USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 750 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 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 10:sc= 0.238 USER MOD Single : A 5 SER OG : rot 180:sc= -0.139 USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= 1.27 (180deg=1.04) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 22 MET CE :methyl 157:sc= -0.36 (180deg=-1.2) USER MOD Single : A 23 GLN : amide:sc= -0.484 X(o=-0.48,f=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 34 LYS NZ :NH3+ -120:sc= 1.12 (180deg=-0.345) USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.14) USER MOD Single : B 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= -0.382 USER MOD Single : B 7 LYS NZ :NH3+ 158:sc= 1.24 (180deg=1.05) USER MOD Single : B 11 ASN : amide:sc=-0.00176 K(o=-0.0018,f=-0.8) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 20 THR OG1 : rot 180:sc= 0.00743 USER MOD Single : B 22 MET CE :methyl 158:sc= -0.699 (180deg=-1.58) USER MOD Single : B 23 GLN : amide:sc= 0.275 X(o=0.28,f=0) USER MOD Single : B 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 34 LYS NZ :NH3+ -122:sc= 1.19 (180deg=-0.22) USER MOD Single : B 41 LYS NZ :NH3+ 176:sc= 1.11 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 279 N ILE A 2 -3.435 -9.341 6.308 1.00 0.00 N ATOM 280 CA ILE A 2 -4.825 -9.654 6.467 1.00 0.00 C ATOM 281 C ILE A 2 -5.459 -9.904 5.114 1.00 0.00 C ATOM 282 O ILE A 2 -5.350 -9.079 4.199 1.00 0.00 O ATOM 283 CB ILE A 2 -5.551 -8.518 7.236 1.00 0.00 C ATOM 284 CG1 ILE A 2 -4.912 -8.364 8.629 1.00 0.00 C ATOM 285 CG2 ILE A 2 -7.056 -8.792 7.345 1.00 0.00 C ATOM 286 CD1 ILE A 2 -5.447 -7.211 9.446 1.00 0.00 C ATOM 0 HA ILE A 2 -4.922 -10.565 7.057 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.437 -7.585 6.684 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -5.063 -9.288 9.187 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.836 -8.237 8.508 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.536 -7.978 7.889 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.486 -8.864 6.346 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -7.218 -9.729 7.878 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.939 -7.181 10.410 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.271 -6.276 8.914 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.517 -7.343 9.604 1.00 0.00 H new ATOM 298 N HIS A 3 -6.053 -11.066 4.975 1.00 0.00 N ATOM 299 CA HIS A 3 -6.690 -11.442 3.760 1.00 0.00 C ATOM 300 C HIS A 3 -8.020 -10.772 3.613 1.00 0.00 C ATOM 301 O HIS A 3 -8.876 -10.817 4.496 1.00 0.00 O ATOM 302 CB HIS A 3 -6.824 -12.963 3.616 1.00 0.00 C ATOM 303 CG HIS A 3 -5.556 -13.652 3.216 1.00 0.00 C ATOM 304 ND1 HIS A 3 -4.821 -14.485 4.035 1.00 0.00 N ATOM 305 CD2 HIS A 3 -4.925 -13.655 2.023 1.00 0.00 C ATOM 306 CE1 HIS A 3 -3.793 -14.958 3.322 1.00 0.00 C ATOM 307 NE2 HIS A 3 -3.813 -14.483 2.088 1.00 0.00 N ATOM 0 H HIS A 3 -6.102 -11.771 5.711 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.044 -11.100 2.951 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.168 -13.378 4.563 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -7.593 -13.181 2.875 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.237 -13.099 1.152 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.046 -15.638 3.704 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.149 -14.683 1.340 1.00 0.00 H new ATOM 315 N SER A 4 -8.146 -10.108 2.541 1.00 0.00 N ATOM 316 CA SER A 4 -9.342 -9.465 2.144 1.00 0.00 C ATOM 317 C SER A 4 -9.431 -9.574 0.647 1.00 0.00 C ATOM 318 O SER A 4 -8.696 -10.353 0.044 1.00 0.00 O ATOM 319 CB SER A 4 -9.342 -8.015 2.617 1.00 0.00 C ATOM 320 OG SER A 4 -9.580 -7.919 4.006 1.00 0.00 O ATOM 0 H SER A 4 -7.383 -9.986 1.875 1.00 0.00 H new ATOM 0 HA SER A 4 -10.216 -9.936 2.594 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.383 -7.555 2.379 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.106 -7.456 2.077 1.00 0.00 H new ATOM 0 HG SER A 4 -9.538 -8.812 4.408 1.00 0.00 H new ATOM 326 N SER A 5 -10.311 -8.862 0.049 1.00 0.00 N ATOM 327 CA SER A 5 -10.489 -8.921 -1.367 1.00 0.00 C ATOM 328 C SER A 5 -10.997 -7.587 -1.851 1.00 0.00 C ATOM 329 O SER A 5 -11.579 -6.821 -1.071 1.00 0.00 O ATOM 330 CB SER A 5 -11.482 -10.043 -1.723 1.00 0.00 C ATOM 331 OG SER A 5 -11.043 -11.300 -1.202 1.00 0.00 O ATOM 0 H SER A 5 -10.938 -8.213 0.525 1.00 0.00 H new ATOM 0 HA SER A 5 -9.539 -9.140 -1.854 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.467 -9.803 -1.322 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.587 -10.111 -2.806 1.00 0.00 H new ATOM 0 HG SER A 5 -11.690 -11.997 -1.439 1.00 0.00 H new ATOM 337 N VAL A 6 -10.734 -7.288 -3.093 1.00 0.00 N ATOM 338 CA VAL A 6 -11.228 -6.077 -3.701 1.00 0.00 C ATOM 339 C VAL A 6 -12.671 -6.286 -4.040 1.00 0.00 C ATOM 340 O VAL A 6 -12.998 -7.057 -4.938 1.00 0.00 O ATOM 341 CB VAL A 6 -10.446 -5.721 -4.981 1.00 0.00 C ATOM 342 CG1 VAL A 6 -10.958 -4.432 -5.598 1.00 0.00 C ATOM 343 CG2 VAL A 6 -8.991 -5.605 -4.668 1.00 0.00 C ATOM 0 H VAL A 6 -10.173 -7.873 -3.713 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.102 -5.252 -3.000 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.595 -6.519 -5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.387 -4.208 -6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.011 -4.545 -5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.844 -3.616 -4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.443 -5.353 -5.576 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.840 -4.823 -3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.627 -6.554 -4.275 1.00 0.00 H new ATOM 353 N LYS A 7 -13.527 -5.662 -3.316 1.00 0.00 N ATOM 354 CA LYS A 7 -14.911 -5.845 -3.530 1.00 0.00 C ATOM 355 C LYS A 7 -15.481 -4.615 -4.215 1.00 0.00 C ATOM 356 O LYS A 7 -14.829 -3.580 -4.284 1.00 0.00 O ATOM 357 CB LYS A 7 -15.590 -6.114 -2.207 1.00 0.00 C ATOM 358 CG LYS A 7 -15.194 -7.405 -1.516 1.00 0.00 C ATOM 359 CD LYS A 7 -15.808 -8.601 -2.206 1.00 0.00 C ATOM 360 CE LYS A 7 -15.580 -9.868 -1.410 1.00 0.00 C ATOM 361 NZ LYS A 7 -16.334 -11.011 -1.962 1.00 0.00 N ATOM 0 H LYS A 7 -13.288 -5.015 -2.564 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.086 -6.703 -4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.377 -5.283 -1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.668 -6.125 -2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.108 -7.501 -1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -15.515 -7.377 -0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -16.878 -8.439 -2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.377 -8.711 -3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.516 -10.105 -1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.877 -9.704 -0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.999 -11.892 -1.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.347 -10.888 -1.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.187 -11.059 -2.990 1.00 0.00 H new ATOM 375 N ARG A 8 -16.663 -4.727 -4.726 1.00 0.00 N ATOM 376 CA ARG A 8 -17.283 -3.651 -5.444 1.00 0.00 C ATOM 377 C ARG A 8 -18.260 -2.881 -4.557 1.00 0.00 C ATOM 378 O ARG A 8 -19.309 -3.405 -4.164 1.00 0.00 O ATOM 379 CB ARG A 8 -17.996 -4.197 -6.652 1.00 0.00 C ATOM 380 CG ARG A 8 -18.564 -3.141 -7.559 1.00 0.00 C ATOM 381 CD ARG A 8 -19.254 -3.795 -8.705 1.00 0.00 C ATOM 382 NE ARG A 8 -18.317 -4.440 -9.631 1.00 0.00 N ATOM 383 CZ ARG A 8 -18.438 -5.685 -10.135 1.00 0.00 C ATOM 384 NH1 ARG A 8 -19.439 -6.485 -9.752 1.00 0.00 N ATOM 385 NH2 ARG A 8 -17.546 -6.123 -11.022 1.00 0.00 N ATOM 0 H ARG A 8 -17.233 -5.570 -4.659 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.506 -2.956 -5.762 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.302 -4.815 -7.222 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.804 -4.849 -6.320 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -19.264 -2.512 -7.009 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.768 -2.491 -7.922 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.955 -4.539 -8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.839 -3.051 -9.245 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.502 -3.899 -9.919 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -20.123 -6.156 -9.071 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -19.519 -7.424 -10.141 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.779 -5.518 -11.315 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.630 -7.063 -11.408 1.00 0.00 H new ATOM 399 N TRP A 9 -17.906 -1.667 -4.235 1.00 0.00 N ATOM 400 CA TRP A 9 -18.738 -0.783 -3.445 1.00 0.00 C ATOM 401 C TRP A 9 -19.476 0.120 -4.409 1.00 0.00 C ATOM 402 O TRP A 9 -18.930 1.123 -4.884 1.00 0.00 O ATOM 403 CB TRP A 9 -17.856 0.029 -2.471 1.00 0.00 C ATOM 404 CG TRP A 9 -18.572 0.962 -1.527 1.00 0.00 C ATOM 405 CD1 TRP A 9 -19.902 0.997 -1.261 1.00 0.00 C ATOM 406 CD2 TRP A 9 -17.988 1.995 -0.694 1.00 0.00 C ATOM 407 NE1 TRP A 9 -20.174 1.940 -0.334 1.00 0.00 N ATOM 408 CE2 TRP A 9 -19.051 2.577 0.015 1.00 0.00 C ATOM 409 CE3 TRP A 9 -16.682 2.497 -0.466 1.00 0.00 C ATOM 410 CZ2 TRP A 9 -18.883 3.596 0.906 1.00 0.00 C ATOM 411 CZ3 TRP A 9 -16.537 3.513 0.429 1.00 0.00 C ATOM 412 CH2 TRP A 9 -17.643 4.054 1.098 1.00 0.00 C ATOM 0 H TRP A 9 -17.018 -1.252 -4.516 1.00 0.00 H new ATOM 0 HA TRP A 9 -19.455 -1.341 -2.843 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -17.270 -0.672 -1.877 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -17.150 0.616 -3.059 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -20.640 0.360 -1.726 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -21.100 2.138 0.045 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -15.829 2.087 -0.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -19.723 4.018 1.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -15.552 3.909 0.627 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -17.488 4.868 1.791 1.00 0.00 H new ATOM 423 N GLY A 10 -20.675 -0.285 -4.771 1.00 0.00 N ATOM 424 CA GLY A 10 -21.431 0.451 -5.733 1.00 0.00 C ATOM 425 C GLY A 10 -20.892 0.131 -7.089 1.00 0.00 C ATOM 426 O GLY A 10 -20.904 -1.030 -7.502 1.00 0.00 O ATOM 0 H GLY A 10 -21.137 -1.119 -4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.487 0.187 -5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.358 1.521 -5.537 1.00 0.00 H new ATOM 430 N ASN A 11 -20.395 1.113 -7.769 1.00 0.00 N ATOM 431 CA ASN A 11 -19.744 0.883 -9.044 1.00 0.00 C ATOM 432 C ASN A 11 -18.240 1.144 -8.938 1.00 0.00 C ATOM 433 O ASN A 11 -17.590 1.432 -9.938 1.00 0.00 O ATOM 434 CB ASN A 11 -20.359 1.777 -10.133 1.00 0.00 C ATOM 435 CG ASN A 11 -21.815 1.448 -10.429 1.00 0.00 C ATOM 436 OD1 ASN A 11 -22.249 0.290 -10.327 1.00 0.00 O ATOM 437 ND2 ASN A 11 -22.573 2.444 -10.789 1.00 0.00 N ATOM 0 H ASN A 11 -20.421 2.089 -7.473 1.00 0.00 H new ATOM 0 HA ASN A 11 -19.897 -0.160 -9.319 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -20.285 2.819 -9.823 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -19.777 1.675 -11.049 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -23.559 2.285 -10.998 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -22.181 3.383 -10.862 1.00 0.00 H new ATOM 444 N SER A 12 -17.656 0.986 -7.749 1.00 0.00 N ATOM 445 CA SER A 12 -16.270 1.287 -7.570 1.00 0.00 C ATOM 446 C SER A 12 -15.623 0.261 -6.639 1.00 0.00 C ATOM 447 O SER A 12 -16.190 -0.080 -5.603 1.00 0.00 O ATOM 448 CB SER A 12 -16.116 2.699 -7.010 1.00 0.00 C ATOM 449 OG SER A 12 -16.716 3.651 -7.881 1.00 0.00 O ATOM 0 H SER A 12 -18.134 0.652 -6.912 1.00 0.00 H new ATOM 0 HA SER A 12 -15.765 1.238 -8.535 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.578 2.758 -6.025 1.00 0.00 H new ATOM 0 HB3 SER A 12 -15.059 2.932 -6.881 1.00 0.00 H new ATOM 0 HG SER A 12 -16.609 4.550 -7.506 1.00 0.00 H new ATOM 455 N PRO A 13 -14.486 -0.294 -7.041 1.00 0.00 N ATOM 456 CA PRO A 13 -13.726 -1.239 -6.223 1.00 0.00 C ATOM 457 C PRO A 13 -13.235 -0.606 -4.915 1.00 0.00 C ATOM 458 O PRO A 13 -12.673 0.499 -4.907 1.00 0.00 O ATOM 459 CB PRO A 13 -12.530 -1.613 -7.107 1.00 0.00 C ATOM 460 CG PRO A 13 -12.469 -0.567 -8.154 1.00 0.00 C ATOM 461 CD PRO A 13 -13.859 -0.066 -8.344 1.00 0.00 C ATOM 0 HA PRO A 13 -14.335 -2.093 -5.926 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.607 -1.642 -6.527 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.661 -2.602 -7.547 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.804 0.243 -7.853 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.074 -0.974 -9.085 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -13.871 0.989 -8.616 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.375 -0.606 -9.138 1.00 0.00 H new ATOM 469 N ALA A 14 -13.461 -1.287 -3.828 1.00 0.00 N ATOM 470 CA ALA A 14 -13.045 -0.832 -2.539 1.00 0.00 C ATOM 471 C ALA A 14 -12.471 -1.988 -1.744 1.00 0.00 C ATOM 472 O ALA A 14 -12.916 -3.142 -1.883 1.00 0.00 O ATOM 473 CB ALA A 14 -14.211 -0.202 -1.795 1.00 0.00 C ATOM 0 H ALA A 14 -13.946 -2.184 -3.816 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.272 -0.074 -2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.876 0.139 -0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.590 0.647 -2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.004 -0.939 -1.671 1.00 0.00 H new ATOM 479 N VAL A 15 -11.470 -1.700 -0.961 1.00 0.00 N ATOM 480 CA VAL A 15 -10.860 -2.689 -0.097 1.00 0.00 C ATOM 481 C VAL A 15 -11.182 -2.344 1.349 1.00 0.00 C ATOM 482 O VAL A 15 -11.172 -1.161 1.726 1.00 0.00 O ATOM 483 CB VAL A 15 -9.309 -2.783 -0.309 1.00 0.00 C ATOM 484 CG1 VAL A 15 -8.662 -3.755 0.675 1.00 0.00 C ATOM 485 CG2 VAL A 15 -8.998 -3.226 -1.728 1.00 0.00 C ATOM 0 H VAL A 15 -11.048 -0.773 -0.899 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.270 -3.667 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.897 -1.790 -0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.587 -3.792 0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.849 -3.418 1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.087 -4.749 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.918 -3.287 -1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.442 -4.205 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.411 -2.504 -2.433 1.00 0.00 H new ATOM 495 N ARG A 16 -11.516 -3.360 2.124 1.00 0.00 N ATOM 496 CA ARG A 16 -11.839 -3.205 3.522 1.00 0.00 C ATOM 497 C ARG A 16 -10.594 -3.059 4.374 1.00 0.00 C ATOM 498 O ARG A 16 -9.650 -3.842 4.254 1.00 0.00 O ATOM 499 CB ARG A 16 -12.625 -4.403 4.025 1.00 0.00 C ATOM 500 CG ARG A 16 -14.046 -4.478 3.546 1.00 0.00 C ATOM 501 CD ARG A 16 -14.741 -5.648 4.197 1.00 0.00 C ATOM 502 NE ARG A 16 -16.184 -5.653 3.953 1.00 0.00 N ATOM 503 CZ ARG A 16 -17.057 -6.521 4.491 1.00 0.00 C ATOM 504 NH1 ARG A 16 -16.638 -7.514 5.264 1.00 0.00 N ATOM 505 NH2 ARG A 16 -18.356 -6.389 4.246 1.00 0.00 N ATOM 0 H ARG A 16 -11.570 -4.323 1.793 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.437 -2.298 3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.107 -5.312 3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.626 -4.386 5.115 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.570 -3.553 3.785 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.069 -4.586 2.462 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.310 -6.576 3.822 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.558 -5.623 5.271 1.00 0.00 H new ATOM 0 HE ARG A 16 -16.556 -4.941 3.325 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -15.642 -7.626 5.456 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.311 -8.166 5.666 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -18.688 -5.630 3.651 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -19.021 -7.046 4.653 1.00 0.00 H new ATOM 519 N ILE A 17 -10.589 -2.056 5.205 1.00 0.00 N ATOM 520 CA ILE A 17 -9.540 -1.848 6.166 1.00 0.00 C ATOM 521 C ILE A 17 -10.087 -2.198 7.550 1.00 0.00 C ATOM 522 O ILE A 17 -11.175 -1.765 7.908 1.00 0.00 O ATOM 523 CB ILE A 17 -8.980 -0.361 6.150 1.00 0.00 C ATOM 524 CG1 ILE A 17 -8.093 -0.079 4.939 1.00 0.00 C ATOM 525 CG2 ILE A 17 -8.219 0.000 7.397 1.00 0.00 C ATOM 526 CD1 ILE A 17 -8.820 0.046 3.659 1.00 0.00 C ATOM 0 H ILE A 17 -11.323 -1.349 5.236 1.00 0.00 H new ATOM 0 HA ILE A 17 -8.699 -2.491 5.906 1.00 0.00 H new ATOM 0 HB ILE A 17 -9.873 0.261 6.094 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.539 0.842 5.118 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.359 -0.880 4.848 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.864 1.028 7.322 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.874 -0.095 8.263 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.367 -0.671 7.510 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.111 0.246 2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.352 -0.882 3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.534 0.867 3.725 1.00 0.00 H new ATOM 538 N PRO A 18 -9.391 -3.046 8.313 1.00 0.00 N ATOM 539 CA PRO A 18 -9.802 -3.366 9.674 1.00 0.00 C ATOM 540 C PRO A 18 -9.707 -2.134 10.574 1.00 0.00 C ATOM 541 O PRO A 18 -8.756 -1.332 10.461 1.00 0.00 O ATOM 542 CB PRO A 18 -8.789 -4.419 10.139 1.00 0.00 C ATOM 543 CG PRO A 18 -8.107 -4.892 8.902 1.00 0.00 C ATOM 544 CD PRO A 18 -8.189 -3.778 7.903 1.00 0.00 C ATOM 0 HA PRO A 18 -10.834 -3.714 9.717 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.074 -3.992 10.842 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.287 -5.242 10.652 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.068 -5.149 9.109 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.587 -5.792 8.517 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.302 -3.145 7.933 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.276 -4.156 6.885 1.00 0.00 H new ATOM 552 N ALA A 19 -10.651 -2.002 11.489 1.00 0.00 N ATOM 553 CA ALA A 19 -10.691 -0.880 12.413 1.00 0.00 C ATOM 554 C ALA A 19 -9.461 -0.889 13.311 1.00 0.00 C ATOM 555 O ALA A 19 -9.006 0.150 13.770 1.00 0.00 O ATOM 556 CB ALA A 19 -11.968 -0.906 13.237 1.00 0.00 C ATOM 0 H ALA A 19 -11.412 -2.669 11.613 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.685 0.045 11.836 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.977 -0.058 13.921 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.831 -0.846 12.573 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.014 -1.833 13.808 1.00 0.00 H new ATOM 562 N THR A 20 -8.924 -2.068 13.541 1.00 0.00 N ATOM 563 CA THR A 20 -7.695 -2.244 14.286 1.00 0.00 C ATOM 564 C THR A 20 -6.532 -1.486 13.598 1.00 0.00 C ATOM 565 O THR A 20 -5.714 -0.850 14.247 1.00 0.00 O ATOM 566 CB THR A 20 -7.367 -3.735 14.331 1.00 0.00 C ATOM 567 OG1 THR A 20 -8.559 -4.449 14.687 1.00 0.00 O ATOM 568 CG2 THR A 20 -6.279 -4.024 15.354 1.00 0.00 C ATOM 0 H THR A 20 -9.333 -2.942 13.212 1.00 0.00 H new ATOM 0 HA THR A 20 -7.821 -1.848 15.294 1.00 0.00 H new ATOM 0 HB THR A 20 -7.004 -4.052 13.353 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.368 -5.410 14.719 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.065 -5.093 15.365 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.375 -3.476 15.089 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.616 -3.711 16.342 1.00 0.00 H new ATOM 576 N LEU A 21 -6.522 -1.514 12.275 1.00 0.00 N ATOM 577 CA LEU A 21 -5.471 -0.872 11.482 1.00 0.00 C ATOM 578 C LEU A 21 -5.654 0.593 11.447 1.00 0.00 C ATOM 579 O LEU A 21 -4.691 1.346 11.390 1.00 0.00 O ATOM 580 CB LEU A 21 -5.428 -1.431 10.081 1.00 0.00 C ATOM 581 CG LEU A 21 -4.604 -2.692 9.884 1.00 0.00 C ATOM 582 CD1 LEU A 21 -3.121 -2.352 9.925 1.00 0.00 C ATOM 583 CD2 LEU A 21 -4.908 -3.730 10.951 1.00 0.00 C ATOM 0 H LEU A 21 -7.237 -1.979 11.716 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.517 -1.087 11.964 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.450 -1.637 9.764 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.037 -0.660 9.417 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.866 -3.111 8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.535 -3.260 9.783 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.888 -1.643 9.131 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.876 -1.909 10.890 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.300 -4.618 10.778 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.679 -3.319 11.934 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.964 -3.998 10.907 1.00 0.00 H new ATOM 595 N MET A 22 -6.894 0.994 11.476 1.00 0.00 N ATOM 596 CA MET A 22 -7.230 2.419 11.601 1.00 0.00 C ATOM 597 C MET A 22 -6.549 2.973 12.829 1.00 0.00 C ATOM 598 O MET A 22 -5.900 4.005 12.787 1.00 0.00 O ATOM 599 CB MET A 22 -8.717 2.657 11.786 1.00 0.00 C ATOM 600 CG MET A 22 -9.636 2.173 10.700 1.00 0.00 C ATOM 601 SD MET A 22 -11.354 2.481 11.143 1.00 0.00 S ATOM 602 CE MET A 22 -11.348 4.267 11.292 1.00 0.00 C ATOM 0 H MET A 22 -7.699 0.371 11.416 1.00 0.00 H new ATOM 0 HA MET A 22 -6.905 2.902 10.680 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.020 2.183 12.720 1.00 0.00 H new ATOM 0 HB3 MET A 22 -8.874 3.729 11.907 1.00 0.00 H new ATOM 0 HG2 MET A 22 -9.400 2.678 9.764 1.00 0.00 H new ATOM 0 HG3 MET A 22 -9.483 1.107 10.534 1.00 0.00 H new ATOM 0 HE1 MET A 22 -12.360 4.647 11.155 1.00 0.00 H new ATOM 0 HE2 MET A 22 -10.985 4.548 12.281 1.00 0.00 H new ATOM 0 HE3 MET A 22 -10.695 4.693 10.531 1.00 0.00 H new ATOM 612 N GLN A 23 -6.679 2.232 13.900 1.00 0.00 N ATOM 613 CA GLN A 23 -6.134 2.584 15.191 1.00 0.00 C ATOM 614 C GLN A 23 -4.636 2.459 15.205 1.00 0.00 C ATOM 615 O GLN A 23 -3.956 3.133 15.972 1.00 0.00 O ATOM 616 CB GLN A 23 -6.741 1.685 16.237 1.00 0.00 C ATOM 617 CG GLN A 23 -8.231 1.801 16.281 1.00 0.00 C ATOM 618 CD GLN A 23 -8.861 0.865 17.263 1.00 0.00 C ATOM 619 OE1 GLN A 23 -9.029 1.196 18.429 1.00 0.00 O ATOM 620 NE2 GLN A 23 -9.248 -0.285 16.798 1.00 0.00 N ATOM 0 H GLN A 23 -7.180 1.343 13.900 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.378 3.625 15.405 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.464 0.651 16.031 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.329 1.937 17.214 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.503 2.825 16.537 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.635 1.603 15.288 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.087 -0.519 15.818 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.713 -0.953 17.413 1.00 0.00 H new ATOM 629 N ALA A 24 -4.122 1.614 14.349 1.00 0.00 N ATOM 630 CA ALA A 24 -2.686 1.406 14.271 1.00 0.00 C ATOM 631 C ALA A 24 -2.012 2.589 13.582 1.00 0.00 C ATOM 632 O ALA A 24 -0.840 2.885 13.817 1.00 0.00 O ATOM 633 CB ALA A 24 -2.368 0.107 13.543 1.00 0.00 C ATOM 0 H ALA A 24 -4.670 1.056 13.694 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.295 1.330 15.286 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.287 -0.029 13.496 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.816 -0.730 14.079 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.773 0.148 12.532 1.00 0.00 H new ATOM 639 N LEU A 25 -2.764 3.265 12.741 1.00 0.00 N ATOM 640 CA LEU A 25 -2.258 4.388 11.994 1.00 0.00 C ATOM 641 C LEU A 25 -2.875 5.695 12.481 1.00 0.00 C ATOM 642 O LEU A 25 -2.650 6.766 11.903 1.00 0.00 O ATOM 643 CB LEU A 25 -2.572 4.145 10.545 1.00 0.00 C ATOM 644 CG LEU A 25 -1.939 2.883 9.977 1.00 0.00 C ATOM 645 CD1 LEU A 25 -2.506 2.576 8.636 1.00 0.00 C ATOM 646 CD2 LEU A 25 -0.437 3.041 9.884 1.00 0.00 C ATOM 0 H LEU A 25 -3.744 3.049 12.558 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.181 4.482 12.135 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.653 4.083 10.424 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.235 5.002 9.962 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.162 2.054 10.649 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.043 1.671 8.244 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.582 2.425 8.722 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.309 3.407 7.959 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.000 2.130 9.476 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.199 3.881 9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.028 3.226 10.877 1.00 0.00 H new ATOM 658 N ASN A 26 -3.677 5.577 13.544 1.00 0.00 N ATOM 659 CA ASN A 26 -4.375 6.707 14.205 1.00 0.00 C ATOM 660 C ASN A 26 -5.297 7.474 13.251 1.00 0.00 C ATOM 661 O ASN A 26 -5.651 8.624 13.504 1.00 0.00 O ATOM 662 CB ASN A 26 -3.385 7.674 14.889 1.00 0.00 C ATOM 663 CG ASN A 26 -2.654 7.047 16.058 1.00 0.00 C ATOM 664 OD1 ASN A 26 -3.133 7.079 17.197 1.00 0.00 O ATOM 665 ND2 ASN A 26 -1.488 6.504 15.809 1.00 0.00 N ATOM 0 H ASN A 26 -3.869 4.678 13.986 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.003 6.257 14.974 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.656 8.018 14.155 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.927 8.554 15.237 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.946 6.090 16.567 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.123 6.495 14.857 1.00 0.00 H new ATOM 672 N LEU A 27 -5.732 6.825 12.200 1.00 0.00 N ATOM 673 CA LEU A 27 -6.558 7.450 11.230 1.00 0.00 C ATOM 674 C LEU A 27 -8.022 7.088 11.464 1.00 0.00 C ATOM 675 O LEU A 27 -8.334 6.052 12.084 1.00 0.00 O ATOM 676 CB LEU A 27 -6.056 7.108 9.812 1.00 0.00 C ATOM 677 CG LEU A 27 -6.068 5.636 9.365 1.00 0.00 C ATOM 678 CD1 LEU A 27 -7.412 5.237 8.795 1.00 0.00 C ATOM 679 CD2 LEU A 27 -4.970 5.373 8.364 1.00 0.00 C ATOM 0 H LEU A 27 -5.516 5.848 12.004 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.496 8.534 11.329 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.657 7.675 9.102 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.032 7.472 9.726 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.888 5.024 10.249 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.382 4.191 8.490 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.183 5.372 9.553 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.640 5.860 7.930 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.997 4.326 8.061 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.115 6.007 7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.004 5.595 8.817 1.00 0.00 H new ATOM 691 N ASN A 28 -8.895 7.934 10.996 1.00 0.00 N ATOM 692 CA ASN A 28 -10.331 7.801 11.210 1.00 0.00 C ATOM 693 C ASN A 28 -11.061 7.791 9.872 1.00 0.00 C ATOM 694 O ASN A 28 -10.429 7.756 8.817 1.00 0.00 O ATOM 695 CB ASN A 28 -10.832 9.000 12.035 1.00 0.00 C ATOM 696 CG ASN A 28 -10.204 9.119 13.415 1.00 0.00 C ATOM 697 OD1 ASN A 28 -9.918 8.117 14.083 1.00 0.00 O ATOM 698 ND2 ASN A 28 -9.951 10.330 13.836 1.00 0.00 N ATOM 0 H ASN A 28 -8.638 8.753 10.445 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.526 6.868 11.738 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.634 9.916 11.479 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.913 8.922 12.147 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.504 10.472 14.742 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.201 11.133 13.259 1.00 0.00 H new ATOM 705 N ILE A 29 -12.388 7.821 9.913 1.00 0.00 N ATOM 706 CA ILE A 29 -13.182 7.914 8.696 1.00 0.00 C ATOM 707 C ILE A 29 -13.113 9.353 8.212 1.00 0.00 C ATOM 708 O ILE A 29 -13.049 10.279 9.035 1.00 0.00 O ATOM 709 CB ILE A 29 -14.685 7.482 8.921 1.00 0.00 C ATOM 710 CG1 ILE A 29 -14.792 5.991 9.288 1.00 0.00 C ATOM 711 CG2 ILE A 29 -15.575 7.786 7.707 1.00 0.00 C ATOM 712 CD1 ILE A 29 -14.228 5.042 8.252 1.00 0.00 C ATOM 0 H ILE A 29 -12.934 7.782 10.773 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.776 7.228 7.953 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.049 8.080 9.756 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.274 5.825 10.233 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -15.841 5.746 9.452 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -16.597 7.469 7.916 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.562 8.857 7.505 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -15.199 7.248 6.837 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.347 4.015 8.596 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -14.761 5.173 7.310 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.169 5.254 8.103 1.00 0.00 H new ATOM 724 N ASP A 30 -13.059 9.522 6.897 1.00 0.00 N ATOM 725 CA ASP A 30 -12.968 10.821 6.230 1.00 0.00 C ATOM 726 C ASP A 30 -11.583 11.394 6.272 1.00 0.00 C ATOM 727 O ASP A 30 -11.371 12.562 5.925 1.00 0.00 O ATOM 728 CB ASP A 30 -14.026 11.849 6.686 1.00 0.00 C ATOM 729 CG ASP A 30 -15.369 11.618 6.051 1.00 0.00 C ATOM 730 OD1 ASP A 30 -15.498 11.879 4.842 1.00 0.00 O ATOM 731 OD2 ASP A 30 -16.326 11.172 6.735 1.00 0.00 O ATOM 0 H ASP A 30 -13.078 8.739 6.244 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.204 10.607 5.188 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.128 11.803 7.770 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.680 12.853 6.441 1.00 0.00 H new ATOM 736 N ASP A 31 -10.628 10.573 6.639 1.00 0.00 N ATOM 737 CA ASP A 31 -9.251 10.981 6.635 1.00 0.00 C ATOM 738 C ASP A 31 -8.784 10.783 5.234 1.00 0.00 C ATOM 739 O ASP A 31 -9.005 9.700 4.649 1.00 0.00 O ATOM 740 CB ASP A 31 -8.428 10.128 7.601 1.00 0.00 C ATOM 741 CG ASP A 31 -7.029 10.675 7.877 1.00 0.00 C ATOM 742 OD1 ASP A 31 -6.881 11.491 8.821 1.00 0.00 O ATOM 743 OD2 ASP A 31 -6.068 10.293 7.223 1.00 0.00 O ATOM 0 H ASP A 31 -10.785 9.613 6.945 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.137 12.015 6.959 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.967 10.044 8.545 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.339 9.121 7.194 1.00 0.00 H new ATOM 748 N GLU A 32 -8.255 11.808 4.662 1.00 0.00 N ATOM 749 CA GLU A 32 -7.838 11.763 3.302 1.00 0.00 C ATOM 750 C GLU A 32 -6.559 10.980 3.174 1.00 0.00 C ATOM 751 O GLU A 32 -5.697 11.025 4.056 1.00 0.00 O ATOM 752 CB GLU A 32 -7.724 13.158 2.661 1.00 0.00 C ATOM 753 CG GLU A 32 -6.755 14.125 3.330 1.00 0.00 C ATOM 754 CD GLU A 32 -7.295 14.752 4.602 1.00 0.00 C ATOM 755 OE1 GLU A 32 -7.223 14.138 5.676 1.00 0.00 O ATOM 756 OE2 GLU A 32 -7.812 15.877 4.545 1.00 0.00 O ATOM 0 H GLU A 32 -8.098 12.704 5.124 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.617 11.247 2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.422 13.034 1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.714 13.614 2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.830 13.596 3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.502 14.917 2.625 1.00 0.00 H new ATOM 763 N VAL A 33 -6.439 10.248 2.098 1.00 0.00 N ATOM 764 CA VAL A 33 -5.304 9.393 1.912 1.00 0.00 C ATOM 765 C VAL A 33 -4.769 9.491 0.512 1.00 0.00 C ATOM 766 O VAL A 33 -5.499 9.834 -0.441 1.00 0.00 O ATOM 767 CB VAL A 33 -5.548 7.878 2.297 1.00 0.00 C ATOM 768 CG1 VAL A 33 -6.222 7.744 3.617 1.00 0.00 C ATOM 769 CG2 VAL A 33 -6.344 7.134 1.265 1.00 0.00 C ATOM 0 H VAL A 33 -7.117 10.229 1.337 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.560 9.766 2.616 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.555 7.433 2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.371 6.688 3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.601 8.197 4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.188 8.248 3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.479 6.101 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.319 7.607 1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.813 7.153 0.313 1.00 0.00 H new ATOM 779 N LYS A 34 -3.506 9.224 0.413 1.00 0.00 N ATOM 780 CA LYS A 34 -2.787 9.203 -0.829 1.00 0.00 C ATOM 781 C LYS A 34 -2.551 7.777 -1.264 1.00 0.00 C ATOM 782 O LYS A 34 -1.930 6.992 -0.532 1.00 0.00 O ATOM 783 CB LYS A 34 -1.438 9.886 -0.647 1.00 0.00 C ATOM 784 CG LYS A 34 -1.484 11.405 -0.577 1.00 0.00 C ATOM 785 CD LYS A 34 -0.149 11.997 -0.097 1.00 0.00 C ATOM 786 CE LYS A 34 1.058 11.390 -0.818 1.00 0.00 C ATOM 787 NZ LYS A 34 0.986 11.539 -2.282 1.00 0.00 N ATOM 0 H LYS A 34 -2.923 9.006 1.221 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.374 9.725 -1.585 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.979 9.510 0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.788 9.596 -1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.726 11.807 -1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.282 11.713 0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.157 13.076 -0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.047 11.832 0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.969 11.865 -0.454 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.129 10.331 -0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.992 10.599 -2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.110 12.038 -2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.806 12.085 -2.616 1.00 0.00 H new ATOM 801 N ILE A 35 -3.067 7.423 -2.407 1.00 0.00 N ATOM 802 CA ILE A 35 -2.790 6.129 -2.964 1.00 0.00 C ATOM 803 C ILE A 35 -1.699 6.288 -4.014 1.00 0.00 C ATOM 804 O ILE A 35 -1.968 6.707 -5.146 1.00 0.00 O ATOM 805 CB ILE A 35 -4.043 5.409 -3.613 1.00 0.00 C ATOM 806 CG1 ILE A 35 -5.183 5.142 -2.600 1.00 0.00 C ATOM 807 CG2 ILE A 35 -3.629 4.093 -4.263 1.00 0.00 C ATOM 808 CD1 ILE A 35 -6.004 6.348 -2.213 1.00 0.00 C ATOM 0 H ILE A 35 -3.681 8.011 -2.971 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.480 5.489 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.428 6.096 -4.367 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.850 4.390 -3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.749 4.714 -1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.503 3.614 -4.703 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.892 4.288 -5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.196 3.435 -3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.774 6.051 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.357 7.097 -1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.475 6.768 -3.102 1.00 0.00 H new ATOM 820 N ASP A 36 -0.479 6.027 -3.625 1.00 0.00 N ATOM 821 CA ASP A 36 0.650 6.110 -4.539 1.00 0.00 C ATOM 822 C ASP A 36 0.991 4.732 -5.033 1.00 0.00 C ATOM 823 O ASP A 36 1.115 3.793 -4.245 1.00 0.00 O ATOM 824 CB ASP A 36 1.910 6.748 -3.888 1.00 0.00 C ATOM 825 CG ASP A 36 1.941 8.266 -3.859 1.00 0.00 C ATOM 826 OD1 ASP A 36 1.457 8.872 -2.887 1.00 0.00 O ATOM 827 OD2 ASP A 36 2.536 8.888 -4.783 1.00 0.00 O ATOM 0 H ASP A 36 -0.232 5.752 -2.674 1.00 0.00 H new ATOM 0 HA ASP A 36 0.350 6.757 -5.363 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.992 6.382 -2.865 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.791 6.395 -4.424 1.00 0.00 H new ATOM 832 N LEU A 37 1.094 4.579 -6.322 1.00 0.00 N ATOM 833 CA LEU A 37 1.486 3.378 -6.889 1.00 0.00 C ATOM 834 C LEU A 37 2.982 3.441 -7.012 1.00 0.00 C ATOM 835 O LEU A 37 3.533 4.363 -7.618 1.00 0.00 O ATOM 836 CB LEU A 37 0.813 3.242 -8.244 1.00 0.00 C ATOM 837 CG LEU A 37 0.897 1.899 -8.969 1.00 0.00 C ATOM 838 CD1 LEU A 37 2.277 1.633 -9.489 1.00 0.00 C ATOM 839 CD2 LEU A 37 0.427 0.789 -8.071 1.00 0.00 C ATOM 0 H LEU A 37 0.898 5.317 -6.998 1.00 0.00 H new ATOM 0 HA LEU A 37 1.201 2.511 -6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.242 3.484 -8.116 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.236 4.001 -8.902 1.00 0.00 H new ATOM 0 HG LEU A 37 0.236 1.944 -9.835 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.295 0.669 -9.998 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.559 2.418 -10.190 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.982 1.618 -8.658 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.493 -0.161 -8.602 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.054 0.751 -7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.607 0.971 -7.779 1.00 0.00 H new ATOM 851 N VAL A 38 3.612 2.487 -6.458 1.00 0.00 N ATOM 852 CA VAL A 38 5.071 2.450 -6.388 1.00 0.00 C ATOM 853 C VAL A 38 5.545 1.025 -6.580 1.00 0.00 C ATOM 854 O VAL A 38 5.134 0.151 -5.841 1.00 0.00 O ATOM 855 CB VAL A 38 5.618 2.979 -5.003 1.00 0.00 C ATOM 856 CG1 VAL A 38 7.141 2.981 -4.967 1.00 0.00 C ATOM 857 CG2 VAL A 38 5.094 4.369 -4.668 1.00 0.00 C ATOM 0 H VAL A 38 3.154 1.685 -6.025 1.00 0.00 H new ATOM 0 HA VAL A 38 5.451 3.102 -7.175 1.00 0.00 H new ATOM 0 HB VAL A 38 5.248 2.287 -4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.482 3.351 -4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.510 1.966 -5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.523 3.627 -5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.498 4.688 -3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.403 5.071 -5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.006 4.344 -4.614 1.00 0.00 H new ATOM 867 N ASP A 39 6.344 0.793 -7.622 1.00 0.00 N ATOM 868 CA ASP A 39 6.971 -0.531 -7.926 1.00 0.00 C ATOM 869 C ASP A 39 5.885 -1.559 -8.277 1.00 0.00 C ATOM 870 O ASP A 39 6.082 -2.779 -8.215 1.00 0.00 O ATOM 871 CB ASP A 39 7.823 -1.009 -6.721 1.00 0.00 C ATOM 872 CG ASP A 39 8.838 -2.081 -7.058 1.00 0.00 C ATOM 873 OD1 ASP A 39 9.947 -1.719 -7.507 1.00 0.00 O ATOM 874 OD2 ASP A 39 8.597 -3.277 -6.813 1.00 0.00 O ATOM 0 H ASP A 39 6.588 1.517 -8.298 1.00 0.00 H new ATOM 0 HA ASP A 39 7.632 -0.425 -8.787 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.346 -0.151 -6.298 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.155 -1.388 -5.947 1.00 0.00 H new ATOM 879 N GLY A 40 4.748 -1.047 -8.702 1.00 0.00 N ATOM 880 CA GLY A 40 3.613 -1.888 -8.992 1.00 0.00 C ATOM 881 C GLY A 40 2.994 -2.425 -7.718 1.00 0.00 C ATOM 882 O GLY A 40 2.504 -3.543 -7.677 1.00 0.00 O ATOM 0 H GLY A 40 4.589 -0.051 -8.853 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.869 -1.320 -9.551 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.924 -2.718 -9.627 1.00 0.00 H new ATOM 886 N LYS A 41 3.082 -1.654 -6.668 1.00 0.00 N ATOM 887 CA LYS A 41 2.542 -1.995 -5.395 1.00 0.00 C ATOM 888 C LYS A 41 1.697 -0.826 -4.927 1.00 0.00 C ATOM 889 O LYS A 41 2.031 0.335 -5.231 1.00 0.00 O ATOM 890 CB LYS A 41 3.725 -2.185 -4.481 1.00 0.00 C ATOM 891 CG LYS A 41 3.447 -2.573 -3.056 1.00 0.00 C ATOM 892 CD LYS A 41 4.741 -2.506 -2.264 1.00 0.00 C ATOM 893 CE LYS A 41 5.836 -3.430 -2.818 1.00 0.00 C ATOM 894 NZ LYS A 41 5.440 -4.854 -2.838 1.00 0.00 N ATOM 0 H LYS A 41 3.547 -0.746 -6.683 1.00 0.00 H new ATOM 0 HA LYS A 41 1.925 -2.893 -5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.368 -2.949 -4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.295 -1.256 -4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.705 -1.904 -2.622 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.032 -3.580 -3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.107 -1.479 -2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.539 -2.773 -1.227 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.090 -3.116 -3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.737 -3.318 -2.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.253 -5.436 -3.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.127 -5.141 -1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.662 -4.988 -3.515 1.00 0.00 H new ATOM 908 N LEU A 42 0.614 -1.100 -4.237 1.00 0.00 N ATOM 909 CA LEU A 42 -0.232 -0.039 -3.741 1.00 0.00 C ATOM 910 C LEU A 42 0.217 0.399 -2.395 1.00 0.00 C ATOM 911 O LEU A 42 0.196 -0.367 -1.418 1.00 0.00 O ATOM 912 CB LEU A 42 -1.710 -0.416 -3.726 1.00 0.00 C ATOM 913 CG LEU A 42 -2.403 -0.541 -5.077 1.00 0.00 C ATOM 914 CD1 LEU A 42 -3.679 -1.351 -4.930 1.00 0.00 C ATOM 915 CD2 LEU A 42 -2.765 0.830 -5.664 1.00 0.00 C ATOM 0 H LEU A 42 0.299 -2.043 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.134 0.794 -4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.812 -1.367 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.245 0.330 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.705 -1.037 -5.752 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.169 -1.436 -5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.437 -2.346 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.347 -0.853 -4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.257 0.695 -6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.438 1.351 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.858 1.419 -5.799 1.00 0.00 H new ATOM 927 N ILE A 43 0.639 1.604 -2.355 1.00 0.00 N ATOM 928 CA ILE A 43 1.097 2.218 -1.152 1.00 0.00 C ATOM 929 C ILE A 43 0.016 3.121 -0.647 1.00 0.00 C ATOM 930 O ILE A 43 -0.308 4.148 -1.261 1.00 0.00 O ATOM 931 CB ILE A 43 2.371 3.041 -1.383 1.00 0.00 C ATOM 932 CG1 ILE A 43 3.487 2.183 -1.979 1.00 0.00 C ATOM 933 CG2 ILE A 43 2.828 3.749 -0.106 1.00 0.00 C ATOM 934 CD1 ILE A 43 3.964 1.052 -1.095 1.00 0.00 C ATOM 0 H ILE A 43 0.680 2.213 -3.172 1.00 0.00 H new ATOM 0 HA ILE A 43 1.332 1.437 -0.429 1.00 0.00 H new ATOM 0 HB ILE A 43 2.129 3.816 -2.110 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.138 1.764 -2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.336 2.827 -2.210 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.733 4.321 -0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.043 4.423 0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.034 3.008 0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.755 0.501 -1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.348 1.459 -0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.132 0.380 -0.884 1.00 0.00 H new ATOM 946 N ILE A 44 -0.569 2.718 0.408 1.00 0.00 N ATOM 947 CA ILE A 44 -1.599 3.495 1.027 1.00 0.00 C ATOM 948 C ILE A 44 -1.040 4.215 2.233 1.00 0.00 C ATOM 949 O ILE A 44 -0.703 3.606 3.268 1.00 0.00 O ATOM 950 CB ILE A 44 -2.929 2.697 1.364 1.00 0.00 C ATOM 951 CG1 ILE A 44 -3.766 2.405 0.086 1.00 0.00 C ATOM 952 CG2 ILE A 44 -3.802 3.468 2.358 1.00 0.00 C ATOM 953 CD1 ILE A 44 -3.140 1.475 -0.928 1.00 0.00 C ATOM 0 H ILE A 44 -0.358 1.839 0.880 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.922 4.226 0.286 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.617 1.752 1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.723 1.982 0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.980 3.353 -0.407 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.705 2.896 2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.248 3.625 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.075 4.433 1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.817 1.349 -1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.198 1.899 -1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.952 0.506 -0.466 1.00 0.00 H new ATOM 965 N GLU A 45 -0.882 5.480 2.057 1.00 0.00 N ATOM 966 CA GLU A 45 -0.407 6.373 3.068 1.00 0.00 C ATOM 967 C GLU A 45 -1.546 7.284 3.451 1.00 0.00 C ATOM 968 O GLU A 45 -2.315 7.711 2.574 1.00 0.00 O ATOM 969 CB GLU A 45 0.727 7.232 2.500 1.00 0.00 C ATOM 970 CG GLU A 45 2.097 6.591 2.477 1.00 0.00 C ATOM 971 CD GLU A 45 2.723 6.583 3.841 1.00 0.00 C ATOM 972 OE1 GLU A 45 3.020 7.670 4.369 1.00 0.00 O ATOM 973 OE2 GLU A 45 2.944 5.506 4.414 1.00 0.00 O ATOM 0 H GLU A 45 -1.087 5.944 1.172 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.045 5.809 3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.464 7.518 1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.787 8.151 3.083 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.016 5.569 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.741 7.131 1.783 1.00 0.00 H new ATOM 980 N PRO A 46 -1.690 7.628 4.723 1.00 0.00 N ATOM 981 CA PRO A 46 -2.688 8.534 5.128 1.00 0.00 C ATOM 982 C PRO A 46 -2.131 9.913 4.955 1.00 0.00 C ATOM 983 O PRO A 46 -0.912 10.081 4.726 1.00 0.00 O ATOM 984 CB PRO A 46 -2.903 8.240 6.612 1.00 0.00 C ATOM 985 CG PRO A 46 -1.862 7.255 6.979 1.00 0.00 C ATOM 986 CD PRO A 46 -0.862 7.243 5.848 1.00 0.00 C ATOM 0 HA PRO A 46 -3.618 8.450 4.566 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.811 9.148 7.208 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.901 7.840 6.792 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.382 7.530 7.918 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.297 6.266 7.122 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.046 7.946 6.015 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.413 6.260 5.709 1.00 0.00 H new ATOM 994 N VAL A 47 -2.917 10.883 5.058 1.00 0.00 N ATOM 995 CA VAL A 47 -2.370 12.189 4.912 1.00 0.00 C ATOM 996 C VAL A 47 -2.340 12.853 6.237 1.00 0.00 C ATOM 997 O VAL A 47 -3.383 13.226 6.803 1.00 0.00 O ATOM 998 CB VAL A 47 -3.076 13.092 3.875 1.00 0.00 C ATOM 999 CG1 VAL A 47 -2.282 14.346 3.644 1.00 0.00 C ATOM 1000 CG2 VAL A 47 -3.255 12.395 2.568 1.00 0.00 C ATOM 0 H VAL A 47 -3.920 10.828 5.238 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.365 12.049 4.514 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.057 13.337 4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.793 14.970 2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.185 14.893 4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.291 14.086 3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.755 13.062 1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.280 12.113 2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.861 11.501 2.713 1.00 0.00 H new ATOM 1351 N ILE B 2 -3.155 9.441 -5.755 1.00 0.00 N ATOM 1352 CA ILE B 2 -4.554 9.762 -5.916 1.00 0.00 C ATOM 1353 C ILE B 2 -5.202 10.033 -4.566 1.00 0.00 C ATOM 1354 O ILE B 2 -5.132 9.201 -3.650 1.00 0.00 O ATOM 1355 CB ILE B 2 -5.278 8.602 -6.641 1.00 0.00 C ATOM 1356 CG1 ILE B 2 -4.587 8.356 -7.994 1.00 0.00 C ATOM 1357 CG2 ILE B 2 -6.767 8.918 -6.840 1.00 0.00 C ATOM 1358 CD1 ILE B 2 -5.096 7.158 -8.746 1.00 0.00 C ATOM 0 HA ILE B 2 -4.639 10.666 -6.520 1.00 0.00 H new ATOM 0 HB ILE B 2 -5.218 7.702 -6.029 1.00 0.00 H new ATOM 0 HG12 ILE B 2 -4.713 9.241 -8.618 1.00 0.00 H new ATOM 0 HG13 ILE B 2 -3.517 8.235 -7.824 1.00 0.00 H new ATOM 0 HG21 ILE B 2 -7.250 8.086 -7.352 1.00 0.00 H new ATOM 0 HG22 ILE B 2 -7.239 9.071 -5.870 1.00 0.00 H new ATOM 0 HG23 ILE B 2 -6.870 9.822 -7.440 1.00 0.00 H new ATOM 0 HD11 ILE B 2 -4.553 7.061 -9.686 1.00 0.00 H new ATOM 0 HD12 ILE B 2 -4.945 6.261 -8.146 1.00 0.00 H new ATOM 0 HD13 ILE B 2 -6.159 7.282 -8.952 1.00 0.00 H new ATOM 1370 N HIS B 3 -5.773 11.205 -4.441 1.00 0.00 N ATOM 1371 CA HIS B 3 -6.414 11.620 -3.232 1.00 0.00 C ATOM 1372 C HIS B 3 -7.772 11.010 -3.079 1.00 0.00 C ATOM 1373 O HIS B 3 -8.656 11.156 -3.925 1.00 0.00 O ATOM 1374 CB HIS B 3 -6.487 13.139 -3.107 1.00 0.00 C ATOM 1375 CG HIS B 3 -5.198 13.781 -2.714 1.00 0.00 C ATOM 1376 ND1 HIS B 3 -4.448 14.594 -3.532 1.00 0.00 N ATOM 1377 CD2 HIS B 3 -4.557 13.757 -1.526 1.00 0.00 C ATOM 1378 CE1 HIS B 3 -3.405 15.035 -2.824 1.00 0.00 C ATOM 1379 NE2 HIS B 3 -3.425 14.552 -1.596 1.00 0.00 N ATOM 0 H HIS B 3 -5.803 11.900 -5.187 1.00 0.00 H new ATOM 0 HA HIS B 3 -5.789 11.253 -2.417 1.00 0.00 H new ATOM 0 HB2 HIS B 3 -6.812 13.556 -4.060 1.00 0.00 H new ATOM 0 HB3 HIS B 3 -7.248 13.396 -2.370 1.00 0.00 H new ATOM 0 HD2 HIS B 3 -4.877 13.204 -0.656 1.00 0.00 H new ATOM 0 HE1 HIS B 3 -2.645 15.700 -3.206 1.00 0.00 H new ATOM 0 HE2 HIS B 3 -2.748 14.728 -0.853 1.00 0.00 H new ATOM 1387 N SER B 4 -7.912 10.305 -2.035 1.00 0.00 N ATOM 1388 CA SER B 4 -9.130 9.699 -1.654 1.00 0.00 C ATOM 1389 C SER B 4 -9.259 9.836 -0.157 1.00 0.00 C ATOM 1390 O SER B 4 -8.552 10.637 0.449 1.00 0.00 O ATOM 1391 CB SER B 4 -9.122 8.242 -2.079 1.00 0.00 C ATOM 1392 OG SER B 4 -9.196 8.126 -3.493 1.00 0.00 O ATOM 0 H SER B 4 -7.148 10.121 -1.385 1.00 0.00 H new ATOM 0 HA SER B 4 -9.982 10.179 -2.136 1.00 0.00 H new ATOM 0 HB2 SER B 4 -8.214 7.759 -1.717 1.00 0.00 H new ATOM 0 HB3 SER B 4 -9.964 7.721 -1.623 1.00 0.00 H new ATOM 0 HG SER B 4 -9.188 7.179 -3.744 1.00 0.00 H new ATOM 1398 N SER B 5 -10.145 9.113 0.434 1.00 0.00 N ATOM 1399 CA SER B 5 -10.337 9.155 1.849 1.00 0.00 C ATOM 1400 C SER B 5 -10.873 7.824 2.319 1.00 0.00 C ATOM 1401 O SER B 5 -11.461 7.074 1.534 1.00 0.00 O ATOM 1402 CB SER B 5 -11.305 10.296 2.236 1.00 0.00 C ATOM 1403 OG SER B 5 -10.791 11.579 1.860 1.00 0.00 O ATOM 0 H SER B 5 -10.766 8.467 -0.053 1.00 0.00 H new ATOM 0 HA SER B 5 -9.380 9.350 2.333 1.00 0.00 H new ATOM 0 HB2 SER B 5 -12.269 10.135 1.753 1.00 0.00 H new ATOM 0 HB3 SER B 5 -11.480 10.275 3.312 1.00 0.00 H new ATOM 0 HG SER B 5 -11.430 12.276 2.119 1.00 0.00 H new ATOM 1409 N VAL B 6 -10.626 7.509 3.558 1.00 0.00 N ATOM 1410 CA VAL B 6 -11.159 6.307 4.152 1.00 0.00 C ATOM 1411 C VAL B 6 -12.606 6.551 4.458 1.00 0.00 C ATOM 1412 O VAL B 6 -12.933 7.353 5.330 1.00 0.00 O ATOM 1413 CB VAL B 6 -10.419 5.940 5.455 1.00 0.00 C ATOM 1414 CG1 VAL B 6 -10.965 4.654 6.055 1.00 0.00 C ATOM 1415 CG2 VAL B 6 -8.958 5.797 5.171 1.00 0.00 C ATOM 0 H VAL B 6 -10.053 8.072 4.186 1.00 0.00 H new ATOM 0 HA VAL B 6 -11.032 5.478 3.455 1.00 0.00 H new ATOM 0 HB VAL B 6 -10.576 6.738 6.181 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -10.423 4.422 6.972 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -12.024 4.779 6.281 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -10.839 3.838 5.343 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -8.432 5.538 6.090 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -8.806 5.010 4.432 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -8.569 6.739 4.784 1.00 0.00 H new ATOM 1425 N LYS B 7 -13.465 5.931 3.733 1.00 0.00 N ATOM 1426 CA LYS B 7 -14.851 6.141 3.937 1.00 0.00 C ATOM 1427 C LYS B 7 -15.441 4.926 4.625 1.00 0.00 C ATOM 1428 O LYS B 7 -14.797 3.887 4.715 1.00 0.00 O ATOM 1429 CB LYS B 7 -15.526 6.416 2.615 1.00 0.00 C ATOM 1430 CG LYS B 7 -15.097 7.691 1.907 1.00 0.00 C ATOM 1431 CD LYS B 7 -15.656 8.908 2.604 1.00 0.00 C ATOM 1432 CE LYS B 7 -15.429 10.167 1.786 1.00 0.00 C ATOM 1433 NZ LYS B 7 -16.165 11.325 2.338 1.00 0.00 N ATOM 0 H LYS B 7 -13.231 5.272 2.991 1.00 0.00 H new ATOM 0 HA LYS B 7 -15.012 7.009 4.577 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -15.339 5.573 1.950 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -16.603 6.459 2.780 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -14.009 7.749 1.882 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -15.439 7.670 0.872 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -16.724 8.772 2.777 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -15.186 9.017 3.581 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -14.363 10.394 1.758 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -15.745 9.993 0.757 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -15.719 12.207 2.013 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -17.152 11.296 2.013 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -16.141 11.288 3.377 1.00 0.00 H new ATOM 1447 N ARG B 8 -16.632 5.043 5.110 1.00 0.00 N ATOM 1448 CA ARG B 8 -17.252 3.971 5.841 1.00 0.00 C ATOM 1449 C ARG B 8 -18.269 3.242 4.964 1.00 0.00 C ATOM 1450 O ARG B 8 -19.348 3.771 4.668 1.00 0.00 O ATOM 1451 CB ARG B 8 -17.915 4.529 7.096 1.00 0.00 C ATOM 1452 CG ARG B 8 -18.517 3.490 8.013 1.00 0.00 C ATOM 1453 CD ARG B 8 -19.194 4.150 9.199 1.00 0.00 C ATOM 1454 NE ARG B 8 -18.241 4.815 10.105 1.00 0.00 N ATOM 1455 CZ ARG B 8 -18.297 6.105 10.498 1.00 0.00 C ATOM 1456 NH1 ARG B 8 -19.182 6.942 9.964 1.00 0.00 N ATOM 1457 NH2 ARG B 8 -17.440 6.554 11.409 1.00 0.00 N ATOM 0 H ARG B 8 -17.208 5.879 5.015 1.00 0.00 H new ATOM 0 HA ARG B 8 -16.490 3.249 6.136 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -17.176 5.102 7.656 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -18.698 5.226 6.797 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -19.241 2.888 7.463 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -17.739 2.812 8.363 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -19.916 4.882 8.838 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -19.754 3.399 9.756 1.00 0.00 H new ATOM 0 HE ARG B 8 -17.472 4.251 10.467 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -19.829 6.611 9.248 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -19.214 7.914 10.270 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -16.744 5.925 11.808 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -17.479 7.528 11.709 1.00 0.00 H new ATOM 1471 N TRP B 9 -17.917 2.060 4.546 1.00 0.00 N ATOM 1472 CA TRP B 9 -18.768 1.212 3.732 1.00 0.00 C ATOM 1473 C TRP B 9 -19.554 0.332 4.677 1.00 0.00 C ATOM 1474 O TRP B 9 -19.044 -0.687 5.163 1.00 0.00 O ATOM 1475 CB TRP B 9 -17.891 0.373 2.773 1.00 0.00 C ATOM 1476 CG TRP B 9 -18.601 -0.548 1.817 1.00 0.00 C ATOM 1477 CD1 TRP B 9 -19.926 -0.574 1.536 1.00 0.00 C ATOM 1478 CD2 TRP B 9 -18.014 -1.586 0.990 1.00 0.00 C ATOM 1479 NE1 TRP B 9 -20.189 -1.504 0.596 1.00 0.00 N ATOM 1480 CE2 TRP B 9 -19.071 -2.151 0.265 1.00 0.00 C ATOM 1481 CE3 TRP B 9 -16.712 -2.103 0.779 1.00 0.00 C ATOM 1482 CZ2 TRP B 9 -18.902 -3.170 -0.627 1.00 0.00 C ATOM 1483 CZ3 TRP B 9 -16.562 -3.119 -0.116 1.00 0.00 C ATOM 1484 CH2 TRP B 9 -17.664 -3.642 -0.803 1.00 0.00 C ATOM 0 H TRP B 9 -17.012 1.642 4.762 1.00 0.00 H new ATOM 0 HA TRP B 9 -19.454 1.797 3.119 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -17.279 1.059 2.188 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -17.210 -0.227 3.376 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -20.667 0.061 1.999 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -21.109 -1.686 0.196 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -15.862 -1.703 1.313 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -19.739 -3.581 -1.172 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -15.579 -3.527 -0.298 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -17.509 -4.454 -1.498 1.00 0.00 H new ATOM 1495 N GLY B 10 -20.750 0.776 5.014 1.00 0.00 N ATOM 1496 CA GLY B 10 -21.536 0.073 5.973 1.00 0.00 C ATOM 1497 C GLY B 10 -20.969 0.357 7.324 1.00 0.00 C ATOM 1498 O GLY B 10 -20.886 1.522 7.730 1.00 0.00 O ATOM 0 H GLY B 10 -21.184 1.616 4.633 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -22.577 0.392 5.921 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -21.520 -0.998 5.769 1.00 0.00 H new ATOM 1502 N ASN B 11 -20.550 -0.656 8.007 1.00 0.00 N ATOM 1503 CA ASN B 11 -19.875 -0.463 9.277 1.00 0.00 C ATOM 1504 C ASN B 11 -18.378 -0.791 9.190 1.00 0.00 C ATOM 1505 O ASN B 11 -17.741 -1.054 10.208 1.00 0.00 O ATOM 1506 CB ASN B 11 -20.539 -1.294 10.381 1.00 0.00 C ATOM 1507 CG ASN B 11 -21.932 -0.815 10.728 1.00 0.00 C ATOM 1508 OD1 ASN B 11 -22.258 0.378 10.610 1.00 0.00 O ATOM 1509 ND2 ASN B 11 -22.758 -1.717 11.165 1.00 0.00 N ATOM 0 H ASN B 11 -20.656 -1.629 7.720 1.00 0.00 H new ATOM 0 HA ASN B 11 -19.967 0.594 9.529 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -20.588 -2.336 10.064 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -19.917 -1.262 11.275 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -23.709 -1.455 11.424 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -22.456 -2.688 11.249 1.00 0.00 H new ATOM 1516 N SER B 12 -17.793 -0.706 8.001 1.00 0.00 N ATOM 1517 CA SER B 12 -16.421 -1.058 7.830 1.00 0.00 C ATOM 1518 C SER B 12 -15.736 -0.005 6.958 1.00 0.00 C ATOM 1519 O SER B 12 -16.269 0.383 5.921 1.00 0.00 O ATOM 1520 CB SER B 12 -16.335 -2.424 7.157 1.00 0.00 C ATOM 1521 OG SER B 12 -17.101 -3.402 7.856 1.00 0.00 O ATOM 0 H SER B 12 -18.262 -0.394 7.151 1.00 0.00 H new ATOM 0 HA SER B 12 -15.924 -1.101 8.799 1.00 0.00 H new ATOM 0 HB2 SER B 12 -16.692 -2.347 6.130 1.00 0.00 H new ATOM 0 HB3 SER B 12 -15.294 -2.742 7.110 1.00 0.00 H new ATOM 0 HG SER B 12 -17.026 -4.265 7.398 1.00 0.00 H new ATOM 1527 N PRO B 13 -14.603 0.517 7.401 1.00 0.00 N ATOM 1528 CA PRO B 13 -13.814 1.474 6.626 1.00 0.00 C ATOM 1529 C PRO B 13 -13.298 0.857 5.319 1.00 0.00 C ATOM 1530 O PRO B 13 -12.747 -0.256 5.306 1.00 0.00 O ATOM 1531 CB PRO B 13 -12.635 1.819 7.542 1.00 0.00 C ATOM 1532 CG PRO B 13 -12.623 0.779 8.599 1.00 0.00 C ATOM 1533 CD PRO B 13 -14.012 0.241 8.710 1.00 0.00 C ATOM 0 HA PRO B 13 -14.406 2.343 6.338 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -11.697 1.822 6.987 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -12.753 2.813 7.973 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -11.922 -0.017 8.347 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -12.298 1.201 9.550 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -14.010 -0.827 8.930 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -14.567 0.731 9.510 1.00 0.00 H new ATOM 1541 N ALA B 14 -13.488 1.557 4.235 1.00 0.00 N ATOM 1542 CA ALA B 14 -13.064 1.095 2.953 1.00 0.00 C ATOM 1543 C ALA B 14 -12.455 2.234 2.164 1.00 0.00 C ATOM 1544 O ALA B 14 -12.868 3.399 2.305 1.00 0.00 O ATOM 1545 CB ALA B 14 -14.232 0.483 2.195 1.00 0.00 C ATOM 0 H ALA B 14 -13.945 2.469 4.222 1.00 0.00 H new ATOM 0 HA ALA B 14 -12.306 0.324 3.092 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -13.891 0.136 1.220 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -14.632 -0.359 2.760 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -15.012 1.233 2.061 1.00 0.00 H new ATOM 1551 N VAL B 15 -11.460 1.917 1.387 1.00 0.00 N ATOM 1552 CA VAL B 15 -10.813 2.885 0.526 1.00 0.00 C ATOM 1553 C VAL B 15 -11.115 2.530 -0.922 1.00 0.00 C ATOM 1554 O VAL B 15 -11.091 1.344 -1.292 1.00 0.00 O ATOM 1555 CB VAL B 15 -9.263 2.943 0.765 1.00 0.00 C ATOM 1556 CG1 VAL B 15 -8.580 3.901 -0.212 1.00 0.00 C ATOM 1557 CG2 VAL B 15 -8.963 3.380 2.189 1.00 0.00 C ATOM 0 H VAL B 15 -11.067 0.978 1.327 1.00 0.00 H new ATOM 0 HA VAL B 15 -11.205 3.875 0.761 1.00 0.00 H new ATOM 0 HB VAL B 15 -8.870 1.940 0.598 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -7.508 3.916 -0.017 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -8.759 3.567 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -8.986 4.904 -0.082 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -7.884 3.415 2.339 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -9.386 4.369 2.363 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -9.403 2.669 2.888 1.00 0.00 H new ATOM 1567 N ARG B 16 -11.449 3.536 -1.708 1.00 0.00 N ATOM 1568 CA ARG B 16 -11.743 3.367 -3.114 1.00 0.00 C ATOM 1569 C ARG B 16 -10.479 3.193 -3.931 1.00 0.00 C ATOM 1570 O ARG B 16 -9.514 3.941 -3.772 1.00 0.00 O ATOM 1571 CB ARG B 16 -12.485 4.572 -3.661 1.00 0.00 C ATOM 1572 CG ARG B 16 -13.927 4.697 -3.246 1.00 0.00 C ATOM 1573 CD ARG B 16 -14.525 5.912 -3.912 1.00 0.00 C ATOM 1574 NE ARG B 16 -15.970 6.035 -3.717 1.00 0.00 N ATOM 1575 CZ ARG B 16 -16.722 7.021 -4.219 1.00 0.00 C ATOM 1576 NH1 ARG B 16 -16.171 7.958 -4.997 1.00 0.00 N ATOM 1577 NH2 ARG B 16 -18.023 7.059 -3.968 1.00 0.00 N ATOM 0 H ARG B 16 -11.524 4.500 -1.384 1.00 0.00 H new ATOM 0 HA ARG B 16 -12.360 2.472 -3.195 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -11.957 5.473 -3.348 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -12.441 4.539 -4.750 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -14.480 3.801 -3.530 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -14.001 4.787 -2.162 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -14.037 6.806 -3.524 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -14.313 5.872 -4.980 1.00 0.00 H new ATOM 0 HE ARG B 16 -16.436 5.319 -3.160 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -15.174 7.923 -5.210 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -16.748 8.708 -5.378 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -18.452 6.336 -3.391 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -18.595 7.812 -4.352 1.00 0.00 H new ATOM 1591 N ILE B 17 -10.485 2.210 -4.777 1.00 0.00 N ATOM 1592 CA ILE B 17 -9.426 1.997 -5.717 1.00 0.00 C ATOM 1593 C ILE B 17 -9.938 2.394 -7.103 1.00 0.00 C ATOM 1594 O ILE B 17 -11.052 2.033 -7.480 1.00 0.00 O ATOM 1595 CB ILE B 17 -8.897 0.500 -5.713 1.00 0.00 C ATOM 1596 CG1 ILE B 17 -8.035 0.187 -4.492 1.00 0.00 C ATOM 1597 CG2 ILE B 17 -8.121 0.144 -6.951 1.00 0.00 C ATOM 1598 CD1 ILE B 17 -8.782 0.056 -3.224 1.00 0.00 C ATOM 0 H ILE B 17 -11.236 1.522 -4.836 1.00 0.00 H new ATOM 0 HA ILE B 17 -8.573 2.613 -5.433 1.00 0.00 H new ATOM 0 HB ILE B 17 -9.802 -0.107 -5.681 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -7.493 -0.741 -4.676 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -7.290 0.975 -4.379 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -7.788 -0.892 -6.886 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -8.758 0.266 -7.827 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -7.254 0.799 -7.038 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -8.087 -0.166 -2.414 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -9.302 0.990 -3.010 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -9.508 -0.752 -3.311 1.00 0.00 H new ATOM 1610 N PRO B 18 -9.191 3.213 -7.842 1.00 0.00 N ATOM 1611 CA PRO B 18 -9.561 3.575 -9.198 1.00 0.00 C ATOM 1612 C PRO B 18 -9.498 2.360 -10.122 1.00 0.00 C ATOM 1613 O PRO B 18 -8.556 1.544 -10.035 1.00 0.00 O ATOM 1614 CB PRO B 18 -8.500 4.599 -9.617 1.00 0.00 C ATOM 1615 CG PRO B 18 -7.847 5.027 -8.356 1.00 0.00 C ATOM 1616 CD PRO B 18 -7.961 3.880 -7.407 1.00 0.00 C ATOM 0 HA PRO B 18 -10.578 3.963 -9.256 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -7.778 4.158 -10.304 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -8.953 5.446 -10.132 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -6.802 5.285 -8.529 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -8.332 5.915 -7.951 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.098 3.217 -7.470 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -8.029 4.217 -6.373 1.00 0.00 H new ATOM 1624 N ALA B 19 -10.471 2.238 -11.007 1.00 0.00 N ATOM 1625 CA ALA B 19 -10.521 1.137 -11.961 1.00 0.00 C ATOM 1626 C ALA B 19 -9.290 1.138 -12.872 1.00 0.00 C ATOM 1627 O ALA B 19 -8.875 0.102 -13.383 1.00 0.00 O ATOM 1628 CB ALA B 19 -11.801 1.182 -12.770 1.00 0.00 C ATOM 0 H ALA B 19 -11.247 2.895 -11.087 1.00 0.00 H new ATOM 0 HA ALA B 19 -10.513 0.204 -11.398 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -11.815 0.351 -13.475 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.658 1.105 -12.100 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -11.852 2.123 -13.318 1.00 0.00 H new ATOM 1634 N THR B 20 -8.708 2.305 -13.051 1.00 0.00 N ATOM 1635 CA THR B 20 -7.484 2.470 -13.800 1.00 0.00 C ATOM 1636 C THR B 20 -6.333 1.678 -13.118 1.00 0.00 C ATOM 1637 O THR B 20 -5.537 1.024 -13.776 1.00 0.00 O ATOM 1638 CB THR B 20 -7.131 3.967 -13.851 1.00 0.00 C ATOM 1639 OG1 THR B 20 -8.305 4.705 -14.246 1.00 0.00 O ATOM 1640 CG2 THR B 20 -6.016 4.233 -14.844 1.00 0.00 C ATOM 0 H THR B 20 -9.079 3.177 -12.674 1.00 0.00 H new ATOM 0 HA THR B 20 -7.618 2.088 -14.812 1.00 0.00 H new ATOM 0 HB THR B 20 -6.791 4.282 -12.864 1.00 0.00 H new ATOM 0 HG1 THR B 20 -8.094 5.661 -14.281 1.00 0.00 H new ATOM 0 HG21 THR B 20 -5.788 5.299 -14.858 1.00 0.00 H new ATOM 0 HG22 THR B 20 -5.126 3.676 -14.550 1.00 0.00 H new ATOM 0 HG23 THR B 20 -6.331 3.916 -15.838 1.00 0.00 H new ATOM 1648 N LEU B 21 -6.321 1.688 -11.792 1.00 0.00 N ATOM 1649 CA LEU B 21 -5.287 1.010 -11.006 1.00 0.00 C ATOM 1650 C LEU B 21 -5.496 -0.454 -10.990 1.00 0.00 C ATOM 1651 O LEU B 21 -4.546 -1.225 -10.920 1.00 0.00 O ATOM 1652 CB LEU B 21 -5.240 1.548 -9.595 1.00 0.00 C ATOM 1653 CG LEU B 21 -4.354 2.758 -9.372 1.00 0.00 C ATOM 1654 CD1 LEU B 21 -2.890 2.355 -9.409 1.00 0.00 C ATOM 1655 CD2 LEU B 21 -4.609 3.840 -10.408 1.00 0.00 C ATOM 0 H LEU B 21 -7.024 2.164 -11.227 1.00 0.00 H new ATOM 0 HA LEU B 21 -4.329 1.211 -11.485 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -6.255 1.805 -9.292 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -4.903 0.749 -8.934 1.00 0.00 H new ATOM 0 HG LEU B 21 -4.598 3.163 -8.390 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -2.266 3.234 -9.247 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -2.694 1.622 -8.626 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -2.657 1.919 -10.380 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -3.955 4.690 -10.214 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -4.406 3.445 -11.404 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -5.649 4.161 -10.350 1.00 0.00 H new ATOM 1667 N MET B 22 -6.739 -0.834 -11.038 1.00 0.00 N ATOM 1668 CA MET B 22 -7.099 -2.253 -11.180 1.00 0.00 C ATOM 1669 C MET B 22 -6.412 -2.816 -12.395 1.00 0.00 C ATOM 1670 O MET B 22 -5.770 -3.845 -12.334 1.00 0.00 O ATOM 1671 CB MET B 22 -8.590 -2.460 -11.376 1.00 0.00 C ATOM 1672 CG MET B 22 -9.494 -1.972 -10.277 1.00 0.00 C ATOM 1673 SD MET B 22 -11.221 -2.259 -10.696 1.00 0.00 S ATOM 1674 CE MET B 22 -11.244 -4.047 -10.839 1.00 0.00 C ATOM 0 H MET B 22 -7.534 -0.198 -10.983 1.00 0.00 H new ATOM 0 HA MET B 22 -6.791 -2.751 -10.260 1.00 0.00 H new ATOM 0 HB2 MET B 22 -8.883 -1.964 -12.302 1.00 0.00 H new ATOM 0 HB3 MET B 22 -8.769 -3.526 -11.515 1.00 0.00 H new ATOM 0 HG2 MET B 22 -9.251 -2.484 -9.346 1.00 0.00 H new ATOM 0 HG3 MET B 22 -9.328 -0.908 -10.109 1.00 0.00 H new ATOM 0 HE1 MET B 22 -12.263 -4.410 -10.705 1.00 0.00 H new ATOM 0 HE2 MET B 22 -10.882 -4.338 -11.825 1.00 0.00 H new ATOM 0 HE3 MET B 22 -10.601 -4.482 -10.074 1.00 0.00 H new ATOM 1684 N GLN B 23 -6.528 -2.080 -13.475 1.00 0.00 N ATOM 1685 CA GLN B 23 -5.956 -2.431 -14.763 1.00 0.00 C ATOM 1686 C GLN B 23 -4.450 -2.313 -14.749 1.00 0.00 C ATOM 1687 O GLN B 23 -3.748 -2.968 -15.521 1.00 0.00 O ATOM 1688 CB GLN B 23 -6.531 -1.514 -15.804 1.00 0.00 C ATOM 1689 CG GLN B 23 -8.012 -1.664 -15.933 1.00 0.00 C ATOM 1690 CD GLN B 23 -8.611 -0.671 -16.886 1.00 0.00 C ATOM 1691 OE1 GLN B 23 -8.703 -0.916 -18.086 1.00 0.00 O ATOM 1692 NE2 GLN B 23 -9.053 0.439 -16.362 1.00 0.00 N ATOM 0 H GLN B 23 -7.036 -1.195 -13.487 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.202 -3.469 -14.989 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.293 -0.482 -15.548 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -6.062 -1.720 -16.766 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -8.243 -2.674 -16.273 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -8.473 -1.545 -14.952 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -8.957 0.604 -15.360 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -9.495 1.142 -16.954 1.00 0.00 H new ATOM 1701 N ALA B 24 -3.951 -1.485 -13.871 1.00 0.00 N ATOM 1702 CA ALA B 24 -2.515 -1.311 -13.744 1.00 0.00 C ATOM 1703 C ALA B 24 -1.895 -2.529 -13.072 1.00 0.00 C ATOM 1704 O ALA B 24 -0.767 -2.917 -13.371 1.00 0.00 O ATOM 1705 CB ALA B 24 -2.184 -0.038 -12.974 1.00 0.00 C ATOM 0 H ALA B 24 -4.509 -0.919 -13.232 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.091 -1.213 -14.743 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -1.102 0.068 -12.894 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -2.595 0.823 -13.501 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.618 -0.093 -11.976 1.00 0.00 H new ATOM 1711 N LEU B 25 -2.651 -3.145 -12.188 1.00 0.00 N ATOM 1712 CA LEU B 25 -2.182 -4.288 -11.448 1.00 0.00 C ATOM 1713 C LEU B 25 -2.821 -5.578 -11.949 1.00 0.00 C ATOM 1714 O LEU B 25 -2.599 -6.648 -11.394 1.00 0.00 O ATOM 1715 CB LEU B 25 -2.488 -4.054 -9.998 1.00 0.00 C ATOM 1716 CG LEU B 25 -1.792 -2.839 -9.404 1.00 0.00 C ATOM 1717 CD1 LEU B 25 -2.364 -2.521 -8.069 1.00 0.00 C ATOM 1718 CD2 LEU B 25 -0.300 -3.082 -9.290 1.00 0.00 C ATOM 0 H LEU B 25 -3.606 -2.865 -11.965 1.00 0.00 H new ATOM 0 HA LEU B 25 -1.107 -4.405 -11.588 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -3.565 -3.936 -9.880 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -2.200 -4.938 -9.430 1.00 0.00 H new ATOM 0 HG LEU B 25 -1.954 -1.990 -10.068 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.857 -1.649 -7.654 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -3.428 -2.308 -8.170 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -2.226 -3.372 -7.402 1.00 0.00 H new ATOM 0 HD21 LEU B 25 0.180 -2.202 -8.863 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.120 -3.942 -8.645 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.114 -3.277 -10.279 1.00 0.00 H new ATOM 1730 N ASN B 26 -3.637 -5.446 -12.998 1.00 0.00 N ATOM 1731 CA ASN B 26 -4.329 -6.568 -13.681 1.00 0.00 C ATOM 1732 C ASN B 26 -5.237 -7.375 -12.748 1.00 0.00 C ATOM 1733 O ASN B 26 -5.550 -8.538 -13.021 1.00 0.00 O ATOM 1734 CB ASN B 26 -3.330 -7.496 -14.412 1.00 0.00 C ATOM 1735 CG ASN B 26 -2.602 -6.799 -15.549 1.00 0.00 C ATOM 1736 OD1 ASN B 26 -3.093 -6.752 -16.679 1.00 0.00 O ATOM 1737 ND2 ASN B 26 -1.428 -6.283 -15.279 1.00 0.00 N ATOM 0 H ASN B 26 -3.847 -4.539 -13.414 1.00 0.00 H new ATOM 0 HA ASN B 26 -4.977 -6.105 -14.426 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -2.600 -7.872 -13.696 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -3.865 -8.360 -14.805 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -0.891 -5.825 -16.015 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -1.051 -6.340 -14.333 1.00 0.00 H new ATOM 1744 N LEU B 27 -5.701 -6.744 -11.691 1.00 0.00 N ATOM 1745 CA LEU B 27 -6.542 -7.383 -10.724 1.00 0.00 C ATOM 1746 C LEU B 27 -7.993 -6.974 -10.952 1.00 0.00 C ATOM 1747 O LEU B 27 -8.262 -5.919 -11.554 1.00 0.00 O ATOM 1748 CB LEU B 27 -6.038 -7.052 -9.307 1.00 0.00 C ATOM 1749 CG LEU B 27 -5.990 -5.568 -8.880 1.00 0.00 C ATOM 1750 CD1 LEU B 27 -7.323 -5.092 -8.335 1.00 0.00 C ATOM 1751 CD2 LEU B 27 -4.895 -5.333 -7.869 1.00 0.00 C ATOM 0 H LEU B 27 -5.499 -5.766 -11.484 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.499 -8.466 -10.835 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -6.670 -7.583 -8.596 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.032 -7.460 -9.207 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.771 -4.985 -9.774 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -7.245 -4.044 -8.047 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -8.090 -5.201 -9.102 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -7.594 -5.689 -7.464 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.882 -4.281 -7.585 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -5.078 -5.945 -6.986 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -3.933 -5.603 -8.305 1.00 0.00 H new ATOM 1763 N ASN B 28 -8.914 -7.790 -10.501 1.00 0.00 N ATOM 1764 CA ASN B 28 -10.333 -7.534 -10.722 1.00 0.00 C ATOM 1765 C ASN B 28 -11.084 -7.563 -9.393 1.00 0.00 C ATOM 1766 O ASN B 28 -10.466 -7.579 -8.330 1.00 0.00 O ATOM 1767 CB ASN B 28 -10.937 -8.588 -11.671 1.00 0.00 C ATOM 1768 CG ASN B 28 -10.202 -8.718 -12.990 1.00 0.00 C ATOM 1769 OD1 ASN B 28 -10.486 -7.994 -13.952 1.00 0.00 O ATOM 1770 ND2 ASN B 28 -9.296 -9.665 -13.068 1.00 0.00 N ATOM 0 H ASN B 28 -8.715 -8.642 -9.976 1.00 0.00 H new ATOM 0 HA ASN B 28 -10.433 -6.549 -11.178 1.00 0.00 H new ATOM 0 HB2 ASN B 28 -10.938 -9.556 -11.170 1.00 0.00 H new ATOM 0 HB3 ASN B 28 -11.977 -8.330 -11.870 1.00 0.00 H new ATOM 0 HD21 ASN B 28 -8.799 -9.824 -13.944 1.00 0.00 H new ATOM 0 HD22 ASN B 28 -9.090 -10.242 -12.252 1.00 0.00 H new ATOM 1777 N ILE B 29 -12.413 -7.552 -9.453 1.00 0.00 N ATOM 1778 CA ILE B 29 -13.242 -7.641 -8.251 1.00 0.00 C ATOM 1779 C ILE B 29 -13.214 -9.087 -7.761 1.00 0.00 C ATOM 1780 O ILE B 29 -13.104 -10.013 -8.579 1.00 0.00 O ATOM 1781 CB ILE B 29 -14.731 -7.183 -8.519 1.00 0.00 C ATOM 1782 CG1 ILE B 29 -14.803 -5.696 -8.912 1.00 0.00 C ATOM 1783 CG2 ILE B 29 -15.645 -7.451 -7.316 1.00 0.00 C ATOM 1784 CD1 ILE B 29 -14.246 -4.741 -7.876 1.00 0.00 C ATOM 0 H ILE B 29 -12.941 -7.482 -10.323 1.00 0.00 H new ATOM 0 HA ILE B 29 -12.839 -6.968 -7.494 1.00 0.00 H new ATOM 0 HB ILE B 29 -15.090 -7.783 -9.355 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -14.260 -5.554 -9.846 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -15.844 -5.435 -9.105 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -16.657 -7.120 -7.547 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -15.654 -8.519 -7.096 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -15.274 -6.905 -6.448 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -14.338 -3.717 -8.238 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -14.803 -4.848 -6.945 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -13.195 -4.970 -7.698 1.00 0.00 H new ATOM 1796 N ASP B 30 -13.241 -9.257 -6.444 1.00 0.00 N ATOM 1797 CA ASP B 30 -13.205 -10.561 -5.767 1.00 0.00 C ATOM 1798 C ASP B 30 -11.837 -11.163 -5.791 1.00 0.00 C ATOM 1799 O ASP B 30 -11.664 -12.345 -5.492 1.00 0.00 O ATOM 1800 CB ASP B 30 -14.248 -11.577 -6.275 1.00 0.00 C ATOM 1801 CG ASP B 30 -15.635 -11.336 -5.752 1.00 0.00 C ATOM 1802 OD1 ASP B 30 -15.874 -11.572 -4.544 1.00 0.00 O ATOM 1803 OD2 ASP B 30 -16.525 -10.945 -6.527 1.00 0.00 O ATOM 0 H ASP B 30 -13.290 -8.473 -5.794 1.00 0.00 H new ATOM 0 HA ASP B 30 -13.479 -10.338 -4.736 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -14.270 -11.546 -7.364 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -13.932 -12.581 -5.991 1.00 0.00 H new ATOM 1808 N ASP B 31 -10.854 -10.364 -6.121 1.00 0.00 N ATOM 1809 CA ASP B 31 -9.510 -10.835 -6.120 1.00 0.00 C ATOM 1810 C ASP B 31 -9.011 -10.638 -4.728 1.00 0.00 C ATOM 1811 O ASP B 31 -9.193 -9.545 -4.149 1.00 0.00 O ATOM 1812 CB ASP B 31 -8.658 -10.052 -7.104 1.00 0.00 C ATOM 1813 CG ASP B 31 -7.363 -10.755 -7.422 1.00 0.00 C ATOM 1814 OD1 ASP B 31 -7.355 -11.588 -8.357 1.00 0.00 O ATOM 1815 OD2 ASP B 31 -6.347 -10.507 -6.782 1.00 0.00 O ATOM 0 H ASP B 31 -10.968 -9.387 -6.392 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.458 -11.880 -6.424 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -9.220 -9.896 -8.025 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.442 -9.066 -6.691 1.00 0.00 H new ATOM 1820 N GLU B 32 -8.466 -11.662 -4.164 1.00 0.00 N ATOM 1821 CA GLU B 32 -8.027 -11.603 -2.808 1.00 0.00 C ATOM 1822 C GLU B 32 -6.730 -10.851 -2.696 1.00 0.00 C ATOM 1823 O GLU B 32 -5.871 -10.923 -3.582 1.00 0.00 O ATOM 1824 CB GLU B 32 -7.953 -12.980 -2.134 1.00 0.00 C ATOM 1825 CG GLU B 32 -7.017 -13.997 -2.778 1.00 0.00 C ATOM 1826 CD GLU B 32 -7.590 -14.630 -4.028 1.00 0.00 C ATOM 1827 OE1 GLU B 32 -8.341 -15.614 -3.914 1.00 0.00 O ATOM 1828 OE2 GLU B 32 -7.320 -14.150 -5.140 1.00 0.00 O ATOM 0 H GLU B 32 -8.312 -12.559 -4.625 1.00 0.00 H new ATOM 0 HA GLU B 32 -8.788 -11.050 -2.257 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -7.644 -12.838 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -8.957 -13.405 -2.112 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -6.075 -13.508 -3.026 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -6.789 -14.780 -2.055 1.00 0.00 H new ATOM 1835 N VAL B 33 -6.588 -10.113 -1.629 1.00 0.00 N ATOM 1836 CA VAL B 33 -5.433 -9.286 -1.448 1.00 0.00 C ATOM 1837 C VAL B 33 -4.927 -9.374 -0.025 1.00 0.00 C ATOM 1838 O VAL B 33 -5.694 -9.662 0.916 1.00 0.00 O ATOM 1839 CB VAL B 33 -5.638 -7.771 -1.879 1.00 0.00 C ATOM 1840 CG1 VAL B 33 -6.312 -7.643 -3.222 1.00 0.00 C ATOM 1841 CG2 VAL B 33 -6.412 -6.978 -0.862 1.00 0.00 C ATOM 0 H VAL B 33 -7.265 -10.070 -0.868 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.680 -9.684 -2.128 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.632 -7.358 -1.948 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.429 -6.588 -3.471 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -5.702 -8.130 -3.983 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -7.292 -8.118 -3.184 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -6.522 -5.950 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -7.398 -7.423 -0.727 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.878 -6.985 0.088 1.00 0.00 H new ATOM 1851 N LYS B 34 -3.650 -9.176 0.108 1.00 0.00 N ATOM 1852 CA LYS B 34 -2.971 -9.173 1.369 1.00 0.00 C ATOM 1853 C LYS B 34 -2.701 -7.753 1.806 1.00 0.00 C ATOM 1854 O LYS B 34 -2.029 -6.996 1.091 1.00 0.00 O ATOM 1855 CB LYS B 34 -1.641 -9.900 1.229 1.00 0.00 C ATOM 1856 CG LYS B 34 -1.729 -11.417 1.155 1.00 0.00 C ATOM 1857 CD LYS B 34 -0.396 -12.037 0.707 1.00 0.00 C ATOM 1858 CE LYS B 34 0.801 -11.470 1.477 1.00 0.00 C ATOM 1859 NZ LYS B 34 0.705 -11.665 2.942 1.00 0.00 N ATOM 0 H LYS B 34 -3.031 -9.006 -0.685 1.00 0.00 H new ATOM 0 HA LYS B 34 -3.597 -9.672 2.109 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -1.142 -9.538 0.330 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -1.009 -9.631 2.075 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -2.007 -11.815 2.131 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -2.517 -11.703 0.458 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -0.436 -13.117 0.847 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -0.256 -11.859 -0.359 1.00 0.00 H new ATOM 0 HE2 LYS B 34 1.714 -11.943 1.114 1.00 0.00 H new ATOM 0 HE3 LYS B 34 0.888 -10.404 1.265 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 0.748 -10.742 3.419 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -0.195 -12.132 3.172 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 1.495 -12.259 3.266 1.00 0.00 H new ATOM 1873 N ILE B 35 -3.239 -7.373 2.933 1.00 0.00 N ATOM 1874 CA ILE B 35 -2.928 -6.083 3.492 1.00 0.00 C ATOM 1875 C ILE B 35 -1.852 -6.280 4.558 1.00 0.00 C ATOM 1876 O ILE B 35 -2.154 -6.664 5.693 1.00 0.00 O ATOM 1877 CB ILE B 35 -4.169 -5.325 4.118 1.00 0.00 C ATOM 1878 CG1 ILE B 35 -5.278 -5.026 3.082 1.00 0.00 C ATOM 1879 CG2 ILE B 35 -3.737 -4.022 4.782 1.00 0.00 C ATOM 1880 CD1 ILE B 35 -6.130 -6.210 2.685 1.00 0.00 C ATOM 0 H ILE B 35 -3.892 -7.934 3.481 1.00 0.00 H new ATOM 0 HA ILE B 35 -2.585 -5.449 2.674 1.00 0.00 H new ATOM 0 HB ILE B 35 -4.585 -6.001 4.866 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -5.929 -4.250 3.485 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -4.813 -4.617 2.185 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -4.609 -3.522 5.204 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -3.023 -4.238 5.577 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -3.270 -3.373 4.041 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -6.876 -5.893 1.956 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -5.498 -6.982 2.246 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -6.631 -6.609 3.567 1.00 0.00 H new ATOM 1892 N ASP B 36 -0.609 -6.089 4.175 1.00 0.00 N ATOM 1893 CA ASP B 36 0.517 -6.224 5.102 1.00 0.00 C ATOM 1894 C ASP B 36 0.896 -4.854 5.605 1.00 0.00 C ATOM 1895 O ASP B 36 1.107 -3.937 4.818 1.00 0.00 O ATOM 1896 CB ASP B 36 1.782 -6.889 4.449 1.00 0.00 C ATOM 1897 CG ASP B 36 1.872 -8.430 4.530 1.00 0.00 C ATOM 1898 OD1 ASP B 36 2.397 -8.964 5.548 1.00 0.00 O ATOM 1899 OD2 ASP B 36 1.509 -9.134 3.553 1.00 0.00 O ATOM 0 H ASP B 36 -0.341 -5.838 3.224 1.00 0.00 H new ATOM 0 HA ASP B 36 0.191 -6.878 5.911 1.00 0.00 H new ATOM 0 HB2 ASP B 36 1.815 -6.600 3.398 1.00 0.00 H new ATOM 0 HB3 ASP B 36 2.670 -6.470 4.923 1.00 0.00 H new ATOM 1904 N LEU B 37 0.930 -4.681 6.897 1.00 0.00 N ATOM 1905 CA LEU B 37 1.330 -3.480 7.462 1.00 0.00 C ATOM 1906 C LEU B 37 2.824 -3.554 7.609 1.00 0.00 C ATOM 1907 O LEU B 37 3.355 -4.450 8.250 1.00 0.00 O ATOM 1908 CB LEU B 37 0.640 -3.321 8.808 1.00 0.00 C ATOM 1909 CG LEU B 37 0.745 -1.979 9.531 1.00 0.00 C ATOM 1910 CD1 LEU B 37 2.129 -1.736 10.068 1.00 0.00 C ATOM 1911 CD2 LEU B 37 0.300 -0.862 8.632 1.00 0.00 C ATOM 0 H LEU B 37 0.671 -5.399 7.574 1.00 0.00 H new ATOM 0 HA LEU B 37 1.062 -2.618 6.851 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -0.419 -3.538 8.665 1.00 0.00 H new ATOM 0 HB3 LEU B 37 1.035 -4.088 9.475 1.00 0.00 H new ATOM 0 HG LEU B 37 0.077 -2.012 10.392 1.00 0.00 H new ATOM 0 HD11 LEU B 37 2.159 -0.771 10.574 1.00 0.00 H new ATOM 0 HD12 LEU B 37 2.389 -2.524 10.774 1.00 0.00 H new ATOM 0 HD13 LEU B 37 2.844 -1.736 9.245 1.00 0.00 H new ATOM 0 HD21 LEU B 37 0.381 0.087 9.163 1.00 0.00 H new ATOM 0 HD22 LEU B 37 0.932 -0.836 7.744 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -0.736 -1.024 8.336 1.00 0.00 H new ATOM 1923 N VAL B 38 3.466 -2.624 7.047 1.00 0.00 N ATOM 1924 CA VAL B 38 4.924 -2.600 7.007 1.00 0.00 C ATOM 1925 C VAL B 38 5.400 -1.181 7.220 1.00 0.00 C ATOM 1926 O VAL B 38 4.973 -0.294 6.507 1.00 0.00 O ATOM 1927 CB VAL B 38 5.496 -3.117 5.631 1.00 0.00 C ATOM 1928 CG1 VAL B 38 7.021 -3.088 5.622 1.00 0.00 C ATOM 1929 CG2 VAL B 38 5.005 -4.524 5.297 1.00 0.00 C ATOM 0 H VAL B 38 3.023 -1.830 6.585 1.00 0.00 H new ATOM 0 HA VAL B 38 5.284 -3.264 7.793 1.00 0.00 H new ATOM 0 HB VAL B 38 5.123 -2.437 4.865 1.00 0.00 H new ATOM 0 HG11 VAL B 38 7.386 -3.450 4.661 1.00 0.00 H new ATOM 0 HG12 VAL B 38 7.366 -2.066 5.780 1.00 0.00 H new ATOM 0 HG13 VAL B 38 7.402 -3.727 6.419 1.00 0.00 H new ATOM 0 HG21 VAL B 38 5.424 -4.838 4.341 1.00 0.00 H new ATOM 0 HG22 VAL B 38 5.323 -5.215 6.078 1.00 0.00 H new ATOM 0 HG23 VAL B 38 3.917 -4.524 5.233 1.00 0.00 H new ATOM 1939 N ASP B 39 6.219 -0.964 8.258 1.00 0.00 N ATOM 1940 CA ASP B 39 6.848 0.367 8.549 1.00 0.00 C ATOM 1941 C ASP B 39 5.776 1.418 8.892 1.00 0.00 C ATOM 1942 O ASP B 39 6.006 2.623 8.848 1.00 0.00 O ATOM 1943 CB ASP B 39 7.725 0.820 7.336 1.00 0.00 C ATOM 1944 CG ASP B 39 8.556 2.073 7.580 1.00 0.00 C ATOM 1945 OD1 ASP B 39 9.438 2.044 8.463 1.00 0.00 O ATOM 1946 OD2 ASP B 39 8.401 3.080 6.851 1.00 0.00 O ATOM 0 H ASP B 39 6.474 -1.691 8.927 1.00 0.00 H new ATOM 0 HA ASP B 39 7.495 0.268 9.421 1.00 0.00 H new ATOM 0 HB2 ASP B 39 8.395 0.004 7.066 1.00 0.00 H new ATOM 0 HB3 ASP B 39 7.073 0.994 6.480 1.00 0.00 H new ATOM 1951 N GLY B 40 4.621 0.938 9.308 1.00 0.00 N ATOM 1952 CA GLY B 40 3.508 1.821 9.608 1.00 0.00 C ATOM 1953 C GLY B 40 2.856 2.329 8.340 1.00 0.00 C ATOM 1954 O GLY B 40 2.255 3.382 8.317 1.00 0.00 O ATOM 0 H GLY B 40 4.427 -0.054 9.446 1.00 0.00 H new ATOM 0 HA2 GLY B 40 2.772 1.290 10.211 1.00 0.00 H new ATOM 0 HA3 GLY B 40 3.859 2.664 10.203 1.00 0.00 H new ATOM 1958 N LYS B 41 3.016 1.590 7.280 1.00 0.00 N ATOM 1959 CA LYS B 41 2.477 1.925 6.008 1.00 0.00 C ATOM 1960 C LYS B 41 1.617 0.766 5.534 1.00 0.00 C ATOM 1961 O LYS B 41 1.936 -0.404 5.822 1.00 0.00 O ATOM 1962 CB LYS B 41 3.660 2.094 5.105 1.00 0.00 C ATOM 1963 CG LYS B 41 3.399 2.506 3.690 1.00 0.00 C ATOM 1964 CD LYS B 41 4.703 2.463 2.918 1.00 0.00 C ATOM 1965 CE LYS B 41 5.796 3.324 3.558 1.00 0.00 C ATOM 1966 NZ LYS B 41 5.402 4.739 3.738 1.00 0.00 N ATOM 0 H LYS B 41 3.541 0.715 7.284 1.00 0.00 H new ATOM 0 HA LYS B 41 1.864 2.826 6.028 1.00 0.00 H new ATOM 0 HB2 LYS B 41 4.322 2.835 5.554 1.00 0.00 H new ATOM 0 HB3 LYS B 41 4.205 1.150 5.085 1.00 0.00 H new ATOM 0 HG2 LYS B 41 2.668 1.840 3.232 1.00 0.00 H new ATOM 0 HG3 LYS B 41 2.977 3.511 3.662 1.00 0.00 H new ATOM 0 HD2 LYS B 41 5.049 1.431 2.854 1.00 0.00 H new ATOM 0 HD3 LYS B 41 4.528 2.804 1.898 1.00 0.00 H new ATOM 0 HE2 LYS B 41 6.059 2.902 4.528 1.00 0.00 H new ATOM 0 HE3 LYS B 41 6.692 3.280 2.938 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 6.159 5.249 4.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 5.244 5.176 2.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 4.526 4.787 4.297 1.00 0.00 H new ATOM 1980 N LEU B 42 0.539 1.064 4.851 1.00 0.00 N ATOM 1981 CA LEU B 42 -0.328 0.037 4.341 1.00 0.00 C ATOM 1982 C LEU B 42 0.136 -0.432 3.013 1.00 0.00 C ATOM 1983 O LEU B 42 0.153 0.321 2.028 1.00 0.00 O ATOM 1984 CB LEU B 42 -1.775 0.490 4.279 1.00 0.00 C ATOM 1985 CG LEU B 42 -2.465 0.606 5.614 1.00 0.00 C ATOM 1986 CD1 LEU B 42 -3.782 1.349 5.470 1.00 0.00 C ATOM 1987 CD2 LEU B 42 -2.720 -0.772 6.209 1.00 0.00 C ATOM 0 H LEU B 42 0.242 2.016 4.636 1.00 0.00 H new ATOM 0 HA LEU B 42 -0.283 -0.799 5.039 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -1.815 1.459 3.781 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.333 -0.211 3.658 1.00 0.00 H new ATOM 0 HG LEU B 42 -1.811 1.165 6.283 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -4.266 1.423 6.444 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -3.595 2.350 5.081 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -4.432 0.808 4.782 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.219 -0.666 7.172 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -3.353 -1.348 5.534 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -1.771 -1.290 6.347 1.00 0.00 H new ATOM 1999 N ILE B 43 0.535 -1.644 2.995 1.00 0.00 N ATOM 2000 CA ILE B 43 0.996 -2.272 1.802 1.00 0.00 C ATOM 2001 C ILE B 43 -0.090 -3.157 1.283 1.00 0.00 C ATOM 2002 O ILE B 43 -0.440 -4.178 1.888 1.00 0.00 O ATOM 2003 CB ILE B 43 2.255 -3.116 2.036 1.00 0.00 C ATOM 2004 CG1 ILE B 43 3.377 -2.281 2.654 1.00 0.00 C ATOM 2005 CG2 ILE B 43 2.713 -3.788 0.745 1.00 0.00 C ATOM 2006 CD1 ILE B 43 3.882 -1.143 1.790 1.00 0.00 C ATOM 0 H ILE B 43 0.554 -2.246 3.818 1.00 0.00 H new ATOM 0 HA ILE B 43 1.252 -1.490 1.087 1.00 0.00 H new ATOM 0 HB ILE B 43 2.000 -3.901 2.748 1.00 0.00 H new ATOM 0 HG12 ILE B 43 3.024 -1.870 3.600 1.00 0.00 H new ATOM 0 HG13 ILE B 43 4.214 -2.940 2.886 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.607 -4.380 0.940 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.922 -4.439 0.373 1.00 0.00 H new ATOM 0 HG23 ILE B 43 2.938 -3.026 -0.002 1.00 0.00 H new ATOM 0 HD11 ILE B 43 4.675 -0.612 2.316 1.00 0.00 H new ATOM 0 HD12 ILE B 43 4.271 -1.542 0.853 1.00 0.00 H new ATOM 0 HD13 ILE B 43 3.063 -0.455 1.579 1.00 0.00 H new ATOM 2018 N ILE B 44 -0.643 -2.750 0.212 1.00 0.00 N ATOM 2019 CA ILE B 44 -1.678 -3.499 -0.427 1.00 0.00 C ATOM 2020 C ILE B 44 -1.103 -4.222 -1.626 1.00 0.00 C ATOM 2021 O ILE B 44 -0.737 -3.614 -2.650 1.00 0.00 O ATOM 2022 CB ILE B 44 -2.962 -2.650 -0.808 1.00 0.00 C ATOM 2023 CG1 ILE B 44 -3.828 -2.284 0.432 1.00 0.00 C ATOM 2024 CG2 ILE B 44 -3.843 -3.401 -1.812 1.00 0.00 C ATOM 2025 CD1 ILE B 44 -3.165 -1.444 1.500 1.00 0.00 C ATOM 0 H ILE B 44 -0.397 -1.881 -0.262 1.00 0.00 H new ATOM 0 HA ILE B 44 -2.045 -4.223 0.301 1.00 0.00 H new ATOM 0 HB ILE B 44 -2.587 -1.729 -1.253 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -4.714 -1.754 0.083 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -4.172 -3.210 0.892 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -4.716 -2.795 -2.055 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -3.273 -3.597 -2.720 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -4.167 -4.346 -1.376 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -3.872 -1.259 2.308 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -2.296 -1.973 1.892 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -2.848 -0.494 1.071 1.00 0.00 H new ATOM 2037 N GLU B 45 -0.956 -5.490 -1.450 1.00 0.00 N ATOM 2038 CA GLU B 45 -0.481 -6.380 -2.466 1.00 0.00 C ATOM 2039 C GLU B 45 -1.632 -7.265 -2.868 1.00 0.00 C ATOM 2040 O GLU B 45 -2.427 -7.667 -2.006 1.00 0.00 O ATOM 2041 CB GLU B 45 0.630 -7.272 -1.898 1.00 0.00 C ATOM 2042 CG GLU B 45 2.016 -6.666 -1.846 1.00 0.00 C ATOM 2043 CD GLU B 45 2.678 -6.644 -3.201 1.00 0.00 C ATOM 2044 OE1 GLU B 45 2.943 -7.732 -3.772 1.00 0.00 O ATOM 2045 OE2 GLU B 45 2.981 -5.559 -3.719 1.00 0.00 O ATOM 0 H GLU B 45 -1.169 -5.956 -0.568 1.00 0.00 H new ATOM 0 HA GLU B 45 -0.095 -5.811 -3.312 1.00 0.00 H new ATOM 0 HB2 GLU B 45 0.348 -7.568 -0.888 1.00 0.00 H new ATOM 0 HB3 GLU B 45 0.677 -8.182 -2.496 1.00 0.00 H new ATOM 0 HG2 GLU B 45 1.952 -5.649 -1.458 1.00 0.00 H new ATOM 0 HG3 GLU B 45 2.634 -7.234 -1.151 1.00 0.00 H new ATOM 2052 N PRO B 46 -1.756 -7.608 -4.140 1.00 0.00 N ATOM 2053 CA PRO B 46 -2.765 -8.491 -4.569 1.00 0.00 C ATOM 2054 C PRO B 46 -2.245 -9.891 -4.376 1.00 0.00 C ATOM 2055 O PRO B 46 -1.044 -10.084 -4.085 1.00 0.00 O ATOM 2056 CB PRO B 46 -2.926 -8.196 -6.057 1.00 0.00 C ATOM 2057 CG PRO B 46 -1.861 -7.236 -6.396 1.00 0.00 C ATOM 2058 CD PRO B 46 -0.893 -7.244 -5.243 1.00 0.00 C ATOM 0 HA PRO B 46 -3.708 -8.383 -4.034 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -2.833 -9.107 -6.648 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -3.910 -7.778 -6.268 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -1.363 -7.521 -7.322 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -2.273 -6.239 -6.550 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -0.088 -7.965 -5.389 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -0.426 -6.271 -5.094 1.00 0.00 H new ATOM 2066 N VAL B 47 -3.044 -10.850 -4.512 1.00 0.00 N ATOM 2067 CA VAL B 47 -2.516 -12.173 -4.355 1.00 0.00 C ATOM 2068 C VAL B 47 -2.468 -12.839 -5.684 1.00 0.00 C ATOM 2069 O VAL B 47 -3.519 -13.171 -6.280 1.00 0.00 O ATOM 2070 CB VAL B 47 -3.277 -13.058 -3.350 1.00 0.00 C ATOM 2071 CG1 VAL B 47 -2.534 -14.342 -3.108 1.00 0.00 C ATOM 2072 CG2 VAL B 47 -3.469 -12.364 -2.043 1.00 0.00 C ATOM 0 H VAL B 47 -4.039 -10.780 -4.725 1.00 0.00 H new ATOM 0 HA VAL B 47 -1.518 -12.054 -3.933 1.00 0.00 H new ATOM 0 HB VAL B 47 -4.253 -13.269 -3.787 1.00 0.00 H new ATOM 0 HG11 VAL B 47 -3.087 -14.954 -2.395 1.00 0.00 H new ATOM 0 HG12 VAL B 47 -2.429 -14.885 -4.048 1.00 0.00 H new ATOM 0 HG13 VAL B 47 -1.546 -14.120 -2.705 1.00 0.00 H new ATOM 0 HG21 VAL B 47 -4.009 -13.019 -1.359 1.00 0.00 H new ATOM 0 HG22 VAL B 47 -2.497 -12.117 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL B 47 -4.041 -11.449 -2.197 1.00 0.00 H new