0.341 0.892 1.00 0.00 C ATOM 366 CG PHE A 22 -6.732 -0.477 1.256 1.00 0.00 C ATOM 367 CD1 PHE A 22 -5.738 -0.174 0.307 1.00 0.00 C ATOM 368 CD2 PHE A 22 -6.354 -0.898 2.544 1.00 0.00 C ATOM 369 CE1 PHE A 22 -4.379 -0.284 0.636 1.00 0.00 C ATOM 370 CE2 PHE A 22 -4.998 -0.969 2.895 1.00 0.00 C ATOM 371 CZ PHE A 22 -4.010 -0.660 1.942 1.00 0.00 C ATOM 0 H PHE A 22 -8.660 -0.942 -1.921 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.523 -2.436 0.607 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.337 0.579 0.324 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.781 -0.239 1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.024 0.146 -0.684 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.111 -1.168 3.265 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.621 -0.082 -0.107 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.713 -1.260 3.895 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.966 -0.711 2.213 1.00 0.00 H new ATOM 381 N SER A 23 -11.051 -1.805 0.920 1.00 0.00 N ATOM 382 CA SER A 23 -12.513 -1.711 0.918 1.00 0.00 C ATOM 383 C SER A 23 -12.923 -0.276 1.319 1.00 0.00 C ATOM 384 O SER A 23 -12.056 0.484 1.750 1.00 0.00 O ATOM 385 CB SER A 23 -13.029 -2.821 1.848 1.00 0.00 C ATOM 386 OG SER A 23 -12.833 -4.068 1.208 1.00 0.00 O ATOM 0 H SER A 23 -10.676 -2.241 1.762 1.00 0.00 H new ATOM 0 HA SER A 23 -12.962 -1.872 -0.062 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.498 -2.796 2.800 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.086 -2.670 2.069 1.00 0.00 H new ATOM 0 HG SER A 23 -13.156 -4.788 1.789 1.00 0.00 H new ATOM 392 N PRO A 24 -14.208 0.129 1.222 1.00 0.00 N ATOM 393 CA PRO A 24 -14.617 1.494 1.554 1.00 0.00 C ATOM 394 C PRO A 24 -14.410 1.809 3.027 1.00 0.00 C ATOM 395 O PRO A 24 -13.720 2.762 3.362 1.00 0.00 O ATOM 396 CB PRO A 24 -16.085 1.631 1.133 1.00 0.00 C ATOM 397 CG PRO A 24 -16.594 0.194 1.103 1.00 0.00 C ATOM 398 CD PRO A 24 -15.356 -0.635 0.758 1.00 0.00 C ATOM 0 HA PRO A 24 -14.000 2.218 1.022 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.648 2.240 1.840 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.178 2.108 0.157 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.015 -0.100 2.065 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.380 0.065 0.359 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.395 -1.611 1.242 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.295 -0.814 -0.315 1.00 0.00 H new ATOM 406 N VAL A 25 -14.977 0.985 3.906 1.00 0.00 N ATOM 407 CA VAL A 25 -14.874 1.158 5.345 1.00 0.00 C ATOM 408 C VAL A 25 -13.401 1.138 5.772 1.00 0.00 C ATOM 409 O VAL A 25 -12.996 1.925 6.622 1.00 0.00 O ATOM 410 CB VAL A 25 -15.699 0.055 6.039 1.00 0.00 C ATOM 411 CG1 VAL A 25 -15.750 0.268 7.560 1.00 0.00 C ATOM 412 CG2 VAL A 25 -17.146 -0.009 5.524 1.00 0.00 C ATOM 0 H VAL A 25 -15.526 0.171 3.631 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.279 2.125 5.644 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.192 -0.881 5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.339 -0.526 8.019 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.738 0.249 7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.210 1.232 7.777 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.683 -0.802 6.045 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.640 0.945 5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.142 -0.216 4.454 1.00 0.00 H new ATOM 422 N GLU A 26 -12.600 0.231 5.207 1.00 0.00 N ATOM 423 CA GLU A 26 -11.185 0.101 5.531 1.00 0.00 C ATOM 424 C GLU A 26 -10.421 1.361 5.141 1.00 0.00 C ATOM 425 O GLU A 26 -9.673 1.897 5.953 1.00 0.00 O ATOM 426 CB GLU A 26 -10.609 -1.135 4.832 1.00 0.00 C ATOM 427 CG GLU A 26 -11.108 -2.420 5.505 1.00 0.00 C ATOM 428 CD GLU A 26 -10.500 -3.661 4.861 1.00 0.00 C ATOM 429 OE1 GLU A 26 -9.259 -3.836 4.882 1.00 0.00 O ATOM 430 OE2 GLU A 26 -11.250 -4.458 4.247 1.00 0.00 O ATOM 0 H GLU A 26 -12.922 -0.437 4.507 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.077 -0.025 6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.899 -1.133 3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.520 -1.102 4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.856 -2.398 6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.195 -2.469 5.437 1.00 0.00 H new ATOM 437 N ASP A 27 -10.605 1.820 3.905 1.00 0.00 N ATOM 438 CA ASP A 27 -9.965 3.018 3.381 1.00 0.00 C ATOM 439 C ASP A 27 -10.349 4.225 4.215 1.00 0.00 C ATOM 440 O ASP A 27 -9.489 5.009 4.586 1.00 0.00 O ATOM 441 CB ASP A 27 -10.439 3.251 1.959 1.00 0.00 C ATOM 442 CG ASP A 27 -10.101 4.669 1.500 1.00 0.00 C ATOM 443 OD1 ASP A 27 -8.904 5.004 1.348 1.00 0.00 O ATOM 444 OD2 ASP A 27 -11.046 5.436 1.203 1.00 0.00 O ATOM 0 H ASP A 27 -11.215 1.359 3.230 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.884 2.882 3.411 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.972 2.527 1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.516 3.091 1.899 1.00 0.00 H new ATOM 449 N GLU A 28 -11.640 4.369 4.502 1.00 0.00 N ATOM 450 CA GLU A 28 -12.193 5.455 5.285 1.00 0.00 C ATOM 451 C GLU A 28 -11.534 5.467 6.665 1.00 0.00 C ATOM 452 O GLU A 28 -11.123 6.528 7.124 1.00 0.00 O ATOM 453 CB GLU A 28 -13.713 5.270 5.304 1.00 0.00 C ATOM 454 CG GLU A 28 -14.503 6.451 5.866 1.00 0.00 C ATOM 455 CD GLU A 28 -16.007 6.258 5.631 1.00 0.00 C ATOM 456 OE1 GLU A 28 -16.421 5.753 4.556 1.00 0.00 O ATOM 457 OE2 GLU A 28 -16.819 6.641 6.488 1.00 0.00 O ATOM 0 H GLU A 28 -12.348 3.708 4.182 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.988 6.437 4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.053 5.077 4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.948 4.383 5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.307 6.551 6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.171 7.375 5.393 1.00 0.00 H new ATOM 464 N THR A 29 -11.392 4.299 7.297 1.00 0.00 N ATOM 465 CA THR A 29 -10.762 4.160 8.604 1.00 0.00 C ATOM 466 C THR A 29 -9.309 4.656 8.509 1.00 0.00 C ATOM 467 O THR A 29 -8.890 5.510 9.292 1.00 0.00 O ATOM 468 CB THR A 29 -10.825 2.687 9.053 1.00 0.00 C ATOM 469 OG1 THR A 29 -12.146 2.181 9.087 1.00 0.00 O ATOM 470 CG2 THR A 29 -10.248 2.498 10.450 1.00 0.00 C ATOM 0 H THR A 29 -11.717 3.414 6.907 1.00 0.00 H new ATOM 0 HA THR A 29 -11.287 4.759 9.347 1.00 0.00 H new ATOM 0 HB THR A 29 -10.238 2.146 8.311 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.378 1.813 8.209 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.311 1.447 10.730 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.205 2.814 10.459 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.815 3.098 11.162 1.00 0.00 H new ATOM 478 N ILE A 30 -8.541 4.144 7.539 1.00 0.00 N ATOM 479 CA ILE A 30 -7.145 4.519 7.338 1.00 0.00 C ATOM 480 C ILE A 30 -7.046 6.024 7.078 1.00 0.00 C ATOM 481 O ILE A 30 -6.199 6.696 7.660 1.00 0.00 O ATOM 482 CB ILE A 30 -6.506 3.650 6.225 1.00 0.00 C ATOM 483 CG1 ILE A 30 -6.369 2.197 6.742 1.00 0.00 C ATOM 484 CG2 ILE A 30 -5.129 4.210 5.796 1.00 0.00 C ATOM 485 CD1 ILE A 30 -6.137 1.155 5.643 1.00 0.00 C ATOM 0 H ILE A 30 -8.878 3.453 6.869 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.568 4.320 8.241 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.149 3.668 5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.541 2.152 7.449 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.272 1.933 7.292 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.707 3.578 5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.251 5.225 5.417 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.458 4.222 6.655 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.052 0.165 6.092 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.976 1.167 4.947 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.217 1.390 5.107 1.00 0.00 H new ATOM 497 N ARG A 31 -7.899 6.569 6.211 1.00 0.00 N ATOM 498 CA ARG A 31 -7.917 7.982 5.857 1.00 0.00 C ATOM 499 C ARG A 31 -8.198 8.832 7.089 1.00 0.00 C ATOM 500 O ARG A 31 -7.566 9.882 7.232 1.00 0.00 O ATOM 501 CB ARG A 31 -8.941 8.201 4.731 1.00 0.00 C ATOM 502 CG ARG A 31 -8.823 9.569 4.043 1.00 0.00 C ATOM 503 CD ARG A 31 -9.832 9.615 2.892 1.00 0.00 C ATOM 504 NE ARG A 31 -9.778 10.869 2.126 1.00 0.00 N ATOM 505 CZ ARG A 31 -10.314 11.061 0.912 1.00 0.00 C ATOM 506 NH1 ARG A 31 -10.942 10.074 0.278 1.00 0.00 N ATOM 507 NH2 ARG A 31 -10.223 12.247 0.320 1.00 0.00 N ATOM 0 H ARG A 31 -8.612 6.025 5.726 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.942 8.296 5.485 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.818 7.417 3.984 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.946 8.096 5.141 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.021 10.371 4.755 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.811 9.719 3.667 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.645 8.778 2.220 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.837 9.484 3.293 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.293 11.658 2.553 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.021 9.156 0.715 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.345 10.236 -0.645 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.744 13.016 0.789 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.632 12.389 -0.604 1.00 0.00 H new ATOM 521 N LYS A 32 -9.119 8.412 7.960 1.00 0.00 N ATOM 522 CA LYS A 32 -9.460 9.139 9.177 1.00 0.00 C ATOM 523 C LYS A 32 -8.299 9.102 10.157 1.00 0.00 C ATOM 524 O LYS A 32 -7.884 10.160 10.620 1.00 0.00 O ATOM 525 CB LYS A 32 -10.733 8.572 9.841 1.00 0.00 C ATOM 526 CG LYS A 32 -11.995 9.366 9.480 1.00 0.00 C ATOM 527 CD LYS A 32 -12.488 9.158 8.041 1.00 0.00 C ATOM 528 CE LYS A 32 -13.537 10.197 7.633 1.00 0.00 C ATOM 529 NZ LYS A 32 -14.718 10.218 8.518 1.00 0.00 N ATOM 0 H LYS A 32 -9.651 7.551 7.836 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.661 10.173 8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.864 7.533 9.538 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.605 8.575 10.923 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.793 9.088 10.168 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.798 10.427 9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.641 9.212 7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.912 8.159 7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.077 11.185 7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.861 9.994 6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.410 10.906 8.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.150 9.272 8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.427 10.491 9.479 1.00 0.00 H new ATOM 543 N LYS A 33 -7.765 7.922 10.485 1.00 0.00 N ATOM 544 CA LYS A 33 -6.668 7.809 11.443 1.00 0.00 C ATOM 545 C LYS A 33 -5.441 8.562 10.961 1.00 0.00 C ATOM 546 O LYS A 33 -4.817 9.251 11.769 1.00 0.00 O ATOM 547 CB LYS A 33 -6.320 6.349 11.739 1.00 0.00 C ATOM 548 CG LYS A 33 -7.261 5.694 12.765 1.00 0.00 C ATOM 549 CD LYS A 33 -6.625 4.372 13.208 1.00 0.00 C ATOM 550 CE LYS A 33 -7.246 3.716 14.436 1.00 0.00 C ATOM 551 NZ LYS A 33 -6.672 2.368 14.646 1.00 0.00 N ATOM 0 H LYS A 33 -8.077 7.031 10.099 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.008 8.264 12.374 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.354 5.779 10.810 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.296 6.295 12.109 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.410 6.352 13.621 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.242 5.517 12.325 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.679 3.668 12.377 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.568 4.548 13.409 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.069 4.335 15.316 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.326 3.643 14.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.105 1.933 15.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.863 1.776 13.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.645 2.446 14.787 1.00 0.00 H new ATOM 565 N ALA A 34 -5.107 8.431 9.676 1.00 0.00 N ATOM 566 CA ALA A 34 -3.973 9.098 9.061 1.00 0.00 C ATOM 567 C ALA A 34 -4.102 10.606 9.257 1.00 0.00 C ATOM 568 O ALA A 34 -3.206 11.242 9.808 1.00 0.00 O ATOM 569 CB ALA A 34 -3.911 8.735 7.577 1.00 0.00 C ATOM 0 H ALA A 34 -5.632 7.845 9.026 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.046 8.770 9.532 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.060 9.236 7.115 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.799 7.656 7.471 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.830 9.054 7.086 1.00 0.00 H new ATOM 575 N GLU A 35 -5.245 11.157 8.845 1.00 0.00 N ATOM 576 CA GLU A 35 -5.518 12.584 8.929 1.00 0.00 C ATOM 577 C GLU A 35 -5.539 13.100 10.361 1.00 0.00 C ATOM 578 O GLU A 35 -5.001 14.171 10.635 1.00 0.00 O ATOM 579 CB GLU A 35 -6.843 12.873 8.234 1.00 0.00 C ATOM 580 CG GLU A 35 -6.990 14.362 7.940 1.00 0.00 C ATOM 581 CD GLU A 35 -8.245 14.643 7.126 1.00 0.00 C ATOM 582 OE1 GLU A 35 -8.438 13.977 6.081 1.00 0.00 O ATOM 583 OE2 GLU A 35 -9.056 15.503 7.541 1.00 0.00 O ATOM 0 H GLU A 35 -6.010 10.617 8.441 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.705 13.112 8.430 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.901 12.307 7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.668 12.539 8.863 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.029 14.918 8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.114 14.716 7.396 1.00 0.00 H new ATOM 590 N ASP A 36 -6.142 12.333 11.265 1.00 0.00 N ATOM 591 CA ASP A 36 -6.262 12.635 12.681 1.00 0.00 C ATOM 592 C ASP A 36 -4.862 12.689 13.287 1.00 0.00 C ATOM 593 O ASP A 36 -4.574 13.556 14.114 1.00 0.00 O ATOM 594 CB ASP A 36 -7.130 11.562 13.326 1.00 0.00 C ATOM 595 CG ASP A 36 -7.115 11.630 14.842 1.00 0.00 C ATOM 596 OD1 ASP A 36 -7.486 12.676 15.413 1.00 0.00 O ATOM 597 OD2 ASP A 36 -6.869 10.562 15.453 1.00 0.00 O ATOM 0 H ASP A 36 -6.578 11.445 11.015 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.736 13.602 12.851 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.155 11.668 12.972 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.783 10.579 13.007 1.00 0.00 H new ATOM 602 N SER A 37 -3.983 11.781 12.855 1.00 0.00 N ATOM 603 CA SER A 37 -2.600 11.723 13.293 1.00 0.00 C ATOM 604 C SER A 37 -1.770 12.788 12.555 1.00 0.00 C ATOM 605 O SER A 37 -0.610 13.019 12.906 1.00 0.00 O ATOM 606 CB SER A 37 -2.035 10.320 13.043 1.00 0.00 C ATOM 607 OG SER A 37 -0.812 10.153 13.739 1.00 0.00 O ATOM 0 H SER A 37 -4.224 11.056 12.179 1.00 0.00 H new ATOM 0 HA SER A 37 -2.549 11.930 14.362 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.753 9.568 13.369 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.878 10.169 11.975 1.00 0.00 H new ATOM 0 HG SER A 37 -0.282 10.974 13.670 1.00 0.00 H new ATOM 613 N GLY A 38 -2.348 13.426 11.537 1.00 0.00 N ATOM 614 CA GLY A 38 -1.736 14.443 10.718 1.00 0.00 C ATOM 615 C GLY A 38 -0.567 13.901 9.913 1.00 0.00 C ATOM 616 O GLY A 38 0.361 14.669 9.673 1.00 0.00 O ATOM 0 H GLY A 38 -3.308 13.228 11.256 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.481 14.859 10.040 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.391 15.260 11.352 1.00 0.00 H new ATOM 620 N LEU A 39 -0.536 12.607 9.577 1.00 0.00 N ATOM 621 CA LEU A 39 0.521 11.980 8.798 1.00 0.00 C ATOM 622 C LEU A 39 -0.192 11.478 7.556 1.00 0.00 C ATOM 623 O LEU A 39 -1.299 10.944 7.657 1.00 0.00 O ATOM 624 CB LEU A 39 1.199 10.795 9.527 1.00 0.00 C ATOM 625 CG LEU A 39 1.519 10.967 11.022 1.00 0.00 C ATOM 626 CD1 LEU A 39 2.258 9.738 11.542 1.00 0.00 C ATOM 627 CD2 LEU A 39 2.369 12.202 11.342 1.00 0.00 C ATOM 0 H LEU A 39 -1.270 11.954 9.851 1.00 0.00 H new ATOM 0 HA LEU A 39 1.326 12.687 8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.555 9.922 9.420 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.131 10.570 9.008 1.00 0.00 H new ATOM 0 HG LEU A 39 0.554 11.097 11.512 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.481 9.868 12.601 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.634 8.855 11.408 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.189 9.612 10.989 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.550 12.251 12.416 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.321 12.134 10.816 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.841 13.100 11.022 1.00 0.00 H new ATOM 639 N THR A 40 0.404 11.634 6.379 1.00 0.00 N ATOM 640 CA THR A 40 -0.226 11.150 5.160 1.00 0.00 C ATOM 641 C THR A 40 -0.514 9.651 5.309 1.00 0.00 C ATOM 642 O THR A 40 0.228 8.926 5.979 1.00 0.00 O ATOM 643 CB THR A 40 0.710 11.419 3.965 1.00 0.00 C ATOM 644 OG1 THR A 40 0.189 10.906 2.749 1.00 0.00 O ATOM 645 CG2 THR A 40 2.073 10.740 4.132 1.00 0.00 C ATOM 0 H THR A 40 1.309 12.085 6.245 1.00 0.00 H new ATOM 0 HA THR A 40 -1.168 11.670 4.983 1.00 0.00 H new ATOM 0 HB THR A 40 0.804 12.505 3.935 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.813 11.100 2.018 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.697 10.959 3.265 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.559 11.115 5.033 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.935 9.662 4.217 1.00 0.00 H new ATOM 653 N VAL A 41 -1.543 9.155 4.621 1.00 0.00 N ATOM 654 CA VAL A 41 -1.907 7.744 4.629 1.00 0.00 C ATOM 655 C VAL A 41 -0.669 6.904 4.288 1.00 0.00 C ATOM 656 O VAL A 41 -0.456 5.853 4.886 1.00 0.00 O ATOM 657 CB VAL A 41 -3.064 7.510 3.638 1.00 0.00 C ATOM 658 CG1 VAL A 41 -3.242 6.029 3.288 1.00 0.00 C ATOM 659 CG2 VAL A 41 -4.375 8.041 4.223 1.00 0.00 C ATOM 0 H VAL A 41 -2.151 9.730 4.038 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.254 7.439 5.616 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.809 8.047 2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.069 5.918 2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.327 5.650 2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.457 5.464 4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.185 7.870 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.594 7.522 5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.281 9.110 4.416 1.00 0.00 H new ATOM 669 N SER A 42 0.194 7.370 3.382 1.00 0.00 N ATOM 670 CA SER A 42 1.393 6.635 3.005 1.00 0.00 C ATOM 671 C SER A 42 2.360 6.431 4.187 1.00 0.00 C ATOM 672 O SER A 42 3.108 5.448 4.203 1.00 0.00 O ATOM 673 CB SER A 42 2.061 7.348 1.822 1.00 0.00 C ATOM 674 OG SER A 42 1.088 7.611 0.822 1.00 0.00 O ATOM 0 H SER A 42 0.079 8.259 2.896 1.00 0.00 H new ATOM 0 HA SER A 42 1.105 5.629 2.699 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.518 8.280 2.155 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.860 6.729 1.414 1.00 0.00 H new ATOM 0 HG SER A 42 1.512 8.068 0.066 1.00 0.00 H new ATOM 680 N ALA A 43 2.391 7.360 5.149 1.00 0.00 N ATOM 681 CA ALA A 43 3.219 7.277 6.342 1.00 0.00 C ATOM 682 C ALA A 43 2.476 6.391 7.322 1.00 0.00 C ATOM 683 O ALA A 43 3.082 5.506 7.912 1.00 0.00 O ATOM 684 CB ALA A 43 3.439 8.634 7.016 1.00 0.00 C ATOM 0 H ALA A 43 1.825 8.208 5.112 1.00 0.00 H new ATOM 0 HA ALA A 43 4.199 6.893 6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.064 8.504 7.899 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.932 9.311 6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.477 9.054 7.311 1.00 0.00 H new ATOM 690 N TYR A 44 1.172 6.624 7.507 1.00 0.00 N ATOM 691 CA TYR A 44 0.331 5.866 8.415 1.00 0.00 C ATOM 692 C TYR A 44 0.499 4.363 8.130 1.00 0.00 C ATOM 693 O TYR A 44 0.849 3.597 9.020 1.00 0.00 O ATOM 694 CB TYR A 44 -1.115 6.343 8.274 1.00 0.00 C ATOM 695 CG TYR A 44 -2.048 5.565 9.164 1.00 0.00 C ATOM 696 CD1 TYR A 44 -2.222 5.942 10.507 1.00 0.00 C ATOM 697 CD2 TYR A 44 -2.656 4.398 8.666 1.00 0.00 C ATOM 698 CE1 TYR A 44 -2.976 5.124 11.365 1.00 0.00 C ATOM 699 CE2 TYR A 44 -3.428 3.591 9.511 1.00 0.00 C ATOM 700 CZ TYR A 44 -3.562 3.938 10.872 1.00 0.00 C ATOM 701 OH TYR A 44 -4.273 3.141 11.703 1.00 0.00 O ATOM 0 H TYR A 44 0.669 7.363 7.015 1.00 0.00 H new ATOM 0 HA TYR A 44 0.626 6.029 9.452 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.174 7.403 8.522 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.432 6.241 7.236 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.779 6.855 10.877 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.527 4.124 7.629 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.107 5.402 12.400 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.917 2.709 9.124 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.374 2.254 11.298 1.00 0.00 H new ATOM 711 N ILE A 45 0.325 3.963 6.863 1.00 0.00 N ATOM 712 CA ILE A 45 0.446 2.594 6.369 1.00 0.00 C ATOM 713 C ILE A 45 1.788 1.989 6.772 1.00 0.00 C ATOM 714 O ILE A 45 1.825 1.008 7.512 1.00 0.00 O ATOM 715 CB ILE A 45 0.253 2.570 4.826 1.00 0.00 C ATOM 716 CG1 ILE A 45 -1.222 2.782 4.419 1.00 0.00 C ATOM 717 CG2 ILE A 45 0.820 1.305 4.143 1.00 0.00 C ATOM 718 CD1 ILE A 45 -2.161 1.604 4.698 1.00 0.00 C ATOM 0 H ILE A 45 0.084 4.622 6.122 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.335 1.983 6.822 1.00 0.00 H new ATOM 0 HB ILE A 45 0.840 3.413 4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.602 3.659 4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.257 3.007 3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.647 1.363 3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.891 1.237 4.335 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.323 0.421 4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.170 1.859 4.375 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.816 0.726 4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.166 1.388 5.766 1.00 0.00 H new ATOM 730 N ARG A 46 2.889 2.560 6.266 1.00 0.00 N ATOM 731 CA ARG A 46 4.226 2.052 6.544 1.00 0.00 C ATOM 732 C ARG A 46 4.479 1.953 8.038 1.00 0.00 C ATOM 733 O ARG A 46 4.906 0.908 8.500 1.00 0.00 O ATOM 734 CB ARG A 46 5.296 2.835 5.751 1.00 0.00 C ATOM 735 CG ARG A 46 5.951 4.050 6.446 1.00 0.00 C ATOM 736 CD ARG A 46 6.543 5.110 5.505 1.00 0.00 C ATOM 737 NE ARG A 46 7.231 4.541 4.337 1.00 0.00 N ATOM 738 CZ ARG A 46 6.718 4.419 3.107 1.00 0.00 C ATOM 739 NH1 ARG A 46 5.482 4.806 2.797 1.00 0.00 N ATOM 740 NH2 ARG A 46 7.462 3.891 2.160 1.00 0.00 N ATOM 0 H ARG A 46 2.872 3.379 5.659 1.00 0.00 H new ATOM 0 HA ARG A 46 4.302 1.027 6.181 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.087 2.138 5.475 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.840 3.183 4.824 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.206 4.529 7.081 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.743 3.688 7.102 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.743 5.766 5.161 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.245 5.729 6.064 1.00 0.00 H new ATOM 0 HE ARG A 46 8.185 4.209 4.477 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.882 5.216 3.512 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.136 4.692 1.844 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.412 3.583 2.370 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.089 3.789 1.216 1.00 0.00 H new ATOM 754 N ASN A 47 4.173 2.994 8.801 1.00 0.00 N ATOM 755 CA ASN A 47 4.390 3.026 10.229 1.00 0.00 C ATOM 756 C ASN A 47 3.650 1.908 10.955 1.00 0.00 C ATOM 757 O ASN A 47 4.273 1.186 11.733 1.00 0.00 O ATOM 758 CB ASN A 47 3.965 4.408 10.674 1.00 0.00 C ATOM 759 CG ASN A 47 4.346 4.675 12.101 1.00 0.00 C ATOM 760 OD1 ASN A 47 5.485 5.048 12.358 1.00 0.00 O ATOM 761 ND2 ASN A 47 3.403 4.530 13.001 1.00 0.00 N ATOM 0 H ASN A 47 3.760 3.851 8.432 1.00 0.00 H new ATOM 0 HA ASN A 47 5.436 2.846 10.478 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.426 5.156 10.029 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.886 4.511 10.560 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.598 4.732 13.982 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.474 4.215 12.720 1.00 0.00 H new ATOM 768 N ALA A 48 2.354 1.745 10.679 1.00 0.00 N ATOM 769 CA ALA A 48 1.529 0.710 11.287 1.00 0.00 C ATOM 770 C ALA A 48 2.001 -0.691 10.870 1.00 0.00 C ATOM 771 O ALA A 48 1.875 -1.642 11.638 1.00 0.00 O ATOM 772 CB ALA A 48 0.068 0.926 10.867 1.00 0.00 C ATOM 0 H ALA A 48 1.847 2.336 10.020 1.00 0.00 H new ATOM 0 HA ALA A 48 1.617 0.779 12.371 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.558 0.156 11.317 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.266 1.907 11.204 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.011 0.869 9.781 1.00 0.00 H new ATOM 778 N ALA A 49 2.536 -0.828 9.651 1.00 0.00 N ATOM 779 CA ALA A 49 3.024 -2.089 9.109 1.00 0.00 C ATOM 780 C ALA A 49 4.381 -2.511 9.695 1.00 0.00 C ATOM 781 O ALA A 49 4.643 -3.701 9.851 1.00 0.00 O ATOM 782 CB ALA A 49 3.185 -1.959 7.590 1.00 0.00 C ATOM 0 H ALA A 49 2.641 -0.045 9.005 1.00 0.00 H new ATOM 0 HA ALA A 49 2.290 -2.849 9.376 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.550 -2.901 7.181 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.221 -1.718 7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.898 -1.166 7.366 1.00 0.00 H new ATOM 788 N LEU A 50 5.268 -1.557 9.975 1.00 0.00 N ATOM 789 CA LEU A 50 6.612 -1.818 10.492 1.00 0.00 C ATOM 790 C LEU A 50 6.645 -2.152 11.969 1.00 0.00 C ATOM 791 O LEU A 50 7.413 -3.031 12.375 1.00 0.00 O ATOM 792 CB LEU A 50 7.497 -0.591 10.247 1.00 0.00 C ATOM 793 CG LEU A 50 7.711 -0.347 8.747 1.00 0.00 C ATOM 794 CD1 LEU A 50 8.097 1.111 8.509 1.00 0.00 C ATOM 795 CD2 LEU A 50 8.741 -1.308 8.172 1.00 0.00 C ATOM 0 H LEU A 50 5.070 -0.565 9.847 1.00 0.00 H new ATOM 0 HA LEU A 50 6.981 -2.694 9.958 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.037 0.288 10.698 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.461 -0.732 10.736 1.00 0.00 H new ATOM 0 HG LEU A 50 6.776 -0.541 8.222 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.248 1.278 7.442 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.300 1.762 8.869 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.019 1.335 9.045 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.870 -1.109 7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.693 -1.170 8.685 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.399 -2.334 8.311 1.00 0.00 H new ATOM 807 N ASN A 51 5.899 -1.384 12.760 1.00 0.00 N ATOM 808 CA ASN A 51 5.814 -1.579 14.210 1.00 0.00 C ATOM 809 C ASN A 51 5.183 -2.924 14.550 1.00 0.00 C ATOM 810 O ASN A 51 5.121 -3.250 15.754 1.00 0.00 O ATOM 811 CB ASN A 51 5.049 -0.433 14.890 1.00 0.00 C ATOM 812 CG ASN A 51 5.917 0.807 14.997 1.00 0.00 C ATOM 813 OD1 ASN A 51 6.836 0.875 15.813 1.00 0.00 O ATOM 814 ND2 ASN A 51 5.681 1.805 14.170 1.00 0.00 N ATOM 0 H ASN A 51 5.335 -0.607 12.416 1.00 0.00 H new ATOM 0 HA ASN A 51 6.833 -1.575 14.596 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.148 -0.203 14.321 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.728 -0.744 15.884 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.262 2.643 14.203 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.917 1.740 13.497 1.00 0.00 H new ATOM 1055 N THR B 15 -14.037 0.618 -3.541 1.00 0.00 N ATOM 1056 CA THR B 15 -12.679 0.242 -3.222 1.00 0.00 C ATOM 1057 C THR B 15 -11.784 1.456 -3.520 1.00 0.00 C ATOM 1058 O THR B 15 -12.251 2.579 -3.723 1.00 0.00 O ATOM 1059 CB THR B 15 -12.342 -1.030 -4.036 1.00 0.00 C ATOM 1060 OG1 THR B 15 -11.262 -1.778 -3.507 1.00 0.00 O ATOM 1061 CG2 THR B 15 -12.000 -0.753 -5.507 1.00 0.00 C ATOM 0 HA THR B 15 -12.523 -0.012 -2.174 1.00 0.00 H new ATOM 0 HB THR B 15 -13.267 -1.602 -3.966 1.00 0.00 H new ATOM 0 HG1 THR B 15 -11.059 -1.464 -2.601 1.00 0.00 H new ATOM 0 HG21 THR B 15 -11.775 -1.693 -6.012 1.00 0.00 H new ATOM 0 HG22 THR B 15 -12.849 -0.274 -5.994 1.00 0.00 H new ATOM 0 HG23 THR B 15 -11.132 -0.096 -5.561 1.00 0.00 H new ATOM 1069 N VAL B 16 -10.479 1.229 -3.504 1.00 0.00 N ATOM 1070 CA VAL B 16 -9.477 2.234 -3.774 1.00 0.00 C ATOM 1071 C VAL B 16 -8.390 1.550 -4.585 1.00 0.00 C ATOM 1072 O VAL B 16 -8.214 0.334 -4.474 1.00 0.00 O ATOM 1073 CB VAL B 16 -8.888 2.771 -2.461 1.00 0.00 C ATOM 1074 CG1 VAL B 16 -8.188 4.119 -2.688 1.00 0.00 C ATOM 1075 CG2 VAL B 16 -9.888 2.942 -1.324 1.00 0.00 C ATOM 0 H VAL B 16 -10.083 0.312 -3.296 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.907 3.079 -4.312 1.00 0.00 H new ATOM 0 HB VAL B 16 -8.184 1.999 -2.152 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -7.779 4.480 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -7.381 3.993 -3.409 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.907 4.842 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -9.374 3.326 -0.442 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -10.665 3.644 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -10.341 1.979 -1.090 1.00 0.00 H new ATOM 1085 N VAL B 17 -7.655 2.321 -5.375 1.00 0.00 N ATOM 1086 CA VAL B 17 -6.560 1.854 -6.196 1.00 0.00 C ATOM 1087 C VAL B 17 -5.479 2.929 -6.139 1.00 0.00 C ATOM 1088 O VAL B 17 -5.711 4.075 -6.545 1.00 0.00 O ATOM 1089 CB VAL B 17 -7.061 1.488 -7.610 1.00 0.00 C ATOM 1090 CG1 VAL B 17 -7.641 2.660 -8.406 1.00 0.00 C ATOM 1091 CG2 VAL B 17 -5.959 0.834 -8.450 1.00 0.00 C ATOM 0 H VAL B 17 -7.816 3.325 -5.461 1.00 0.00 H new ATOM 0 HA VAL B 17 -6.122 0.925 -5.831 1.00 0.00 H new ATOM 0 HB VAL B 17 -7.873 0.785 -7.424 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -7.967 2.309 -9.385 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -8.492 3.079 -7.869 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.878 3.428 -8.531 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -6.350 0.591 -9.438 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -5.121 1.524 -8.551 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -5.621 -0.079 -7.959 1.00 0.00 H new ATOM 1101 N ARG B 18 -4.326 2.613 -5.558 1.00 0.00 N ATOM 1102 CA ARG B 18 -3.217 3.575 -5.482 1.00 0.00 C ATOM 1103 C ARG B 18 -1.916 2.799 -5.507 1.00 0.00 C ATOM 1104 O ARG B 18 -1.862 1.685 -4.977 1.00 0.00 O ATOM 1105 CB ARG B 18 -3.307 4.488 -4.239 1.00 0.00 C ATOM 1106 CG ARG B 18 -2.863 5.933 -4.550 1.00 0.00 C ATOM 1107 CD ARG B 18 -2.576 6.724 -3.264 1.00 0.00 C ATOM 1108 NE ARG B 18 -2.616 8.187 -3.464 1.00 0.00 N ATOM 1109 CZ ARG B 18 -2.754 9.100 -2.488 1.00 0.00 C ATOM 1110 NH1 ARG B 18 -2.656 8.760 -1.208 1.00 0.00 N ATOM 1111 NH2 ARG B 18 -2.996 10.371 -2.787 1.00 0.00 N ATOM 0 H ARG B 18 -4.130 1.706 -5.134 1.00 0.00 H new ATOM 0 HA ARG B 18 -3.271 4.245 -6.340 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -4.332 4.496 -3.868 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.683 4.080 -3.444 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -1.969 5.914 -5.173 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -3.641 6.438 -5.123 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.306 6.447 -2.503 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -1.595 6.442 -2.882 1.00 0.00 H new ATOM 0 HE ARG B 18 -2.532 8.532 -4.420 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -2.473 7.790 -0.951 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -2.764 9.469 -0.482 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -3.078 10.659 -3.762 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -3.100 11.059 -2.042 1.00 0.00 H new ATOM 1125 N THR B 19 -0.870 3.390 -6.072 1.00 0.00 N ATOM 1126 CA THR B 19 0.443 2.773 -6.181 1.00 0.00 C ATOM 1127 C THR B 19 1.332 3.360 -5.087 1.00 0.00 C ATOM 1128 O THR B 19 1.570 4.573 -5.083 1.00 0.00 O ATOM 1129 CB THR B 19 1.022 2.990 -7.588 1.00 0.00 C ATOM 1130 OG1 THR B 19 0.013 2.872 -8.578 1.00 0.00 O ATOM 1131 CG2 THR B 19 2.142 1.987 -7.874 1.00 0.00 C ATOM 0 H THR B 19 -0.913 4.327 -6.473 1.00 0.00 H new ATOM 0 HA THR B 19 0.379 1.694 -6.040 1.00 0.00 H new ATOM 0 HB THR B 19 1.431 4.000 -7.623 1.00 0.00 H new ATOM 0 HG1 THR B 19 0.406 3.016 -9.464 1.00 0.00 H new ATOM 0 HG21 THR B 19 2.537 2.159 -8.875 1.00 0.00 H new ATOM 0 HG22 THR B 19 2.940 2.114 -7.142 1.00 0.00 H new ATOM 0 HG23 THR B 19 1.748 0.973 -7.809 1.00 0.00 H new ATOM 1139 N LEU B 20 1.791 2.533 -4.149 1.00 0.00 N ATOM 1140 CA LEU B 20 2.640 2.940 -3.035 1.00 0.00 C ATOM 1141 C LEU B 20 4.011 2.276 -3.154 1.00 0.00 C ATOM 1142 O LEU B 20 4.148 1.241 -3.813 1.00 0.00 O ATOM 1143 CB LEU B 20 1.978 2.481 -1.722 1.00 0.00 C ATOM 1144 CG LEU B 20 2.304 3.388 -0.520 1.00 0.00 C ATOM 1145 CD1 LEU B 20 1.114 4.304 -0.230 1.00 0.00 C ATOM 1146 CD2 LEU B 20 2.631 2.587 0.739 1.00 0.00 C ATOM 0 H LEU B 20 1.576 1.536 -4.144 1.00 0.00 H new ATOM 0 HA LEU B 20 2.763 4.023 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU B 20 0.897 2.450 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.300 1.464 -1.498 1.00 0.00 H new ATOM 0 HG LEU B 20 3.185 3.972 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU B 20 1.347 4.945 0.621 1.00 0.00 H new ATOM 0 HD12 LEU B 20 0.909 4.922 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.237 3.699 0.001 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.854 3.271 1.558 1.00 0.00 H new ATOM 0 HD22 LEU B 20 1.776 1.966 1.007 1.00 0.00 H new ATOM 0 HD23 LEU B 20 3.497 1.952 0.551 1.00 0.00 H new ATOM 1158 N ARG B 21 5.016 2.839 -2.479 1.00 0.00 N ATOM 1159 CA ARG B 21 6.368 2.335 -2.446 1.00 0.00 C ATOM 1160 C ARG B 21 6.832 2.140 -1.019 1.00 0.00 C ATOM 1161 O ARG B 21 6.275 2.752 -0.103 1.00 0.00 O ATOM 1162 CB ARG B 21 7.292 3.338 -3.107 1.00 0.00 C ATOM 1163 CG ARG B 21 6.900 3.633 -4.557 1.00 0.00 C ATOM 1164 CD ARG B 21 8.194 3.865 -5.321 1.00 0.00 C ATOM 1165 NE ARG B 21 8.127 5.004 -6.237 1.00 0.00 N ATOM 1166 CZ ARG B 21 8.204 6.292 -5.889 1.00 0.00 C ATOM 1167 NH1 ARG B 21 8.341 6.638 -4.609 1.00 0.00 N ATOM 1168 NH2 ARG B 21 8.151 7.237 -6.820 1.00 0.00 N ATOM 0 H ARG B 21 4.894 3.687 -1.925 1.00 0.00 H new ATOM 0 HA ARG B 21 6.390 1.380 -2.970 1.00 0.00 H new ATOM 0 HB2 ARG B 21 7.283 4.266 -2.536 1.00 0.00 H new ATOM 0 HB3 ARG B 21 8.313 2.958 -3.081 1.00 0.00 H new ATOM 0 HG2 ARG B 21 6.342 2.800 -4.984 1.00 0.00 H new ATOM 0 HG3 ARG B 21 6.255 4.510 -4.613 1.00 0.00 H new ATOM 0 HD2 ARG B 21 9.004 4.026 -4.610 1.00 0.00 H new ATOM 0 HD3 ARG B 21 8.440 2.966 -5.887 1.00 0.00 H new ATOM 0 HE ARG B 21 8.011 4.797 -7.229 1.00 0.00 H new ATOM 0 HH11 ARG B 21 8.388 5.918 -3.888 1.00 0.00 H new ATOM 0 HH12 ARG B 21 8.399 7.623 -4.350 1.00 0.00 H new ATOM 0 HH21 ARG B 21 8.051 6.980 -7.802 1.00 0.00 H new ATOM 0 HH22 ARG B 21 8.210 8.220 -6.553 1.00 0.00 H new ATOM 1182 N PHE B 22 7.900 1.365 -0.851 1.00 0.00 N ATOM 1183 CA PHE B 22 8.510 1.053 0.431 1.00 0.00 C ATOM 1184 C PHE B 22 10.017 1.058 0.247 1.00 0.00 C ATOM 1185 O PHE B 22 10.498 0.770 -0.851 1.00 0.00 O ATOM 1186 CB PHE B 22 8.024 -0.312 0.936 1.00 0.00 C ATOM 1187 CG PHE B 22 6.557 -0.328 1.325 1.00 0.00 C ATOM 1188 CD1 PHE B 22 6.173 -0.008 2.642 1.00 0.00 C ATOM 1189 CD2 PHE B 22 5.571 -0.622 0.362 1.00 0.00 C ATOM 1190 CE1 PHE B 22 4.812 -0.006 2.996 1.00 0.00 C ATOM 1191 CE2 PHE B 22 4.209 -0.589 0.713 1.00 0.00 C ATOM 1192 CZ PHE B 22 3.829 -0.294 2.035 1.00 0.00 C ATOM 0 H PHE B 22 8.379 0.922 -1.635 1.00 0.00 H new ATOM 0 HA PHE B 22 8.227 1.796 1.177 1.00 0.00 H new ATOM 0 HB2 PHE B 22 8.194 -1.059 0.160 1.00 0.00 H new ATOM 0 HB3 PHE B 22 8.623 -0.606 1.798 1.00 0.00 H new ATOM 0 HD1 PHE B 22 6.923 0.236 3.379 1.00 0.00 H new ATOM 0 HD2 PHE B 22 5.861 -0.873 -0.647 1.00 0.00 H new ATOM 0 HE1 PHE B 22 4.521 0.218 4.012 1.00 0.00 H new ATOM 0 HE2 PHE B 22 3.455 -0.790 -0.033 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.785 -0.289 2.310 1.00 0.00 H new ATOM 1202 N SER B 23 10.756 1.467 1.269 1.00 0.00 N ATOM 1203 CA SER B 23 12.215 1.496 1.263 1.00 0.00 C ATOM 1204 C SER B 23 12.690 0.028 1.389 1.00 0.00 C ATOM 1205 O SER B 23 11.876 -0.840 1.710 1.00 0.00 O ATOM 1206 CB SER B 23 12.680 2.420 2.403 1.00 0.00 C ATOM 1207 OG SER B 23 12.014 3.674 2.336 1.00 0.00 O ATOM 0 H SER B 23 10.350 1.795 2.145 1.00 0.00 H new ATOM 0 HA SER B 23 12.647 1.903 0.349 1.00 0.00 H new ATOM 0 HB2 SER B 23 12.481 1.948 3.365 1.00 0.00 H new ATOM 0 HB3 SER B 23 13.758 2.571 2.339 1.00 0.00 H new ATOM 0 HG SER B 23 11.551 3.844 3.183 1.00 0.00 H new ATOM 1213 N PRO B 24 13.979 -0.298 1.188 1.00 0.00 N ATOM 1214 CA PRO B 24 14.435 -1.682 1.263 1.00 0.00 C ATOM 1215 C PRO B 24 14.251 -2.292 2.651 1.00 0.00 C ATOM 1216 O PRO B 24 13.764 -3.414 2.750 1.00 0.00 O ATOM 1217 CB PRO B 24 15.884 -1.679 0.776 1.00 0.00 C ATOM 1218 CG PRO B 24 16.350 -0.245 1.007 1.00 0.00 C ATOM 1219 CD PRO B 24 15.075 0.578 0.820 1.00 0.00 C ATOM 0 HA PRO B 24 13.830 -2.330 0.629 1.00 0.00 H new ATOM 0 HB2 PRO B 24 16.493 -2.391 1.333 1.00 0.00 H new ATOM 0 HB3 PRO B 24 15.952 -1.956 -0.276 1.00 0.00 H new ATOM 0 HG2 PRO B 24 16.769 -0.115 2.005 1.00 0.00 H new ATOM 0 HG3 PRO B 24 17.123 0.045 0.296 1.00 0.00 H new ATOM 0 HD2 PRO B 24 15.090 1.469 1.447 1.00 0.00 H new ATOM 0 HD3 PRO B 24 14.976 0.916 -0.212 1.00 0.00 H new ATOM 1227 N VAL B 25 14.598 -1.556 3.710 1.00 0.00 N ATOM 1228 CA VAL B 25 14.469 -2.008 5.095 1.00 0.00 C ATOM 1229 C VAL B 25 12.992 -2.208 5.450 1.00 0.00 C ATOM 1230 O VAL B 25 12.642 -3.161 6.145 1.00 0.00 O ATOM 1231 CB VAL B 25 15.132 -0.957 6.015 1.00 0.00 C ATOM 1232 CG1 VAL B 25 14.895 -1.222 7.509 1.00 0.00 C ATOM 1233 CG2 VAL B 25 16.644 -0.894 5.756 1.00 0.00 C ATOM 0 H VAL B 25 14.982 -0.615 3.626 1.00 0.00 H new ATOM 0 HA VAL B 25 14.969 -2.967 5.229 1.00 0.00 H new ATOM 0 HB VAL B 25 14.661 -0.005 5.770 1.00 0.00 H new ATOM 0 HG11 VAL B 25 15.387 -0.448 8.098 1.00 0.00 H new ATOM 0 HG12 VAL B 25 13.825 -1.210 7.715 1.00 0.00 H new ATOM 0 HG13 VAL B 25 15.305 -2.196 7.775 1.00 0.00 H new ATOM 0 HG21 VAL B 25 17.095 -0.149 6.412 1.00 0.00 H new ATOM 0 HG22 VAL B 25 17.088 -1.869 5.955 1.00 0.00 H new ATOM 0 HG23 VAL B 25 16.824 -0.619 4.717 1.00 0.00 H new ATOM 1243 N GLU B 26 12.133 -1.298 4.983 1.00 0.00 N ATOM 1244 CA GLU B 26 10.707 -1.356 5.254 1.00 0.00 C ATOM 1245 C GLU B 26 10.125 -2.628 4.647 1.00 0.00 C ATOM 1246 O GLU B 26 9.421 -3.380 5.313 1.00 0.00 O ATOM 1247 CB GLU B 26 9.987 -0.139 4.655 1.00 0.00 C ATOM 1248 CG GLU B 26 10.404 1.225 5.225 1.00 0.00 C ATOM 1249 CD GLU B 26 9.894 2.380 4.353 1.00 0.00 C ATOM 1250 OE1 GLU B 26 9.076 2.175 3.437 1.00 0.00 O ATOM 1251 OE2 GLU B 26 10.408 3.517 4.460 1.00 0.00 O ATOM 0 H GLU B 26 12.413 -0.504 4.408 1.00 0.00 H new ATOM 0 HA GLU B 26 10.562 -1.354 6.334 1.00 0.00 H new ATOM 0 HB2 GLU B 26 10.159 -0.131 3.579 1.00 0.00 H new ATOM 0 HB3 GLU B 26 8.915 -0.263 4.806 1.00 0.00 H new ATOM 0 HG2 GLU B 26 10.013 1.332 6.237 1.00 0.00 H new ATOM 0 HG3 GLU B 26 11.491 1.274 5.296 1.00 0.00 H new ATOM 1258 N ASP B 27 10.422 -2.837 3.367 1.00 0.00 N ATOM 1259 CA ASP B 27 9.984 -3.976 2.583 1.00 0.00 C ATOM 1260 C ASP B 27 10.460 -5.277 3.186 1.00 0.00 C ATOM 1261 O ASP B 27 9.666 -6.192 3.333 1.00 0.00 O ATOM 1262 CB ASP B 27 10.560 -3.819 1.183 1.00 0.00 C ATOM 1263 CG ASP B 27 10.359 -5.066 0.326 1.00 0.00 C ATOM 1264 OD1 ASP B 27 9.192 -5.376 -0.017 1.00 0.00 O ATOM 1265 OD2 ASP B 27 11.378 -5.643 -0.111 1.00 0.00 O ATOM 0 H ASP B 27 10.998 -2.188 2.831 1.00 0.00 H new ATOM 0 HA ASP B 27 8.895 -4.006 2.561 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.090 -2.966 0.694 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.625 -3.599 1.254 1.00 0.00 H new ATOM 1270 N GLU B 28 11.738 -5.343 3.540 1.00 0.00 N ATOM 1271 CA GLU B 28 12.365 -6.500 4.142 1.00 0.00 C ATOM 1272 C GLU B 28 11.621 -6.859 5.433 1.00 0.00 C ATOM 1273 O GLU B 28 11.267 -8.020 5.617 1.00 0.00 O ATOM 1274 CB GLU B 28 13.843 -6.142 4.330 1.00 0.00 C ATOM 1275 CG GLU B 28 14.718 -7.273 4.854 1.00 0.00 C ATOM 1276 CD GLU B 28 16.212 -6.913 4.768 1.00 0.00 C ATOM 1277 OE1 GLU B 28 16.605 -5.734 4.591 1.00 0.00 O ATOM 1278 OE2 GLU B 28 17.049 -7.839 4.790 1.00 0.00 O ATOM 0 H GLU B 28 12.383 -4.563 3.409 1.00 0.00 H new ATOM 0 HA GLU B 28 12.313 -7.397 3.525 1.00 0.00 H new ATOM 0 HB2 GLU B 28 14.244 -5.806 3.374 1.00 0.00 H new ATOM 0 HB3 GLU B 28 13.913 -5.300 5.019 1.00 0.00 H new ATOM 0 HG2 GLU B 28 14.453 -7.490 5.889 1.00 0.00 H new ATOM 0 HG3 GLU B 28 14.527 -8.179 4.279 1.00 0.00 H new ATOM 1285 N THR B 29 11.337 -5.870 6.288 1.00 0.00 N ATOM 1286 CA THR B 29 10.616 -6.093 7.536 1.00 0.00 C ATOM 1287 C THR B 29 9.214 -6.634 7.231 1.00 0.00 C ATOM 1288 O THR B 29 8.833 -7.698 7.709 1.00 0.00 O ATOM 1289 CB THR B 29 10.482 -4.774 8.334 1.00 0.00 C ATOM 1290 OG1 THR B 29 11.721 -4.132 8.600 1.00 0.00 O ATOM 1291 CG2 THR B 29 9.748 -4.981 9.669 1.00 0.00 C ATOM 0 H THR B 29 11.602 -4.898 6.131 1.00 0.00 H new ATOM 0 HA THR B 29 11.176 -6.814 8.132 1.00 0.00 H new ATOM 0 HB THR B 29 9.899 -4.126 7.680 1.00 0.00 H new ATOM 0 HG1 THR B 29 12.089 -3.773 7.766 1.00 0.00 H new ATOM 0 HG21 THR B 29 9.676 -4.030 10.196 1.00 0.00 H new ATOM 0 HG22 THR B 29 8.746 -5.366 9.478 1.00 0.00 H new ATOM 0 HG23 THR B 29 10.300 -5.694 10.281 1.00 0.00 H new ATOM 1299 N ILE B 30 8.425 -5.886 6.453 1.00 0.00 N ATOM 1300 CA ILE B 30 7.056 -6.248 6.110 1.00 0.00 C ATOM 1301 C ILE B 30 7.004 -7.650 5.508 1.00 0.00 C ATOM 1302 O ILE B 30 6.151 -8.447 5.890 1.00 0.00 O ATOM 1303 CB ILE B 30 6.422 -5.155 5.220 1.00 0.00 C ATOM 1304 CG1 ILE B 30 6.258 -3.855 6.046 1.00 0.00 C ATOM 1305 CG2 ILE B 30 5.055 -5.611 4.675 1.00 0.00 C ATOM 1306 CD1 ILE B 30 5.964 -2.622 5.187 1.00 0.00 C ATOM 0 H ILE B 30 8.727 -5.003 6.042 1.00 0.00 H new ATOM 0 HA ILE B 30 6.447 -6.294 7.013 1.00 0.00 H new ATOM 0 HB ILE B 30 7.078 -4.970 4.370 1.00 0.00 H new ATOM 0 HG12 ILE B 30 5.449 -3.989 6.764 1.00 0.00 H new ATOM 0 HG13 ILE B 30 7.168 -3.680 6.620 1.00 0.00 H new ATOM 0 HG21 ILE B 30 4.631 -4.824 4.052 1.00 0.00 H new ATOM 0 HG22 ILE B 30 5.184 -6.515 4.080 1.00 0.00 H new ATOM 0 HG23 ILE B 30 4.382 -5.818 5.507 1.00 0.00 H new ATOM 0 HD11 ILE B 30 5.861 -1.747 5.829 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.784 -2.463 4.486 1.00 0.00 H new ATOM 0 HD13 ILE B 30 5.038 -2.777 4.633 1.00 0.00 H new ATOM 1318 N ARG B 31 7.897 -7.961 4.572 1.00 0.00 N ATOM 1319 CA ARG B 31 7.943 -9.257 3.922 1.00 0.00 C ATOM 1320 C ARG B 31 8.203 -10.359 4.937 1.00 0.00 C ATOM 1321 O ARG B 31 7.505 -11.368 4.903 1.00 0.00 O ATOM 1322 CB ARG B 31 9.018 -9.229 2.830 1.00 0.00 C ATOM 1323 CG ARG B 31 8.943 -10.459 1.924 1.00 0.00 C ATOM 1324 CD ARG B 31 10.157 -10.468 0.996 1.00 0.00 C ATOM 1325 NE ARG B 31 10.015 -11.509 -0.031 1.00 0.00 N ATOM 1326 CZ ARG B 31 10.970 -11.918 -0.873 1.00 0.00 C ATOM 1327 NH1 ARG B 31 12.233 -11.525 -0.736 1.00 0.00 N ATOM 1328 NH2 ARG B 31 10.643 -12.716 -1.876 1.00 0.00 N ATOM 0 H ARG B 31 8.612 -7.312 4.245 1.00 0.00 H new ATOM 0 HA ARG B 31 6.979 -9.471 3.460 1.00 0.00 H new ATOM 0 HB2 ARG B 31 8.901 -8.327 2.229 1.00 0.00 H new ATOM 0 HB3 ARG B 31 10.004 -9.178 3.292 1.00 0.00 H new ATOM 0 HG2 ARG B 31 8.922 -11.368 2.525 1.00 0.00 H new ATOM 0 HG3 ARG B 31 8.023 -10.441 1.340 1.00 0.00 H new ATOM 0 HD2 ARG B 31 10.265 -9.493 0.521 1.00 0.00 H new ATOM 0 HD3 ARG B 31 11.063 -10.643 1.576 1.00 0.00 H new ATOM 0 HE ARG B 31 9.104 -11.961 -0.109 1.00 0.00 H new ATOM 0 HH11 ARG B 31 12.492 -10.897 0.025 1.00 0.00 H new ATOM 0 HH12 ARG B 31 12.943 -11.851 -1.392 1.00 0.00 H new ATOM 0 HH21 ARG B 31 9.674 -13.010 -1.998 1.00 0.00 H new ATOM 0 HH22 ARG B 31 11.360 -13.037 -2.527 1.00 0.00 H new ATOM 1342 N LYS B 32 9.195 -10.190 5.815 1.00 0.00 N ATOM 1343 CA LYS B 32 9.512 -11.214 6.802 1.00 0.00 C ATOM 1344 C LYS B 32 8.359 -11.380 7.774 1.00 0.00 C ATOM 1345 O LYS B 32 7.975 -12.514 8.042 1.00 0.00 O ATOM 1346 CB LYS B 32 10.836 -10.929 7.534 1.00 0.00 C ATOM 1347 CG LYS B 32 12.030 -11.638 6.874 1.00 0.00 C ATOM 1348 CD LYS B 32 12.491 -10.929 5.598 1.00 0.00 C ATOM 1349 CE LYS B 32 13.419 -11.813 4.764 1.00 0.00 C ATOM 1350 NZ LYS B 32 14.768 -11.975 5.347 1.00 0.00 N ATOM 0 H LYS B 32 9.786 -9.360 5.859 1.00 0.00 H new ATOM 0 HA LYS B 32 9.654 -12.155 6.271 1.00 0.00 H new ATOM 0 HB2 LYS B 32 11.017 -9.854 7.549 1.00 0.00 H new ATOM 0 HB3 LYS B 32 10.752 -11.252 8.572 1.00 0.00 H new ATOM 0 HG2 LYS B 32 12.858 -11.685 7.581 1.00 0.00 H new ATOM 0 HG3 LYS B 32 11.754 -12.666 6.637 1.00 0.00 H new ATOM 0 HD2 LYS B 32 11.622 -10.650 5.002 1.00 0.00 H new ATOM 0 HD3 LYS B 32 13.007 -10.006 5.861 1.00 0.00 H new ATOM 0 HE2 LYS B 32 12.963 -12.796 4.648 1.00 0.00 H new ATOM 0 HE3 LYS B 32 13.513 -11.386 3.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 15.342 -12.585 4.730 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 15.223 -11.044 5.433 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 14.689 -12.410 6.288 1.00 0.00 H new ATOM 1364 N LYS B 33 7.794 -10.290 8.298 1.00 0.00 N ATOM 1365 CA LYS B 33 6.689 -10.341 9.248 1.00 0.00 C ATOM 1366 C LYS B 33 5.497 -11.057 8.632 1.00 0.00 C ATOM 1367 O LYS B 33 4.918 -11.944 9.267 1.00 0.00 O ATOM 1368 CB LYS B 33 6.284 -8.924 9.678 1.00 0.00 C ATOM 1369 CG LYS B 33 7.277 -8.272 10.653 1.00 0.00 C ATOM 1370 CD LYS B 33 6.614 -7.046 11.287 1.00 0.00 C ATOM 1371 CE LYS B 33 7.459 -6.426 12.398 1.00 0.00 C ATOM 1372 NZ LYS B 33 6.610 -5.709 13.368 1.00 0.00 N ATOM 0 H LYS B 33 8.095 -9.342 8.071 1.00 0.00 H new ATOM 0 HA LYS B 33 7.018 -10.893 10.128 1.00 0.00 H new ATOM 0 HB2 LYS B 33 6.192 -8.296 8.792 1.00 0.00 H new ATOM 0 HB3 LYS B 33 5.300 -8.962 10.145 1.00 0.00 H new ATOM 0 HG2 LYS B 33 7.570 -8.984 11.425 1.00 0.00 H new ATOM 0 HG3 LYS B 33 8.186 -7.980 10.127 1.00 0.00 H new ATOM 0 HD2 LYS B 33 6.430 -6.298 10.516 1.00 0.00 H new ATOM 0 HD3 LYS B 33 5.643 -7.332 11.691 1.00 0.00 H new ATOM 0 HE2 LYS B 33 8.023 -7.206 12.909 1.00 0.00 H new ATOM 0 HE3 LYS B 33 8.186 -5.738 11.966 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 6.717 -4.684 13.232 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 5.615 -5.976 13.222 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 6.898 -5.962 14.335 1.00 0.00 H new ATOM 1386 N ALA B 34 5.144 -10.676 7.405 1.00 0.00 N ATOM 1387 CA ALA B 34 4.039 -11.247 6.660 1.00 0.00 C ATOM 1388 C ALA B 34 4.233 -12.753 6.498 1.00 0.00 C ATOM 1389 O ALA B 34 3.390 -13.545 6.918 1.00 0.00 O ATOM 1390 CB ALA B 34 3.938 -10.549 5.302 1.00 0.00 C ATOM 0 H ALA B 34 5.636 -9.942 6.895 1.00 0.00 H new ATOM 0 HA ALA B 34 3.107 -11.093 7.203 1.00 0.00 H new ATOM 0 HB1 ALA B 34 3.109 -10.973 4.736 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.767 -9.483 5.453 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.866 -10.693 4.749 1.00 0.00 H new ATOM 1396 N GLU B 35 5.368 -13.138 5.921 1.00 0.00 N ATOM 1397 CA GLU B 35 5.703 -14.526 5.640 1.00 0.00 C ATOM 1398 C GLU B 35 5.820 -15.374 6.905 1.00 0.00 C ATOM 1399 O GLU B 35 5.451 -16.550 6.895 1.00 0.00 O ATOM 1400 CB GLU B 35 6.958 -14.574 4.761 1.00 0.00 C ATOM 1401 CG GLU B 35 7.055 -15.917 4.032 1.00 0.00 C ATOM 1402 CD GLU B 35 8.071 -15.865 2.899 1.00 0.00 C ATOM 1403 OE1 GLU B 35 7.757 -15.273 1.838 1.00 0.00 O ATOM 1404 OE2 GLU B 35 9.168 -16.445 3.041 1.00 0.00 O ATOM 0 H GLU B 35 6.092 -12.480 5.631 1.00 0.00 H new ATOM 0 HA GLU B 35 4.881 -14.980 5.086 1.00 0.00 H new ATOM 0 HB2 GLU B 35 6.931 -13.761 4.035 1.00 0.00 H new ATOM 0 HB3 GLU B 35 7.845 -14.423 5.376 1.00 0.00 H new ATOM 0 HG2 GLU B 35 7.337 -16.697 4.740 1.00 0.00 H new ATOM 0 HG3 GLU B 35 6.077 -16.187 3.633 1.00 0.00 H new ATOM 1411 N ASP B 36 6.308 -14.786 7.994 1.00 0.00 N ATOM 1412 CA ASP B 36 6.457 -15.450 9.284 1.00 0.00 C ATOM 1413 C ASP B 36 5.066 -15.735 9.838 1.00 0.00 C ATOM 1414 O ASP B 36 4.815 -16.820 10.357 1.00 0.00 O ATOM 1415 CB ASP B 36 7.240 -14.558 10.250 1.00 0.00 C ATOM 1416 CG ASP B 36 7.101 -15.014 11.698 1.00 0.00 C ATOM 1417 OD1 ASP B 36 7.824 -15.948 12.116 1.00 0.00 O ATOM 1418 OD2 ASP B 36 6.287 -14.393 12.418 1.00 0.00 O ATOM 0 H ASP B 36 6.617 -13.814 8.004 1.00 0.00 H new ATOM 0 HA ASP B 36 7.008 -16.383 9.163 1.00 0.00 H new ATOM 0 HB2 ASP B 36 8.293 -14.560 9.970 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.888 -13.530 10.159 1.00 0.00 H new ATOM 1423 N SER B 37 4.154 -14.769 9.712 1.00 0.00 N ATOM 1424 CA SER B 37 2.784 -14.912 10.185 1.00 0.00 C ATOM 1425 C SER B 37 2.016 -15.885 9.275 1.00 0.00 C ATOM 1426 O SER B 37 1.102 -16.588 9.716 1.00 0.00 O ATOM 1427 CB SER B 37 2.163 -13.510 10.230 1.00 0.00 C ATOM 1428 OG SER B 37 0.857 -13.484 10.771 1.00 0.00 O ATOM 0 H SER B 37 4.349 -13.867 9.278 1.00 0.00 H new ATOM 0 HA SER B 37 2.743 -15.340 11.187 1.00 0.00 H new ATOM 0 HB2 SER B 37 2.805 -12.857 10.821 1.00 0.00 H new ATOM 0 HB3 SER B 37 2.136 -13.101 9.220 1.00 0.00 H new ATOM 0 HG SER B 37 0.522 -12.563 10.772 1.00 0.00 H new ATOM 1434 N GLY B 38 2.421 -15.996 8.009 1.00 0.00 N ATOM 1435 CA GLY B 38 1.814 -16.858 7.007 1.00 0.00 C ATOM 1436 C GLY B 38 0.838 -16.097 6.120 1.00 0.00 C ATOM 1437 O GLY B 38 0.273 -16.690 5.199 1.00 0.00 O ATOM 0 H GLY B 38 3.212 -15.465 7.644 1.00 0.00 H new ATOM 0 HA2 GLY B 38 2.595 -17.303 6.390 1.00 0.00 H new ATOM 0 HA3 GLY B 38 1.292 -17.678 7.501 1.00 0.00 H new ATOM 1441 N LEU B 39 0.603 -14.816 6.408 1.00 0.00 N ATOM 1442 CA LEU B 39 -0.286 -13.951 5.680 1.00 0.00 C ATOM 1443 C LEU B 39 0.516 -13.329 4.557 1.00 0.00 C ATOM 1444 O LEU B 39 1.706 -13.041 4.672 1.00 0.00 O ATOM 1445 CB LEU B 39 -0.831 -12.823 6.583 1.00 0.00 C ATOM 1446 CG LEU B 39 -1.516 -13.267 7.890 1.00 0.00 C ATOM 1447 CD1 LEU B 39 -2.183 -12.059 8.562 1.00 0.00 C ATOM 1448 CD2 LEU B 39 -2.565 -14.361 7.676 1.00 0.00 C ATOM 0 H LEU B 39 1.054 -14.346 7.193 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.134 -14.527 5.308 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -0.005 -12.159 6.838 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -1.545 -12.236 6.005 1.00 0.00 H new ATOM 0 HG LEU B 39 -0.735 -13.684 8.526 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -2.666 -12.377 9.486 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -1.428 -11.306 8.788 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -2.929 -11.635 7.890 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -3.011 -14.630 8.634 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -3.341 -13.994 7.005 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -2.091 -15.239 7.237 1.00 0.00 H new ATOM 1460 N THR B 40 -0.130 -13.136 3.430 1.00 0.00 N ATOM 1461 CA THR B 40 0.493 -12.503 2.287 1.00 0.00 C ATOM 1462 C THR B 40 0.717 -11.041 2.683 1.00 0.00 C ATOM 1463 O THR B 40 -0.108 -10.454 3.388 1.00 0.00 O ATOM 1464 CB THR B 40 -0.421 -12.699 1.066 1.00 0.00 C ATOM 1465 OG1 THR B 40 0.005 -11.902 -0.025 1.00 0.00 O ATOM 1466 CG2 THR B 40 -1.890 -12.393 1.386 1.00 0.00 C ATOM 0 H THR B 40 -1.100 -13.412 3.278 1.00 0.00 H new ATOM 0 HA THR B 40 1.456 -12.931 2.008 1.00 0.00 H new ATOM 0 HB THR B 40 -0.347 -13.751 0.791 1.00 0.00 H new ATOM 0 HG1 THR B 40 -0.593 -11.131 -0.120 1.00 0.00 H new ATOM 0 HG21 THR B 40 -2.496 -12.546 0.493 1.00 0.00 H new ATOM 0 HG22 THR B 40 -2.236 -13.058 2.178 1.00 0.00 H new ATOM 0 HG23 THR B 40 -1.983 -11.358 1.715 1.00 0.00 H new ATOM 1474 N VAL B 41 1.784 -10.413 2.189 1.00 0.00 N ATOM 1475 CA VAL B 41 2.097 -9.012 2.478 1.00 0.00 C ATOM 1476 C VAL B 41 0.871 -8.116 2.243 1.00 0.00 C ATOM 1477 O VAL B 41 0.636 -7.190 3.019 1.00 0.00 O ATOM 1478 CB VAL B 41 3.317 -8.555 1.654 1.00 0.00 C ATOM 1479 CG1 VAL B 41 3.531 -7.039 1.753 1.00 0.00 C ATOM 1480 CG2 VAL B 41 4.602 -9.234 2.135 1.00 0.00 C ATOM 0 H VAL B 41 2.460 -10.864 1.573 1.00 0.00 H new ATOM 0 HA VAL B 41 2.359 -8.920 3.532 1.00 0.00 H new ATOM 0 HB VAL B 41 3.105 -8.835 0.622 1.00 0.00 H new ATOM 0 HG11 VAL B 41 4.400 -6.755 1.159 1.00 0.00 H new ATOM 0 HG12 VAL B 41 2.649 -6.522 1.376 1.00 0.00 H new ATOM 0 HG13 VAL B 41 3.697 -6.762 2.794 1.00 0.00 H new ATOM 0 HG21 VAL B 41 5.443 -8.890 1.533 1.00 0.00 H new ATOM 0 HG22 VAL B 41 4.777 -8.982 3.181 1.00 0.00 H new ATOM 0 HG23 VAL B 41 4.502 -10.315 2.034 1.00 0.00 H new ATOM 1490 N SER B 42 0.063 -8.372 1.210 1.00 0.00 N ATOM 1491 CA SER B 42 -1.117 -7.552 0.953 1.00 0.00 C ATOM 1492 C SER B 42 -2.116 -7.610 2.115 1.00 0.00 C ATOM 1493 O SER B 42 -2.763 -6.604 2.395 1.00 0.00 O ATOM 1494 CB SER B 42 -1.747 -7.936 -0.388 1.00 0.00 C ATOM 1495 OG SER B 42 -1.902 -9.339 -0.493 1.00 0.00 O ATOM 0 H SER B 42 0.205 -9.133 0.546 1.00 0.00 H new ATOM 0 HA SER B 42 -0.805 -6.510 0.882 1.00 0.00 H new ATOM 0 HB2 SER B 42 -2.718 -7.451 -0.490 1.00 0.00 H new ATOM 0 HB3 SER B 42 -1.122 -7.574 -1.204 1.00 0.00 H new ATOM 0 HG SER B 42 -2.308 -9.560 -1.357 1.00 0.00 H new ATOM 1501 N ALA B 43 -2.282 -8.783 2.743 1.00 0.00 N ATOM 1502 CA ALA B 43 -3.160 -9.024 3.884 1.00 0.00 C ATOM 1503 C ALA B 43 -2.523 -8.397 5.119 1.00 0.00 C ATOM 1504 O ALA B 43 -3.207 -7.735 5.893 1.00 0.00 O ATOM 1505 CB ALA B 43 -3.365 -10.525 4.128 1.00 0.00 C ATOM 0 H ALA B 43 -1.783 -9.624 2.452 1.00 0.00 H new ATOM 0 HA ALA B 43 -4.135 -8.582 3.678 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -4.024 -10.668 4.985 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -3.815 -10.979 3.245 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -2.403 -10.996 4.328 1.00 0.00 H new ATOM 1511 N TYR B 44 -1.210 -8.578 5.284 1.00 0.00 N ATOM 1512 CA TYR B 44 -0.456 -8.037 6.400 1.00 0.00 C ATOM 1513 C TYR B 44 -0.650 -6.516 6.454 1.00 0.00 C ATOM 1514 O TYR B 44 -1.024 -5.982 7.490 1.00 0.00 O ATOM 1515 CB TYR B 44 1.014 -8.451 6.263 1.00 0.00 C ATOM 1516 CG TYR B 44 1.874 -7.891 7.367 1.00 0.00 C ATOM 1517 CD1 TYR B 44 2.401 -6.595 7.236 1.00 0.00 C ATOM 1518 CD2 TYR B 44 2.070 -8.617 8.555 1.00 0.00 C ATOM 1519 CE1 TYR B 44 3.076 -5.999 8.309 1.00 0.00 C ATOM 1520 CE2 TYR B 44 2.725 -8.015 9.641 1.00 0.00 C ATOM 1521 CZ TYR B 44 3.204 -6.692 9.534 1.00 0.00 C ATOM 1522 OH TYR B 44 3.753 -6.088 10.618 1.00 0.00 O ATOM 0 H TYR B 44 -0.639 -9.114 4.631 1.00 0.00 H new ATOM 0 HA TYR B 44 -0.816 -8.438 7.347 1.00 0.00 H new ATOM 0 HB2 TYR B 44 1.084 -9.539 6.268 1.00 0.00 H new ATOM 0 HB3 TYR B 44 1.396 -8.111 5.300 1.00 0.00 H new ATOM 0 HD1 TYR B 44 2.285 -6.057 6.306 1.00 0.00 H new ATOM 0 HD2 TYR B 44 1.718 -9.635 8.632 1.00 0.00 H new ATOM 0 HE1 TYR B 44 3.498 -5.011 8.200 1.00 0.00 H new ATOM 0 HE2 TYR B 44 2.863 -8.565 10.560 1.00 0.00 H new ATOM 0 HH TYR B 44 4.091 -5.204 10.364 1.00 0.00 H new ATOM 1532 N ILE B 45 -0.461 -5.821 5.323 1.00 0.00 N ATOM 1533 CA ILE B 45 -0.609 -4.372 5.200 1.00 0.00 C ATOM 1534 C ILE B 45 -1.973 -3.919 5.732 1.00 0.00 C ATOM 1535 O ILE B 45 -2.027 -3.160 6.697 1.00 0.00 O ATOM 1536 CB ILE B 45 -0.354 -3.947 3.729 1.00 0.00 C ATOM 1537 CG1 ILE B 45 1.148 -3.977 3.365 1.00 0.00 C ATOM 1538 CG2 ILE B 45 -0.954 -2.574 3.373 1.00 0.00 C ATOM 1539 CD1 ILE B 45 1.996 -2.887 4.030 1.00 0.00 C ATOM 0 H ILE B 45 -0.193 -6.268 4.446 1.00 0.00 H new ATOM 0 HA ILE B 45 0.136 -3.869 5.816 1.00 0.00 H new ATOM 0 HB ILE B 45 -0.875 -4.693 3.129 1.00 0.00 H new ATOM 0 HG12 ILE B 45 1.554 -4.951 3.640 1.00 0.00 H new ATOM 0 HG13 ILE B 45 1.247 -3.884 2.283 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.737 -2.342 2.330 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -2.033 -2.599 3.523 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.516 -1.809 4.014 1.00 0.00 H new ATOM 0 HD11 ILE B 45 3.034 -2.990 3.714 1.00 0.00 H new ATOM 0 HD12 ILE B 45 1.623 -1.906 3.736 1.00 0.00 H new ATOM 0 HD13 ILE B 45 1.935 -2.989 5.114 1.00 0.00 H new ATOM 1551 N ARG B 46 -3.067 -4.352 5.096 1.00 0.00 N ATOM 1552 CA ARG B 46 -4.428 -3.990 5.489 1.00 0.00 C ATOM 1553 C ARG B 46 -4.712 -4.328 6.946 1.00 0.00 C ATOM 1554 O ARG B 46 -5.222 -3.471 7.659 1.00 0.00 O ATOM 1555 CB ARG B 46 -5.465 -4.607 4.531 1.00 0.00 C ATOM 1556 CG ARG B 46 -5.377 -6.130 4.400 1.00 0.00 C ATOM 1557 CD ARG B 46 -6.330 -6.732 3.376 1.00 0.00 C ATOM 1558 NE ARG B 46 -6.266 -6.092 2.051 1.00 0.00 N ATOM 1559 CZ ARG B 46 -7.183 -6.305 1.102 1.00 0.00 C ATOM 1560 NH1 ARG B 46 -8.078 -7.270 1.258 1.00 0.00 N ATOM 1561 NH2 ARG B 46 -7.216 -5.563 0.001 1.00 0.00 N ATOM 0 H ARG B 46 -3.029 -4.970 4.286 1.00 0.00 H new ATOM 0 HA ARG B 46 -4.517 -2.907 5.406 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -6.464 -4.341 4.876 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -5.340 -4.162 3.544 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -4.356 -6.400 4.130 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -5.579 -6.578 5.373 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -6.107 -7.793 3.267 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -7.349 -6.658 3.755 1.00 0.00 H new ATOM 0 HE ARG B 46 -5.491 -5.461 1.849 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -8.065 -7.846 2.099 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -8.780 -7.436 0.537 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -6.534 -4.816 -0.131 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -7.923 -5.740 -0.712 1.00 0.00 H new ATOM 1575 N ASN B 47 -4.383 -5.538 7.394 1.00 0.00 N ATOM 1576 CA ASN B 47 -4.629 -5.952 8.763 1.00 0.00 C ATOM 1577 C ASN B 47 -3.909 -5.042 9.750 1.00 0.00 C ATOM 1578 O ASN B 47 -4.564 -4.497 10.638 1.00 0.00 O ATOM 1579 CB ASN B 47 -4.231 -7.418 8.965 1.00 0.00 C ATOM 1580 CG ASN B 47 -4.360 -7.759 10.439 1.00 0.00 C ATOM 1581 OD1 ASN B 47 -5.459 -7.730 10.991 1.00 0.00 O ATOM 1582 ND2 ASN B 47 -3.250 -8.027 11.090 1.00 0.00 N ATOM 0 H ASN B 47 -3.940 -6.253 6.816 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.698 -5.864 8.957 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.871 -8.069 8.369 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -3.208 -7.582 8.627 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -3.280 -8.221 12.091 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -2.359 -8.041 10.594 1.00 0.00 H new ATOM 1589 N ALA B 48 -2.600 -4.858 9.575 1.00 0.00 N ATOM 1590 CA ALA B 48 -1.778 -4.026 10.440 1.00 0.00 C ATOM 1591 C ALA B 48 -2.200 -2.557 10.403 1.00 0.00 C ATOM 1592 O ALA B 48 -2.079 -1.858 11.401 1.00 0.00 O ATOM 1593 CB ALA B 48 -0.307 -4.169 10.030 1.00 0.00 C ATOM 0 H ALA B 48 -2.077 -5.292 8.814 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.915 -4.368 11.466 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.313 -3.547 10.676 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.002 -5.211 10.128 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -0.185 -3.851 8.995 1.00 0.00 H new ATOM 1599 N ALA B 49 -2.688 -2.070 9.258 1.00 0.00 N ATOM 1600 CA ALA B 49 -3.117 -0.684 9.128 1.00 0.00 C ATOM 1601 C ALA B 49 -4.374 -0.418 9.949 1.00 0.00 C ATOM 1602 O ALA B 49 -4.544 0.687 10.467 1.00 0.00 O ATOM 1603 CB ALA B 49 -3.398 -0.344 7.664 1.00 0.00 C ATOM 0 H ALA B 49 -2.794 -2.622 8.407 1.00 0.00 H new ATOM 0 HA ALA B 49 -2.308 -0.056 9.502 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -3.717 0.695 7.587 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -2.492 -0.490 7.076 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -4.186 -0.995 7.284 1.00 0.00 H new ATOM 1609 N LEU B 50 -5.289 -1.386 10.009 1.00 0.00 N ATOM 1610 CA LEU B 50 -6.531 -1.244 10.756 1.00 0.00 C ATOM 1611 C LEU B 50 -6.289 -1.481 12.239 1.00 0.00 C ATOM 1612 O LEU B 50 -6.863 -0.768 13.060 1.00 0.00 O ATOM 1613 CB LEU B 50 -7.585 -2.244 10.273 1.00 0.00 C ATOM 1614 CG LEU B 50 -7.933 -2.119 8.782 1.00 0.00 C ATOM 1615 CD1 LEU B 50 -8.585 -3.433 8.355 1.00 0.00 C ATOM 1616 CD2 LEU B 50 -8.820 -0.918 8.450 1.00 0.00 C ATOM 0 H LEU B 50 -5.187 -2.287 9.541 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.893 -0.229 10.592 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -7.227 -3.255 10.468 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.494 -2.109 10.860 1.00 0.00 H new ATOM 0 HG LEU B 50 -7.015 -1.935 8.224 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.847 -3.382 7.298 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -7.887 -4.255 8.517 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.486 -3.601 8.945 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -9.021 -0.899 7.379 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.761 -0.999 8.994 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.311 0.001 8.740 1.00 0.00 H new ATOM 1628 N ASN B 51 -5.475 -2.485 12.559 1.00 0.00 N ATOM 1629 CA ASN B 51 -5.153 -2.878 13.923 1.00 0.00 C ATOM 1630 C ASN B 51 -3.834 -2.287 14.368 1.00 0.00 C ATOM 1631 O ASN B 51 -2.836 -3.039 14.466 1.00 0.00 O ATOM 1632 CB ASN B 51 -5.159 -4.407 14.036 1.00 0.00 C ATOM 1633 CG ASN B 51 -6.517 -4.969 13.669 1.00 0.00 C ATOM 1634 OD1 ASN B 51 -7.456 -4.964 14.461 1.00 0.00 O ATOM 1635 ND2 ASN B 51 -6.694 -5.410 12.439 1.00 0.00 N ATOM 0 H ASN B 51 -5.011 -3.060 11.856 1.00 0.00 H new ATOM 0 HA ASN B 51 -5.915 -2.482 14.594 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -4.397 -4.827 13.380 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -4.901 -4.702 15.053 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -7.611 -5.747 12.145 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -5.914 -5.414 11.782 1.00 0.00 H new