USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 349 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 Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -6.23! C(o=-6.2!,f=-6.9!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 58 GLN : amide:sc= -0.471 K(o=-0.47,f=-1.6) USER MOD Single : A 59 ASN : amide:sc= -0.279 K(o=-0.28,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 236 N ASP A 15 25.890 8.817 0.732 1.00 0.00 N ATOM 237 CA ASP A 15 24.541 8.478 0.195 1.00 0.00 C ATOM 238 C ASP A 15 24.427 6.969 -0.030 1.00 0.00 C ATOM 239 O ASP A 15 23.355 6.445 -0.262 1.00 0.00 O ATOM 240 CB ASP A 15 24.446 9.226 -1.134 1.00 0.00 C ATOM 241 CG ASP A 15 23.738 10.565 -0.918 1.00 0.00 C ATOM 242 OD1 ASP A 15 22.519 10.577 -0.935 1.00 0.00 O ATOM 243 OD2 ASP A 15 24.428 11.555 -0.738 1.00 0.00 O ATOM 0 HA ASP A 15 23.740 8.759 0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 15 25.443 9.392 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 15 23.899 8.627 -1.862 1.00 0.00 H new ATOM 248 N LYS A 16 25.524 6.266 0.036 1.00 0.00 N ATOM 249 CA LYS A 16 25.482 4.790 -0.176 1.00 0.00 C ATOM 250 C LYS A 16 24.276 4.187 0.545 1.00 0.00 C ATOM 251 O LYS A 16 23.489 3.464 -0.034 1.00 0.00 O ATOM 252 CB LYS A 16 26.785 4.265 0.428 1.00 0.00 C ATOM 253 CG LYS A 16 27.925 4.456 -0.575 1.00 0.00 C ATOM 254 CD LYS A 16 29.126 3.609 -0.151 1.00 0.00 C ATOM 255 CE LYS A 16 30.410 4.222 -0.717 1.00 0.00 C ATOM 256 NZ LYS A 16 31.278 3.059 -1.047 1.00 0.00 N ATOM 0 H LYS A 16 26.449 6.650 0.228 1.00 0.00 H new ATOM 0 HA LYS A 16 25.386 4.527 -1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 16 27.008 4.795 1.354 1.00 0.00 H new ATOM 0 HB3 LYS A 16 26.682 3.210 0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 16 27.597 4.167 -1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 16 28.208 5.508 -0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 16 29.183 3.559 0.936 1.00 0.00 H new ATOM 0 HD3 LYS A 16 29.009 2.587 -0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 16 30.203 4.824 -1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 16 30.888 4.878 0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 32.179 3.399 -1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 31.463 2.508 -0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 30.800 2.456 -1.747 1.00 0.00 H new ATOM 270 N ALA A 17 24.124 4.482 1.804 1.00 0.00 N ATOM 271 CA ALA A 17 22.967 3.929 2.565 1.00 0.00 C ATOM 272 C ALA A 17 21.663 4.540 2.053 1.00 0.00 C ATOM 273 O ALA A 17 20.609 3.940 2.138 1.00 0.00 O ATOM 274 CB ALA A 17 23.218 4.330 4.017 1.00 0.00 C ATOM 0 H ALA A 17 24.750 5.082 2.341 1.00 0.00 H new ATOM 0 HA ALA A 17 22.876 2.848 2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 17 22.407 3.958 4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.162 3.902 4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.265 5.416 4.092 1.00 0.00 H new ATOM 280 N LEU A 18 21.725 5.726 1.516 1.00 0.00 N ATOM 281 CA LEU A 18 20.488 6.370 0.991 1.00 0.00 C ATOM 282 C LEU A 18 20.165 5.810 -0.394 1.00 0.00 C ATOM 283 O LEU A 18 19.025 5.775 -0.812 1.00 0.00 O ATOM 284 CB LEU A 18 20.821 7.860 0.908 1.00 0.00 C ATOM 285 CG LEU A 18 19.638 8.678 1.430 1.00 0.00 C ATOM 286 CD1 LEU A 18 19.760 8.842 2.947 1.00 0.00 C ATOM 287 CD2 LEU A 18 19.640 10.057 0.768 1.00 0.00 C ATOM 0 H LEU A 18 22.578 6.277 1.418 1.00 0.00 H new ATOM 0 HA LEU A 18 19.619 6.187 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 18 21.714 8.077 1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.042 8.137 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 18 18.708 8.162 1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 18 18.917 9.425 3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 18 19.759 7.860 3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 18 20.690 9.358 3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 18 18.797 10.640 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.571 10.573 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.553 9.942 -0.312 1.00 0.00 H new ATOM 299 N ALA A 19 21.165 5.367 -1.106 1.00 0.00 N ATOM 300 CA ALA A 19 20.920 4.801 -2.462 1.00 0.00 C ATOM 301 C ALA A 19 20.330 3.395 -2.342 1.00 0.00 C ATOM 302 O ALA A 19 19.651 2.919 -3.230 1.00 0.00 O ATOM 303 CB ALA A 19 22.295 4.753 -3.126 1.00 0.00 C ATOM 0 H ALA A 19 22.140 5.373 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 19 20.212 5.396 -3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 19 22.199 4.346 -4.133 1.00 0.00 H new ATOM 0 HB2 ALA A 19 22.708 5.760 -3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 19 22.960 4.119 -2.540 1.00 0.00 H new ATOM 309 N VAL A 20 20.580 2.727 -1.248 1.00 0.00 N ATOM 310 CA VAL A 20 20.028 1.353 -1.075 1.00 0.00 C ATOM 311 C VAL A 20 18.532 1.426 -0.757 1.00 0.00 C ATOM 312 O VAL A 20 17.786 0.502 -1.022 1.00 0.00 O ATOM 313 CB VAL A 20 20.803 0.754 0.099 1.00 0.00 C ATOM 314 CG1 VAL A 20 20.313 1.371 1.411 1.00 0.00 C ATOM 315 CG2 VAL A 20 20.581 -0.759 0.136 1.00 0.00 C ATOM 0 H VAL A 20 21.141 3.072 -0.469 1.00 0.00 H new ATOM 0 HA VAL A 20 20.133 0.748 -1.976 1.00 0.00 H new ATOM 0 HB VAL A 20 21.865 0.966 -0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 20 20.868 0.941 2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 20 20.471 2.449 1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 20 19.250 1.163 1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 20 21.133 -1.187 0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 20 19.518 -0.968 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 20 20.933 -1.201 -0.796 1.00 0.00 H new ATOM 325 N GLU A 21 18.084 2.517 -0.198 1.00 0.00 N ATOM 326 CA GLU A 21 16.635 2.644 0.128 1.00 0.00 C ATOM 327 C GLU A 21 15.838 2.914 -1.149 1.00 0.00 C ATOM 328 O GLU A 21 14.671 2.593 -1.245 1.00 0.00 O ATOM 329 CB GLU A 21 16.543 3.834 1.083 1.00 0.00 C ATOM 330 CG GLU A 21 16.159 3.341 2.479 1.00 0.00 C ATOM 331 CD GLU A 21 14.658 3.046 2.523 1.00 0.00 C ATOM 332 OE1 GLU A 21 14.127 2.629 1.507 1.00 0.00 O ATOM 333 OE2 GLU A 21 14.066 3.244 3.571 1.00 0.00 O ATOM 0 H GLU A 21 18.657 3.324 0.047 1.00 0.00 H new ATOM 0 HA GLU A 21 16.228 1.737 0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.498 4.358 1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.802 4.547 0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 21 16.724 2.442 2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.414 4.094 3.225 1.00 0.00 H new ATOM 340 N GLN A 22 16.466 3.495 -2.134 1.00 0.00 N ATOM 341 CA GLN A 22 15.748 3.775 -3.411 1.00 0.00 C ATOM 342 C GLN A 22 15.584 2.477 -4.198 1.00 0.00 C ATOM 343 O GLN A 22 14.535 2.188 -4.736 1.00 0.00 O ATOM 344 CB GLN A 22 16.643 4.754 -4.172 1.00 0.00 C ATOM 345 CG GLN A 22 15.809 5.513 -5.205 1.00 0.00 C ATOM 346 CD GLN A 22 15.919 7.016 -4.947 1.00 0.00 C ATOM 347 OE1 GLN A 22 16.951 7.611 -5.189 1.00 0.00 O ATOM 348 NE2 GLN A 22 14.894 7.661 -4.463 1.00 0.00 N ATOM 0 H GLN A 22 17.443 3.788 -2.111 1.00 0.00 H new ATOM 0 HA GLN A 22 14.752 4.188 -3.248 1.00 0.00 H new ATOM 0 HB2 GLN A 22 17.106 5.455 -3.477 1.00 0.00 H new ATOM 0 HB3 GLN A 22 17.451 4.215 -4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.157 5.280 -6.211 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.767 5.199 -5.148 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.028 7.163 -4.260 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.959 8.664 -4.288 1.00 0.00 H new ATOM 357 N PHE A 23 16.620 1.691 -4.258 1.00 0.00 N ATOM 358 CA PHE A 23 16.537 0.403 -5.000 1.00 0.00 C ATOM 359 C PHE A 23 15.478 -0.497 -4.360 1.00 0.00 C ATOM 360 O PHE A 23 14.892 -1.341 -5.009 1.00 0.00 O ATOM 361 CB PHE A 23 17.928 -0.223 -4.865 1.00 0.00 C ATOM 362 CG PHE A 23 18.929 0.538 -5.707 1.00 0.00 C ATOM 363 CD1 PHE A 23 18.579 1.756 -6.309 1.00 0.00 C ATOM 364 CD2 PHE A 23 20.217 0.019 -5.884 1.00 0.00 C ATOM 365 CE1 PHE A 23 19.517 2.449 -7.084 1.00 0.00 C ATOM 366 CE2 PHE A 23 21.153 0.711 -6.660 1.00 0.00 C ATOM 367 CZ PHE A 23 20.803 1.927 -7.259 1.00 0.00 C ATOM 0 H PHE A 23 17.523 1.885 -3.825 1.00 0.00 H new ATOM 0 HA PHE A 23 16.254 0.540 -6.044 1.00 0.00 H new ATOM 0 HB2 PHE A 23 18.239 -0.213 -3.820 1.00 0.00 H new ATOM 0 HB3 PHE A 23 17.897 -1.266 -5.179 1.00 0.00 H new ATOM 0 HD1 PHE A 23 17.586 2.159 -6.175 1.00 0.00 H new ATOM 0 HD2 PHE A 23 20.489 -0.918 -5.420 1.00 0.00 H new ATOM 0 HE1 PHE A 23 19.248 3.387 -7.547 1.00 0.00 H new ATOM 0 HE2 PHE A 23 22.145 0.307 -6.797 1.00 0.00 H new ATOM 0 HZ PHE A 23 21.526 2.462 -7.856 1.00 0.00 H new ATOM 377 N ILE A 24 15.225 -0.322 -3.091 1.00 0.00 N ATOM 378 CA ILE A 24 14.201 -1.165 -2.411 1.00 0.00 C ATOM 379 C ILE A 24 12.811 -0.858 -2.974 1.00 0.00 C ATOM 380 O ILE A 24 11.982 -1.734 -3.120 1.00 0.00 O ATOM 381 CB ILE A 24 14.281 -0.777 -0.935 1.00 0.00 C ATOM 382 CG1 ILE A 24 15.531 -1.402 -0.312 1.00 0.00 C ATOM 383 CG2 ILE A 24 13.038 -1.287 -0.204 1.00 0.00 C ATOM 384 CD1 ILE A 24 15.649 -0.963 1.148 1.00 0.00 C ATOM 0 H ILE A 24 15.683 0.368 -2.496 1.00 0.00 H new ATOM 0 HA ILE A 24 14.377 -2.230 -2.559 1.00 0.00 H new ATOM 0 HB ILE A 24 14.333 0.308 -0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 24 15.475 -2.489 -0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 24 16.418 -1.097 -0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 24 13.096 -1.010 0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 24 12.147 -0.843 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.984 -2.372 -0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 24 16.540 -1.409 1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 24 15.724 0.123 1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 24 14.767 -1.290 1.699 1.00 0.00 H new ATOM 396 N SER A 25 12.551 0.381 -3.294 1.00 0.00 N ATOM 397 CA SER A 25 11.215 0.741 -3.849 1.00 0.00 C ATOM 398 C SER A 25 11.036 0.116 -5.234 1.00 0.00 C ATOM 399 O SER A 25 9.934 -0.154 -5.668 1.00 0.00 O ATOM 400 CB SER A 25 11.223 2.266 -3.944 1.00 0.00 C ATOM 401 OG SER A 25 9.973 2.712 -4.454 1.00 0.00 O ATOM 0 H SER A 25 13.205 1.158 -3.195 1.00 0.00 H new ATOM 0 HA SER A 25 10.396 0.378 -3.228 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.404 2.702 -2.962 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.033 2.597 -4.594 1.00 0.00 H new ATOM 0 HG SER A 25 9.975 3.690 -4.515 1.00 0.00 H new ATOM 407 N ARG A 26 12.114 -0.116 -5.931 1.00 0.00 N ATOM 408 CA ARG A 26 12.009 -0.725 -7.288 1.00 0.00 C ATOM 409 C ARG A 26 12.119 -2.249 -7.189 1.00 0.00 C ATOM 410 O ARG A 26 11.628 -2.973 -8.031 1.00 0.00 O ATOM 411 CB ARG A 26 13.188 -0.150 -8.073 1.00 0.00 C ATOM 412 CG ARG A 26 12.837 1.253 -8.568 1.00 0.00 C ATOM 413 CD ARG A 26 14.100 1.941 -9.093 1.00 0.00 C ATOM 414 NE ARG A 26 13.664 3.317 -9.458 1.00 0.00 N ATOM 415 CZ ARG A 26 14.503 4.138 -10.030 1.00 0.00 C ATOM 416 NH1 ARG A 26 15.570 3.673 -10.619 1.00 0.00 N ATOM 417 NH2 ARG A 26 14.275 5.422 -10.011 1.00 0.00 N ATOM 0 H ARG A 26 13.063 0.090 -5.620 1.00 0.00 H new ATOM 0 HA ARG A 26 11.056 -0.505 -7.769 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.075 -0.113 -7.441 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.425 -0.796 -8.918 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.087 1.195 -9.357 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.402 1.838 -7.758 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.882 1.963 -8.334 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.507 1.414 -9.956 1.00 0.00 H new ATOM 0 HE ARG A 26 12.710 3.618 -9.261 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.748 2.669 -10.633 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.226 4.314 -11.066 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.441 5.785 -9.549 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.931 6.063 -10.458 1.00 0.00 H new ATOM 431 N PHE A 27 12.760 -2.740 -6.163 1.00 0.00 N ATOM 432 CA PHE A 27 12.902 -4.216 -6.009 1.00 0.00 C ATOM 433 C PHE A 27 11.562 -4.833 -5.599 1.00 0.00 C ATOM 434 O PHE A 27 11.376 -6.032 -5.659 1.00 0.00 O ATOM 435 CB PHE A 27 13.939 -4.401 -4.900 1.00 0.00 C ATOM 436 CG PHE A 27 14.973 -5.388 -5.341 1.00 0.00 C ATOM 437 CD1 PHE A 27 16.109 -4.944 -6.010 1.00 0.00 C ATOM 438 CD2 PHE A 27 14.792 -6.741 -5.076 1.00 0.00 C ATOM 439 CE1 PHE A 27 17.080 -5.863 -6.425 1.00 0.00 C ATOM 440 CE2 PHE A 27 15.759 -7.669 -5.485 1.00 0.00 C ATOM 441 CZ PHE A 27 16.904 -7.229 -6.162 1.00 0.00 C ATOM 0 H PHE A 27 13.191 -2.183 -5.425 1.00 0.00 H new ATOM 0 HA PHE A 27 13.207 -4.702 -6.936 1.00 0.00 H new ATOM 0 HB2 PHE A 27 14.410 -3.446 -4.665 1.00 0.00 H new ATOM 0 HB3 PHE A 27 13.454 -4.750 -3.989 1.00 0.00 H new ATOM 0 HD1 PHE A 27 16.242 -3.891 -6.209 1.00 0.00 H new ATOM 0 HD2 PHE A 27 13.907 -7.076 -4.556 1.00 0.00 H new ATOM 0 HE1 PHE A 27 17.962 -5.521 -6.946 1.00 0.00 H new ATOM 0 HE2 PHE A 27 15.622 -8.720 -5.279 1.00 0.00 H new ATOM 0 HZ PHE A 27 17.650 -7.941 -6.481 1.00 0.00 H new ATOM 451 N ASN A 28 10.628 -4.021 -5.184 1.00 0.00 N ATOM 452 CA ASN A 28 9.299 -4.559 -4.771 1.00 0.00 C ATOM 453 C ASN A 28 8.669 -5.355 -5.919 1.00 0.00 C ATOM 454 O ASN A 28 7.847 -4.852 -6.657 1.00 0.00 O ATOM 455 CB ASN A 28 8.457 -3.325 -4.449 1.00 0.00 C ATOM 456 CG ASN A 28 6.990 -3.730 -4.300 1.00 0.00 C ATOM 457 OD1 ASN A 28 6.243 -3.714 -5.258 1.00 0.00 O ATOM 458 ND2 ASN A 28 6.542 -4.094 -3.129 1.00 0.00 N ATOM 0 H ASN A 28 10.727 -3.008 -5.113 1.00 0.00 H new ATOM 0 HA ASN A 28 9.373 -5.236 -3.920 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.812 -2.860 -3.529 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.562 -2.584 -5.241 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.565 -4.365 -3.018 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.169 -4.107 -2.325 1.00 0.00 H new ATOM 465 N SER A 29 9.051 -6.593 -6.073 1.00 0.00 N ATOM 466 CA SER A 29 8.474 -7.422 -7.170 1.00 0.00 C ATOM 467 C SER A 29 7.772 -8.649 -6.586 1.00 0.00 C ATOM 468 O SER A 29 6.769 -9.106 -7.099 1.00 0.00 O ATOM 469 CB SER A 29 9.671 -7.842 -8.022 1.00 0.00 C ATOM 470 OG SER A 29 9.848 -6.906 -9.076 1.00 0.00 O ATOM 0 H SER A 29 9.738 -7.067 -5.487 1.00 0.00 H new ATOM 0 HA SER A 29 7.732 -6.878 -7.754 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.570 -7.890 -7.408 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.510 -8.840 -8.430 1.00 0.00 H new ATOM 0 HG SER A 29 10.616 -7.171 -9.624 1.00 0.00 H new ATOM 476 N GLY A 30 8.288 -9.185 -5.514 1.00 0.00 N ATOM 477 CA GLY A 30 7.645 -10.379 -4.897 1.00 0.00 C ATOM 478 C GLY A 30 6.378 -9.947 -4.175 1.00 0.00 C ATOM 479 O GLY A 30 5.410 -10.676 -4.095 1.00 0.00 O ATOM 0 H GLY A 30 9.126 -8.848 -5.039 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.408 -11.116 -5.664 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.332 -10.856 -4.198 1.00 0.00 H new ATOM 483 N TYR A 31 6.377 -8.756 -3.660 1.00 0.00 N ATOM 484 CA TYR A 31 5.174 -8.250 -2.951 1.00 0.00 C ATOM 485 C TYR A 31 4.027 -8.065 -3.953 1.00 0.00 C ATOM 486 O TYR A 31 2.913 -7.749 -3.587 1.00 0.00 O ATOM 487 CB TYR A 31 5.611 -6.904 -2.368 1.00 0.00 C ATOM 488 CG TYR A 31 4.540 -6.335 -1.458 1.00 0.00 C ATOM 489 CD1 TYR A 31 3.386 -7.073 -1.151 1.00 0.00 C ATOM 490 CD2 TYR A 31 4.711 -5.055 -0.919 1.00 0.00 C ATOM 491 CE1 TYR A 31 2.411 -6.527 -0.308 1.00 0.00 C ATOM 492 CE2 TYR A 31 3.735 -4.511 -0.076 1.00 0.00 C ATOM 493 CZ TYR A 31 2.586 -5.247 0.229 1.00 0.00 C ATOM 494 OH TYR A 31 1.623 -4.710 1.061 1.00 0.00 O ATOM 0 H TYR A 31 7.162 -8.106 -3.699 1.00 0.00 H new ATOM 0 HA TYR A 31 4.815 -8.930 -2.178 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.539 -7.029 -1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.817 -6.203 -3.177 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.251 -8.061 -1.565 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.598 -4.486 -1.154 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.523 -7.094 -0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.869 -3.523 0.339 1.00 0.00 H new ATOM 0 HH TYR A 31 1.900 -3.815 1.347 1.00 0.00 H new ATOM 504 N ILE A 32 4.293 -8.263 -5.219 1.00 0.00 N ATOM 505 CA ILE A 32 3.216 -8.101 -6.237 1.00 0.00 C ATOM 506 C ILE A 32 2.308 -9.335 -6.230 1.00 0.00 C ATOM 507 O ILE A 32 1.165 -9.280 -6.637 1.00 0.00 O ATOM 508 CB ILE A 32 3.949 -7.969 -7.574 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.469 -6.538 -7.728 1.00 0.00 C ATOM 510 CG2 ILE A 32 2.991 -8.285 -8.725 1.00 0.00 C ATOM 511 CD1 ILE A 32 5.323 -6.169 -6.514 1.00 0.00 C ATOM 0 H ILE A 32 5.206 -8.529 -5.589 1.00 0.00 H new ATOM 0 HA ILE A 32 2.581 -7.237 -6.043 1.00 0.00 H new ATOM 0 HB ILE A 32 4.784 -8.670 -7.597 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.059 -6.451 -8.640 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.633 -5.845 -7.822 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.518 -8.189 -9.674 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.618 -9.303 -8.618 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.154 -7.587 -8.703 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.692 -5.150 -6.625 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.719 -6.239 -5.609 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.167 -6.855 -6.441 1.00 0.00 H new ATOM 523 N LYS A 33 2.810 -10.446 -5.765 1.00 0.00 N ATOM 524 CA LYS A 33 1.978 -11.681 -5.727 1.00 0.00 C ATOM 525 C LYS A 33 0.857 -11.525 -4.697 1.00 0.00 C ATOM 526 O LYS A 33 -0.233 -12.037 -4.868 1.00 0.00 O ATOM 527 CB LYS A 33 2.939 -12.795 -5.310 1.00 0.00 C ATOM 528 CG LYS A 33 2.179 -14.120 -5.223 1.00 0.00 C ATOM 529 CD LYS A 33 2.575 -14.853 -3.940 1.00 0.00 C ATOM 530 CE LYS A 33 3.517 -16.009 -4.283 1.00 0.00 C ATOM 531 NZ LYS A 33 4.888 -15.445 -4.130 1.00 0.00 N ATOM 0 H LYS A 33 3.760 -10.552 -5.410 1.00 0.00 H new ATOM 0 HA LYS A 33 1.504 -11.892 -6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.752 -12.877 -6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.390 -12.559 -4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.105 -13.936 -5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.404 -14.738 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.063 -14.164 -3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.686 -15.232 -3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.362 -16.857 -3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.349 -16.368 -5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.592 -16.179 -4.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.009 -14.644 -4.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.022 -15.118 -3.152 1.00 0.00 H new ATOM 545 N ALA A 34 1.113 -10.820 -3.629 1.00 0.00 N ATOM 546 CA ALA A 34 0.060 -10.630 -2.591 1.00 0.00 C ATOM 547 C ALA A 34 -1.145 -9.903 -3.193 1.00 0.00 C ATOM 548 O ALA A 34 -2.276 -10.134 -2.812 1.00 0.00 O ATOM 549 CB ALA A 34 0.717 -9.776 -1.508 1.00 0.00 C ATOM 0 H ALA A 34 2.005 -10.368 -3.430 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.305 -11.577 -2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.002 -9.592 -0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.585 -10.300 -1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.034 -8.825 -1.937 1.00 0.00 H new ATOM 555 N SER A 35 -0.912 -9.029 -4.132 1.00 0.00 N ATOM 556 CA SER A 35 -2.045 -8.292 -4.759 1.00 0.00 C ATOM 557 C SER A 35 -2.982 -9.276 -5.459 1.00 0.00 C ATOM 558 O SER A 35 -4.189 -9.155 -5.395 1.00 0.00 O ATOM 559 CB SER A 35 -1.397 -7.350 -5.773 1.00 0.00 C ATOM 560 OG SER A 35 -2.227 -6.209 -5.951 1.00 0.00 O ATOM 0 H SER A 35 0.013 -8.793 -4.492 1.00 0.00 H new ATOM 0 HA SER A 35 -2.642 -7.747 -4.027 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.410 -7.045 -5.425 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.255 -7.863 -6.724 1.00 0.00 H new ATOM 0 HG SER A 35 -1.814 -5.602 -6.600 1.00 0.00 H new ATOM 566 N GLN A 36 -2.432 -10.256 -6.118 1.00 0.00 N ATOM 567 CA GLN A 36 -3.290 -11.258 -6.811 1.00 0.00 C ATOM 568 C GLN A 36 -4.075 -12.055 -5.773 1.00 0.00 C ATOM 569 O GLN A 36 -5.268 -12.254 -5.891 1.00 0.00 O ATOM 570 CB GLN A 36 -2.320 -12.173 -7.562 1.00 0.00 C ATOM 571 CG GLN A 36 -3.082 -12.956 -8.632 1.00 0.00 C ATOM 572 CD GLN A 36 -2.885 -12.287 -9.993 1.00 0.00 C ATOM 573 OE1 GLN A 36 -1.771 -12.141 -10.456 1.00 0.00 O ATOM 574 NE2 GLN A 36 -3.926 -11.870 -10.659 1.00 0.00 N ATOM 0 H GLN A 36 -1.427 -10.407 -6.207 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.009 -10.795 -7.487 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.529 -11.582 -8.023 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.839 -12.861 -6.866 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.726 -13.986 -8.666 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.143 -12.993 -8.384 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.862 -11.992 -10.272 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.804 -11.422 -11.567 1.00 0.00 H new ATOM 583 N GLU A 37 -3.406 -12.502 -4.751 1.00 0.00 N ATOM 584 CA GLU A 37 -4.096 -13.282 -3.685 1.00 0.00 C ATOM 585 C GLU A 37 -5.247 -12.461 -3.099 1.00 0.00 C ATOM 586 O GLU A 37 -6.238 -12.999 -2.646 1.00 0.00 O ATOM 587 CB GLU A 37 -3.022 -13.537 -2.626 1.00 0.00 C ATOM 588 CG GLU A 37 -2.032 -14.582 -3.144 1.00 0.00 C ATOM 589 CD GLU A 37 -2.539 -15.983 -2.798 1.00 0.00 C ATOM 590 OE1 GLU A 37 -3.489 -16.420 -3.427 1.00 0.00 O ATOM 591 OE2 GLU A 37 -1.969 -16.594 -1.910 1.00 0.00 O ATOM 0 H GLU A 37 -2.406 -12.361 -4.605 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.526 -14.211 -4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.499 -12.610 -2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.483 -13.884 -1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.914 -14.483 -4.223 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.050 -14.419 -2.700 1.00 0.00 H new ATOM 598 N LEU A 38 -5.124 -11.162 -3.108 1.00 0.00 N ATOM 599 CA LEU A 38 -6.214 -10.308 -2.554 1.00 0.00 C ATOM 600 C LEU A 38 -7.422 -10.330 -3.492 1.00 0.00 C ATOM 601 O LEU A 38 -8.555 -10.229 -3.065 1.00 0.00 O ATOM 602 CB LEU A 38 -5.618 -8.901 -2.477 1.00 0.00 C ATOM 603 CG LEU A 38 -5.177 -8.612 -1.042 1.00 0.00 C ATOM 604 CD1 LEU A 38 -6.411 -8.458 -0.149 1.00 0.00 C ATOM 605 CD2 LEU A 38 -4.320 -9.771 -0.529 1.00 0.00 C ATOM 0 H LEU A 38 -4.318 -10.655 -3.474 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.559 -10.655 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.768 -8.817 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.355 -8.164 -2.798 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.595 -7.691 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.096 -8.252 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.023 -7.633 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.993 -9.379 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.005 -9.566 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.903 -10.692 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.441 -9.882 -1.164 1.00 0.00 H new ATOM 617 N VAL A 39 -7.188 -10.466 -4.768 1.00 0.00 N ATOM 618 CA VAL A 39 -8.323 -10.501 -5.733 1.00 0.00 C ATOM 619 C VAL A 39 -9.139 -11.779 -5.531 1.00 0.00 C ATOM 620 O VAL A 39 -10.323 -11.820 -5.796 1.00 0.00 O ATOM 621 CB VAL A 39 -7.671 -10.492 -7.115 1.00 0.00 C ATOM 622 CG1 VAL A 39 -8.723 -10.164 -8.175 1.00 0.00 C ATOM 623 CG2 VAL A 39 -6.566 -9.433 -7.149 1.00 0.00 C ATOM 0 H VAL A 39 -6.261 -10.554 -5.184 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.005 -9.661 -5.603 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.243 -11.473 -7.321 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.257 -10.158 -9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -9.511 -10.917 -8.151 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.152 -9.183 -7.970 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.100 -9.425 -8.134 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.995 -8.453 -6.943 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.815 -9.666 -6.394 1.00 0.00 H new ATOM 633 N SER A 40 -8.513 -12.822 -5.059 1.00 0.00 N ATOM 634 CA SER A 40 -9.252 -14.096 -4.834 1.00 0.00 C ATOM 635 C SER A 40 -10.269 -13.916 -3.704 1.00 0.00 C ATOM 636 O SER A 40 -11.272 -14.598 -3.642 1.00 0.00 O ATOM 637 CB SER A 40 -8.183 -15.112 -4.438 1.00 0.00 C ATOM 638 OG SER A 40 -8.602 -16.412 -4.830 1.00 0.00 O ATOM 0 H SER A 40 -7.522 -12.847 -4.820 1.00 0.00 H new ATOM 0 HA SER A 40 -9.806 -14.416 -5.716 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.235 -14.864 -4.915 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.016 -15.080 -3.361 1.00 0.00 H new ATOM 0 HG SER A 40 -7.917 -17.066 -4.579 1.00 0.00 H new ATOM 644 N TYR A 41 -10.017 -12.998 -2.811 1.00 0.00 N ATOM 645 CA TYR A 41 -10.969 -12.771 -1.687 1.00 0.00 C ATOM 646 C TYR A 41 -12.290 -12.214 -2.223 1.00 0.00 C ATOM 647 O TYR A 41 -13.341 -12.418 -1.648 1.00 0.00 O ATOM 648 CB TYR A 41 -10.279 -11.746 -0.786 1.00 0.00 C ATOM 649 CG TYR A 41 -11.196 -11.381 0.356 1.00 0.00 C ATOM 650 CD1 TYR A 41 -12.244 -10.475 0.151 1.00 0.00 C ATOM 651 CD2 TYR A 41 -10.998 -11.947 1.621 1.00 0.00 C ATOM 652 CE1 TYR A 41 -13.094 -10.137 1.209 1.00 0.00 C ATOM 653 CE2 TYR A 41 -11.849 -11.609 2.680 1.00 0.00 C ATOM 654 CZ TYR A 41 -12.897 -10.704 2.475 1.00 0.00 C ATOM 655 OH TYR A 41 -13.736 -10.370 3.518 1.00 0.00 O ATOM 0 H TYR A 41 -9.194 -12.396 -2.811 1.00 0.00 H new ATOM 0 HA TYR A 41 -11.205 -13.690 -1.150 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -9.345 -12.155 -0.400 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -10.023 -10.855 -1.360 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -12.396 -10.037 -0.824 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.189 -12.644 1.780 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -13.902 -9.439 1.050 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.697 -12.047 3.656 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.462 -10.852 4.326 1.00 0.00 H new ATOM 665 N THR A 42 -12.244 -11.510 -3.321 1.00 0.00 N ATOM 666 CA THR A 42 -13.496 -10.939 -3.895 1.00 0.00 C ATOM 667 C THR A 42 -13.979 -11.789 -5.072 1.00 0.00 C ATOM 668 O THR A 42 -15.142 -12.121 -5.174 1.00 0.00 O ATOM 669 CB THR A 42 -13.113 -9.536 -4.366 1.00 0.00 C ATOM 670 OG1 THR A 42 -12.988 -8.679 -3.239 1.00 0.00 O ATOM 671 CG2 THR A 42 -14.196 -8.996 -5.301 1.00 0.00 C ATOM 0 H THR A 42 -11.394 -11.305 -3.846 1.00 0.00 H new ATOM 0 HA THR A 42 -14.309 -10.917 -3.169 1.00 0.00 H new ATOM 0 HB THR A 42 -12.164 -9.578 -4.900 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.741 -7.779 -3.538 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.922 -7.996 -5.636 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.292 -9.654 -6.164 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.147 -8.953 -4.770 1.00 0.00 H new ATOM 679 N ILE A 43 -13.093 -12.143 -5.958 1.00 0.00 N ATOM 680 CA ILE A 43 -13.503 -12.972 -7.128 1.00 0.00 C ATOM 681 C ILE A 43 -14.283 -14.199 -6.650 1.00 0.00 C ATOM 682 O ILE A 43 -15.095 -14.748 -7.369 1.00 0.00 O ATOM 683 CB ILE A 43 -12.195 -13.391 -7.796 1.00 0.00 C ATOM 684 CG1 ILE A 43 -11.614 -12.204 -8.567 1.00 0.00 C ATOM 685 CG2 ILE A 43 -12.461 -14.546 -8.763 1.00 0.00 C ATOM 686 CD1 ILE A 43 -12.470 -11.931 -9.805 1.00 0.00 C ATOM 0 H ILE A 43 -12.104 -11.896 -5.925 1.00 0.00 H new ATOM 0 HA ILE A 43 -14.151 -12.429 -7.816 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.485 -13.713 -7.034 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.586 -11.321 -7.929 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.586 -12.416 -8.862 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.527 -14.844 -9.239 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -12.875 -15.392 -8.214 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.171 -14.226 -9.526 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -12.056 -11.085 -10.354 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.475 -12.813 -10.446 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -13.490 -11.700 -9.498 1.00 0.00 H new ATOM 698 N LYS A 44 -14.044 -14.630 -5.443 1.00 0.00 N ATOM 699 CA LYS A 44 -14.772 -15.821 -4.919 1.00 0.00 C ATOM 700 C LYS A 44 -15.883 -15.383 -3.966 1.00 0.00 C ATOM 701 O LYS A 44 -16.362 -16.151 -3.154 1.00 0.00 O ATOM 702 CB LYS A 44 -13.718 -16.635 -4.174 1.00 0.00 C ATOM 703 CG LYS A 44 -12.789 -17.316 -5.182 1.00 0.00 C ATOM 704 CD LYS A 44 -13.166 -18.793 -5.309 1.00 0.00 C ATOM 705 CE LYS A 44 -12.462 -19.397 -6.526 1.00 0.00 C ATOM 706 NZ LYS A 44 -13.487 -20.266 -7.170 1.00 0.00 N ATOM 0 H LYS A 44 -13.376 -14.210 -4.796 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.244 -16.398 -5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.142 -15.986 -3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.200 -17.383 -3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.866 -16.826 -6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.752 -17.221 -4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.879 -19.331 -4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.246 -18.896 -5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.117 -18.620 -7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.585 -19.973 -6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.079 -20.717 -8.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.791 -21.000 -6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.307 -19.689 -7.447 1.00 0.00 H new ATOM 779 N PRO A 49 -22.117 -22.550 -3.982 1.00 0.00 N ATOM 780 CA PRO A 49 -22.286 -23.884 -4.600 1.00 0.00 C ATOM 781 C PRO A 49 -23.546 -24.563 -4.060 1.00 0.00 C ATOM 782 O PRO A 49 -24.235 -25.270 -4.767 1.00 0.00 O ATOM 783 CB PRO A 49 -21.032 -24.637 -4.165 1.00 0.00 C ATOM 784 CG PRO A 49 -20.585 -23.956 -2.908 1.00 0.00 C ATOM 785 CD PRO A 49 -21.047 -22.524 -2.991 1.00 0.00 C ATOM 0 HA PRO A 49 -22.401 -23.847 -5.683 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -21.246 -25.691 -3.988 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -20.260 -24.594 -4.933 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -21.009 -24.447 -2.032 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -19.501 -24.006 -2.808 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -21.406 -22.165 -2.027 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.237 -21.861 -3.296 1.00 0.00 H new ATOM 793 N ILE A 50 -23.850 -24.348 -2.812 1.00 0.00 N ATOM 794 CA ILE A 50 -25.066 -24.976 -2.222 1.00 0.00 C ATOM 795 C ILE A 50 -26.324 -24.332 -2.804 1.00 0.00 C ATOM 796 O ILE A 50 -27.323 -24.986 -3.031 1.00 0.00 O ATOM 797 CB ILE A 50 -24.967 -24.705 -0.723 1.00 0.00 C ATOM 798 CG1 ILE A 50 -23.563 -25.066 -0.231 1.00 0.00 C ATOM 799 CG2 ILE A 50 -26.000 -25.554 0.020 1.00 0.00 C ATOM 800 CD1 ILE A 50 -22.938 -23.856 0.465 1.00 0.00 C ATOM 0 H ILE A 50 -23.310 -23.764 -2.174 1.00 0.00 H new ATOM 0 HA ILE A 50 -25.126 -26.043 -2.437 1.00 0.00 H new ATOM 0 HB ILE A 50 -25.160 -23.649 -0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -23.613 -25.909 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -22.941 -25.377 -1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -25.929 -25.360 1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -27.000 -25.298 -0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -25.808 -26.610 -0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -21.938 -24.114 0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -22.873 -23.025 -0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -23.556 -23.565 1.314 1.00 0.00 H new ATOM 812 N GLU A 51 -26.281 -23.053 -3.052 1.00 0.00 N ATOM 813 CA GLU A 51 -27.472 -22.364 -3.625 1.00 0.00 C ATOM 814 C GLU A 51 -27.571 -22.655 -5.124 1.00 0.00 C ATOM 815 O GLU A 51 -28.636 -22.617 -5.705 1.00 0.00 O ATOM 816 CB GLU A 51 -27.225 -20.875 -3.381 1.00 0.00 C ATOM 817 CG GLU A 51 -27.789 -20.480 -2.014 1.00 0.00 C ATOM 818 CD GLU A 51 -29.053 -19.641 -2.207 1.00 0.00 C ATOM 819 OE1 GLU A 51 -29.813 -19.948 -3.110 1.00 0.00 O ATOM 820 OE2 GLU A 51 -29.239 -18.703 -1.448 1.00 0.00 O ATOM 0 H GLU A 51 -25.473 -22.454 -2.883 1.00 0.00 H new ATOM 0 HA GLU A 51 -28.405 -22.699 -3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -26.157 -20.662 -3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -27.698 -20.284 -4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -28.017 -21.372 -1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -27.046 -19.914 -1.452 1.00 0.00 H new ATOM 827 N TYR A 52 -26.464 -22.946 -5.753 1.00 0.00 N ATOM 828 CA TYR A 52 -26.493 -23.241 -7.214 1.00 0.00 C ATOM 829 C TYR A 52 -26.814 -24.719 -7.450 1.00 0.00 C ATOM 830 O TYR A 52 -27.314 -25.096 -8.491 1.00 0.00 O ATOM 831 CB TYR A 52 -25.084 -22.911 -7.711 1.00 0.00 C ATOM 832 CG TYR A 52 -25.063 -21.509 -8.270 1.00 0.00 C ATOM 833 CD1 TYR A 52 -25.154 -20.410 -7.407 1.00 0.00 C ATOM 834 CD2 TYR A 52 -24.950 -21.307 -9.650 1.00 0.00 C ATOM 835 CE1 TYR A 52 -25.135 -19.110 -7.925 1.00 0.00 C ATOM 836 CE2 TYR A 52 -24.930 -20.007 -10.169 1.00 0.00 C ATOM 837 CZ TYR A 52 -25.022 -18.908 -9.306 1.00 0.00 C ATOM 838 OH TYR A 52 -25.002 -17.626 -9.817 1.00 0.00 O ATOM 0 H TYR A 52 -25.542 -22.992 -5.319 1.00 0.00 H new ATOM 0 HA TYR A 52 -27.256 -22.665 -7.737 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -24.369 -22.999 -6.893 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -24.781 -23.624 -8.478 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -25.239 -20.566 -6.342 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -24.878 -22.155 -10.315 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -25.208 -18.262 -7.260 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -24.844 -19.852 -11.234 1.00 0.00 H new ATOM 0 HH TYR A 52 -24.918 -17.664 -10.793 1.00 0.00 H new ATOM 848 N LEU A 53 -26.531 -25.560 -6.492 1.00 0.00 N ATOM 849 CA LEU A 53 -26.824 -27.012 -6.667 1.00 0.00 C ATOM 850 C LEU A 53 -28.260 -27.316 -6.237 1.00 0.00 C ATOM 851 O LEU A 53 -28.898 -28.209 -6.759 1.00 0.00 O ATOM 852 CB LEU A 53 -25.828 -27.731 -5.756 1.00 0.00 C ATOM 853 CG LEU A 53 -25.296 -28.977 -6.464 1.00 0.00 C ATOM 854 CD1 LEU A 53 -26.449 -29.948 -6.724 1.00 0.00 C ATOM 855 CD2 LEU A 53 -24.661 -28.573 -7.797 1.00 0.00 C ATOM 0 H LEU A 53 -26.111 -25.306 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 53 -26.729 -27.330 -7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -25.004 -27.064 -5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -26.311 -28.010 -4.820 1.00 0.00 H new ATOM 0 HG LEU A 53 -24.548 -29.461 -5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -26.070 -30.836 -7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -26.903 -30.236 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -27.197 -29.465 -7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -24.281 -29.461 -8.303 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -25.410 -28.090 -8.425 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -23.839 -27.880 -7.614 1.00 0.00 H new ATOM 867 N LEU A 54 -28.772 -26.583 -5.289 1.00 0.00 N ATOM 868 CA LEU A 54 -30.167 -26.830 -4.826 1.00 0.00 C ATOM 869 C LEU A 54 -31.165 -26.391 -5.898 1.00 0.00 C ATOM 870 O LEU A 54 -32.234 -26.951 -6.033 1.00 0.00 O ATOM 871 CB LEU A 54 -30.322 -25.979 -3.564 1.00 0.00 C ATOM 872 CG LEU A 54 -30.278 -26.882 -2.331 1.00 0.00 C ATOM 873 CD1 LEU A 54 -31.420 -27.899 -2.400 1.00 0.00 C ATOM 874 CD2 LEU A 54 -28.940 -27.623 -2.290 1.00 0.00 C ATOM 0 H LEU A 54 -28.285 -25.823 -4.814 1.00 0.00 H new ATOM 0 HA LEU A 54 -30.357 -27.885 -4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -29.525 -25.237 -3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -31.265 -25.433 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 54 -30.387 -26.274 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -31.388 -28.542 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -32.374 -27.373 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -31.312 -28.507 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -28.908 -28.267 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -28.833 -28.230 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -28.125 -26.901 -2.241 1.00 0.00 H new ATOM 886 N GLU A 55 -30.823 -25.393 -6.664 1.00 0.00 N ATOM 887 CA GLU A 55 -31.751 -24.920 -7.731 1.00 0.00 C ATOM 888 C GLU A 55 -31.679 -25.854 -8.939 1.00 0.00 C ATOM 889 O GLU A 55 -32.646 -26.042 -9.651 1.00 0.00 O ATOM 890 CB GLU A 55 -31.255 -23.521 -8.099 1.00 0.00 C ATOM 891 CG GLU A 55 -32.448 -22.574 -8.229 1.00 0.00 C ATOM 892 CD GLU A 55 -32.473 -21.973 -9.636 1.00 0.00 C ATOM 893 OE1 GLU A 55 -31.428 -21.539 -10.093 1.00 0.00 O ATOM 894 OE2 GLU A 55 -33.537 -21.957 -10.232 1.00 0.00 O ATOM 0 H GLU A 55 -29.942 -24.884 -6.598 1.00 0.00 H new ATOM 0 HA GLU A 55 -32.790 -24.906 -7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -30.568 -23.155 -7.336 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -30.701 -23.555 -9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -33.376 -23.112 -8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -32.379 -21.781 -7.485 1.00 0.00 H new ATOM 901 N GLN A 56 -30.541 -26.443 -9.174 1.00 0.00 N ATOM 902 CA GLN A 56 -30.404 -27.369 -10.334 1.00 0.00 C ATOM 903 C GLN A 56 -30.955 -28.750 -9.970 1.00 0.00 C ATOM 904 O GLN A 56 -31.269 -29.550 -10.827 1.00 0.00 O ATOM 905 CB GLN A 56 -28.902 -27.445 -10.607 1.00 0.00 C ATOM 906 CG GLN A 56 -28.667 -27.905 -12.048 1.00 0.00 C ATOM 907 CD GLN A 56 -28.704 -26.695 -12.983 1.00 0.00 C ATOM 908 OE1 GLN A 56 -27.861 -25.823 -12.902 1.00 0.00 O ATOM 909 NE2 GLN A 56 -29.654 -26.602 -13.874 1.00 0.00 N ATOM 0 H GLN A 56 -29.698 -26.324 -8.613 1.00 0.00 H new ATOM 0 HA GLN A 56 -30.958 -27.024 -11.207 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -28.443 -26.470 -10.446 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -28.430 -28.139 -9.911 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -27.704 -28.410 -12.127 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -29.430 -28.627 -12.340 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -30.362 -27.333 -13.943 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -29.688 -25.798 -14.501 1.00 0.00 H new ATOM 918 N ILE A 57 -31.078 -29.033 -8.701 1.00 0.00 N ATOM 919 CA ILE A 57 -31.612 -30.359 -8.282 1.00 0.00 C ATOM 920 C ILE A 57 -33.137 -30.279 -8.128 1.00 0.00 C ATOM 921 O ILE A 57 -33.841 -31.254 -8.306 1.00 0.00 O ATOM 922 CB ILE A 57 -30.896 -30.660 -6.952 1.00 0.00 C ATOM 923 CG1 ILE A 57 -30.207 -32.024 -7.049 1.00 0.00 C ATOM 924 CG2 ILE A 57 -31.887 -30.682 -5.788 1.00 0.00 C ATOM 925 CD1 ILE A 57 -31.236 -33.089 -7.434 1.00 0.00 C ATOM 0 H ILE A 57 -30.832 -28.403 -7.938 1.00 0.00 H new ATOM 0 HA ILE A 57 -31.431 -31.152 -9.007 1.00 0.00 H new ATOM 0 HB ILE A 57 -30.162 -29.875 -6.769 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -29.409 -31.989 -7.791 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -29.744 -32.278 -6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -31.355 -30.897 -4.861 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -32.377 -29.711 -5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -32.637 -31.454 -5.963 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -30.746 -34.060 -7.503 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -32.018 -33.130 -6.676 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -31.678 -32.836 -8.398 1.00 0.00 H new ATOM 937 N GLN A 58 -33.649 -29.124 -7.803 1.00 0.00 N ATOM 938 CA GLN A 58 -35.124 -28.981 -7.642 1.00 0.00 C ATOM 939 C GLN A 58 -35.783 -28.792 -9.010 1.00 0.00 C ATOM 940 O GLN A 58 -36.949 -29.080 -9.196 1.00 0.00 O ATOM 941 CB GLN A 58 -35.309 -27.733 -6.780 1.00 0.00 C ATOM 942 CG GLN A 58 -36.291 -28.035 -5.647 1.00 0.00 C ATOM 943 CD GLN A 58 -35.789 -29.233 -4.840 1.00 0.00 C ATOM 944 OE1 GLN A 58 -34.601 -29.384 -4.629 1.00 0.00 O ATOM 945 NE2 GLN A 58 -36.648 -30.099 -4.377 1.00 0.00 N ATOM 0 H GLN A 58 -33.110 -28.273 -7.642 1.00 0.00 H new ATOM 0 HA GLN A 58 -35.580 -29.860 -7.186 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -34.350 -27.417 -6.369 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -35.682 -26.910 -7.389 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -36.394 -27.164 -4.999 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -37.279 -28.247 -6.055 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -37.645 -29.973 -4.554 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -36.323 -30.902 -3.838 1.00 0.00 H new ATOM 954 N ASN A 59 -35.041 -28.312 -9.971 1.00 0.00 N ATOM 955 CA ASN A 59 -35.619 -28.103 -11.329 1.00 0.00 C ATOM 956 C ASN A 59 -35.474 -29.377 -12.165 1.00 0.00 C ATOM 957 O ASN A 59 -36.261 -29.643 -13.052 1.00 0.00 O ATOM 958 CB ASN A 59 -34.798 -26.966 -11.937 1.00 0.00 C ATOM 959 CG ASN A 59 -35.730 -25.991 -12.659 1.00 0.00 C ATOM 960 OD1 ASN A 59 -36.935 -26.151 -12.632 1.00 0.00 O ATOM 961 ND2 ASN A 59 -35.222 -24.981 -13.309 1.00 0.00 N ATOM 0 H ASN A 59 -34.059 -28.055 -9.874 1.00 0.00 H new ATOM 0 HA ASN A 59 -36.682 -27.865 -11.295 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -34.245 -26.445 -11.156 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -34.063 -27.367 -12.635 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -35.835 -24.326 -13.794 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -34.211 -24.846 -13.332 1.00 0.00 H new ATOM 968 N LEU A 60 -34.472 -30.165 -11.888 1.00 0.00 N ATOM 969 CA LEU A 60 -34.274 -31.421 -12.666 1.00 0.00 C ATOM 970 C LEU A 60 -35.097 -32.558 -12.055 1.00 0.00 C ATOM 971 O LEU A 60 -35.451 -33.510 -12.722 1.00 0.00 O ATOM 972 CB LEU A 60 -32.780 -31.722 -12.555 1.00 0.00 C ATOM 973 CG LEU A 60 -32.216 -32.036 -13.941 1.00 0.00 C ATOM 974 CD1 LEU A 60 -31.260 -30.922 -14.370 1.00 0.00 C ATOM 975 CD2 LEU A 60 -31.461 -33.366 -13.895 1.00 0.00 C ATOM 0 H LEU A 60 -33.782 -29.994 -11.157 1.00 0.00 H new ATOM 0 HA LEU A 60 -34.595 -31.320 -13.703 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -32.258 -30.868 -12.124 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -32.618 -32.566 -11.885 1.00 0.00 H new ATOM 0 HG LEU A 60 -33.035 -32.106 -14.657 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -30.859 -31.147 -15.358 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -31.797 -29.974 -14.404 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -30.441 -30.849 -13.654 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -31.059 -33.590 -14.883 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -30.643 -33.296 -13.178 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -32.142 -34.161 -13.592 1.00 0.00 H new