USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 LYS NZ :NH3+ -157:sc= -0.1 (180deg=-0.504) USER MOD Set 1.2: A 106 ASN : amide:sc= -3.02! C(o=-3.1!,f=-1.8!) USER MOD Set 2.1: A 48 ASN : amide:sc= -0.761 K(o=-3.7,f=-6.7!) USER MOD Set 2.2: A 79 GLN : amide:sc= -2.97! K(o=-3.7!,f=-2) USER MOD Single : A 30 SER OG : rot 77:sc= 0.00474 USER MOD Single : A 32 SER OG : rot -61:sc= 1.1 USER MOD Single : A 33 ASN : amide:sc= -9.2! C(o=-9.2!,f=-4.4!) USER MOD Single : A 50 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.047) USER MOD Single : A 60 LYS NZ :NH3+ 133:sc= -0.0315 (180deg=-0.311) USER MOD Single : A 66 SER OG : rot 99:sc= 1.04 USER MOD Single : A 71 SER OG : rot 90:sc= 0.467 USER MOD Single : A 76 SER OG : rot 71:sc= 0.867 USER MOD Single : A 89 MET CE :methyl -155:sc= -1.19 (180deg=-3.36!) USER MOD Single : A 91 LYS NZ :NH3+ -168:sc= -0.0547 (180deg=-0.306) USER MOD Single : A 95 THR OG1 : rot -70:sc= 0.00198 USER MOD Single : A 97 THR OG1 : rot 68:sc= 0.236 USER MOD Single : A 107 TYR OH : rot -150:sc= -2.03! USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 347 N ALA A 23 -11.049 0.451 5.999 1.00 0.00 N ATOM 348 CA ALA A 23 -11.317 -0.921 5.595 1.00 0.00 C ATOM 349 C ALA A 23 -10.021 -1.709 5.461 1.00 0.00 C ATOM 350 O ALA A 23 -10.014 -2.830 4.953 1.00 0.00 O ATOM 351 CB ALA A 23 -12.094 -0.948 4.288 1.00 0.00 C ATOM 0 HA ALA A 23 -11.923 -1.392 6.369 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.286 -1.982 4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.042 -0.425 4.417 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.512 -0.456 3.508 1.00 0.00 H new ATOM 357 N PHE A 24 -8.925 -1.113 5.918 1.00 0.00 N ATOM 358 CA PHE A 24 -7.621 -1.752 5.846 1.00 0.00 C ATOM 359 C PHE A 24 -7.576 -3.053 6.645 1.00 0.00 C ATOM 360 O PHE A 24 -7.002 -4.042 6.191 1.00 0.00 O ATOM 361 CB PHE A 24 -6.538 -0.803 6.346 1.00 0.00 C ATOM 362 CG PHE A 24 -5.188 -1.135 5.794 1.00 0.00 C ATOM 363 CD1 PHE A 24 -4.523 -2.276 6.207 1.00 0.00 C ATOM 364 CD2 PHE A 24 -4.594 -0.318 4.850 1.00 0.00 C ATOM 365 CE1 PHE A 24 -3.287 -2.596 5.690 1.00 0.00 C ATOM 366 CE2 PHE A 24 -3.359 -0.633 4.327 1.00 0.00 C ATOM 367 CZ PHE A 24 -2.704 -1.774 4.747 1.00 0.00 C ATOM 0 H PHE A 24 -8.917 -0.186 6.343 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.439 -1.996 4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.799 0.219 6.070 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.501 -0.840 7.435 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.978 -2.923 6.943 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.103 0.575 4.520 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.776 -3.488 6.022 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.904 0.011 3.590 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.736 -2.023 4.338 1.00 0.00 H new ATOM 377 N GLU A 25 -8.163 -3.054 7.838 1.00 0.00 N ATOM 378 CA GLU A 25 -8.157 -4.256 8.670 1.00 0.00 C ATOM 379 C GLU A 25 -8.832 -5.431 7.958 1.00 0.00 C ATOM 380 O GLU A 25 -8.238 -6.497 7.856 1.00 0.00 O ATOM 381 CB GLU A 25 -8.833 -4.034 10.017 1.00 0.00 C ATOM 382 CG GLU A 25 -9.379 -2.629 10.228 1.00 0.00 C ATOM 383 CD GLU A 25 -10.154 -2.494 11.524 1.00 0.00 C ATOM 384 OE1 GLU A 25 -11.320 -2.938 11.568 1.00 0.00 O ATOM 385 OE2 GLU A 25 -9.595 -1.943 12.495 1.00 0.00 O ATOM 0 H GLU A 25 -8.642 -2.251 8.247 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.108 -4.493 8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.651 -4.747 10.120 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.117 -4.254 10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.553 -1.918 10.227 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.027 -2.366 9.392 1.00 0.00 H new ATOM 392 N PRO A 26 -10.095 -5.278 7.485 1.00 0.00 N ATOM 393 CA PRO A 26 -10.789 -6.352 6.770 1.00 0.00 C ATOM 394 C PRO A 26 -9.901 -6.944 5.689 1.00 0.00 C ATOM 395 O PRO A 26 -10.043 -8.104 5.299 1.00 0.00 O ATOM 396 CB PRO A 26 -11.993 -5.655 6.136 1.00 0.00 C ATOM 397 CG PRO A 26 -12.240 -4.443 6.968 1.00 0.00 C ATOM 398 CD PRO A 26 -10.934 -4.072 7.622 1.00 0.00 C ATOM 0 HA PRO A 26 -11.068 -7.175 7.428 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.788 -5.384 5.100 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.865 -6.309 6.128 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.607 -3.623 6.352 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.003 -4.643 7.720 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.476 -3.212 7.133 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.077 -3.805 8.669 1.00 0.00 H new ATOM 406 N LEU A 27 -8.981 -6.116 5.216 1.00 0.00 N ATOM 407 CA LEU A 27 -8.031 -6.492 4.191 1.00 0.00 C ATOM 408 C LEU A 27 -6.888 -7.286 4.818 1.00 0.00 C ATOM 409 O LEU A 27 -6.358 -8.224 4.223 1.00 0.00 O ATOM 410 CB LEU A 27 -7.527 -5.208 3.530 1.00 0.00 C ATOM 411 CG LEU A 27 -6.046 -5.181 3.155 1.00 0.00 C ATOM 412 CD1 LEU A 27 -5.786 -6.043 1.929 1.00 0.00 C ATOM 413 CD2 LEU A 27 -5.592 -3.749 2.913 1.00 0.00 C ATOM 0 H LEU A 27 -8.876 -5.154 5.540 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.494 -7.128 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.113 -5.034 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.725 -4.375 4.204 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.470 -5.592 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.726 -6.010 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.077 -7.072 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.369 -5.666 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.535 -3.742 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.174 -3.315 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.741 -3.162 3.819 1.00 0.00 H new ATOM 425 N LEU A 28 -6.522 -6.885 6.031 1.00 0.00 N ATOM 426 CA LEU A 28 -5.464 -7.540 6.789 1.00 0.00 C ATOM 427 C LEU A 28 -5.971 -8.847 7.392 1.00 0.00 C ATOM 428 O LEU A 28 -5.193 -9.762 7.668 1.00 0.00 O ATOM 429 CB LEU A 28 -4.978 -6.600 7.899 1.00 0.00 C ATOM 430 CG LEU A 28 -4.260 -7.271 9.075 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.858 -7.701 8.677 1.00 0.00 C ATOM 432 CD2 LEU A 28 -4.218 -6.333 10.271 1.00 0.00 C ATOM 0 H LEU A 28 -6.951 -6.097 6.516 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.635 -7.770 6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.304 -5.866 7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.837 -6.052 8.287 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.818 -8.164 9.356 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.368 -8.175 9.527 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.916 -8.409 7.850 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.284 -6.828 8.367 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.705 -6.822 11.099 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.684 -5.422 10.001 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.235 -6.081 10.572 1.00 0.00 H new ATOM 444 N GLU A 29 -7.283 -8.926 7.588 1.00 0.00 N ATOM 445 CA GLU A 29 -7.903 -10.108 8.166 1.00 0.00 C ATOM 446 C GLU A 29 -7.826 -11.289 7.203 1.00 0.00 C ATOM 447 O GLU A 29 -7.532 -12.416 7.603 1.00 0.00 O ATOM 448 CB GLU A 29 -9.364 -9.824 8.520 1.00 0.00 C ATOM 449 CG GLU A 29 -9.531 -8.873 9.693 1.00 0.00 C ATOM 450 CD GLU A 29 -10.984 -8.652 10.062 1.00 0.00 C ATOM 451 OE1 GLU A 29 -11.529 -9.461 10.842 1.00 0.00 O ATOM 452 OE2 GLU A 29 -11.579 -7.668 9.573 1.00 0.00 O ATOM 0 H GLU A 29 -7.938 -8.180 7.353 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.358 -10.364 9.075 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.865 -9.404 7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.863 -10.765 8.752 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.997 -9.270 10.556 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.073 -7.915 9.447 1.00 0.00 H new ATOM 459 N SER A 30 -8.091 -11.014 5.928 1.00 0.00 N ATOM 460 CA SER A 30 -8.065 -12.045 4.895 1.00 0.00 C ATOM 461 C SER A 30 -6.653 -12.585 4.676 1.00 0.00 C ATOM 462 O SER A 30 -6.472 -13.612 4.023 1.00 0.00 O ATOM 463 CB SER A 30 -8.614 -11.485 3.581 1.00 0.00 C ATOM 464 OG SER A 30 -9.957 -11.056 3.733 1.00 0.00 O ATOM 0 H SER A 30 -8.327 -10.083 5.585 1.00 0.00 H new ATOM 0 HA SER A 30 -8.693 -12.869 5.233 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.997 -10.649 3.252 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.558 -12.248 2.805 1.00 0.00 H new ATOM 0 HG SER A 30 -9.974 -10.191 4.194 1.00 0.00 H new ATOM 470 N LEU A 31 -5.658 -11.893 5.222 1.00 0.00 N ATOM 471 CA LEU A 31 -4.267 -12.314 5.075 1.00 0.00 C ATOM 472 C LEU A 31 -3.994 -13.602 5.848 1.00 0.00 C ATOM 473 O LEU A 31 -2.915 -14.183 5.739 1.00 0.00 O ATOM 474 CB LEU A 31 -3.318 -11.209 5.550 1.00 0.00 C ATOM 475 CG LEU A 31 -3.269 -9.962 4.662 1.00 0.00 C ATOM 476 CD1 LEU A 31 -2.351 -8.913 5.269 1.00 0.00 C ATOM 477 CD2 LEU A 31 -2.808 -10.319 3.258 1.00 0.00 C ATOM 0 H LEU A 31 -5.787 -11.041 5.768 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.089 -12.505 4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.612 -10.908 6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.312 -11.623 5.623 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.276 -9.549 4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.328 -8.034 4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.722 -8.632 6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.344 -9.321 5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.780 -9.419 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.811 -10.758 3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.501 -11.036 2.819 1.00 0.00 H new ATOM 489 N SER A 32 -4.978 -14.042 6.627 1.00 0.00 N ATOM 490 CA SER A 32 -4.839 -15.261 7.418 1.00 0.00 C ATOM 491 C SER A 32 -5.728 -16.374 6.870 1.00 0.00 C ATOM 492 O SER A 32 -5.860 -17.433 7.483 1.00 0.00 O ATOM 493 CB SER A 32 -5.190 -14.986 8.881 1.00 0.00 C ATOM 494 OG SER A 32 -6.532 -14.546 9.009 1.00 0.00 O ATOM 0 H SER A 32 -5.879 -13.574 6.727 1.00 0.00 H new ATOM 0 HA SER A 32 -3.801 -15.588 7.354 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.043 -15.891 9.470 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.516 -14.230 9.284 1.00 0.00 H new ATOM 0 HG SER A 32 -6.651 -13.710 8.511 1.00 0.00 H new ATOM 500 N ASN A 33 -6.332 -16.128 5.710 1.00 0.00 N ATOM 501 CA ASN A 33 -7.211 -17.111 5.083 1.00 0.00 C ATOM 502 C ASN A 33 -6.420 -18.331 4.617 1.00 0.00 C ATOM 503 O ASN A 33 -5.241 -18.227 4.278 1.00 0.00 O ATOM 504 CB ASN A 33 -7.957 -16.488 3.901 1.00 0.00 C ATOM 505 CG ASN A 33 -7.071 -16.292 2.685 1.00 0.00 C ATOM 506 OD1 ASN A 33 -7.529 -16.408 1.549 1.00 0.00 O ATOM 507 ND2 ASN A 33 -5.800 -15.991 2.915 1.00 0.00 N ATOM 0 H ASN A 33 -6.229 -15.259 5.186 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.938 -17.434 5.828 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.800 -17.125 3.632 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -8.369 -15.525 4.204 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.161 -15.846 2.133 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.462 -15.904 3.873 1.00 0.00 H new ATOM 514 N GLU A 34 -7.076 -19.487 4.607 1.00 0.00 N ATOM 515 CA GLU A 34 -6.443 -20.727 4.188 1.00 0.00 C ATOM 516 C GLU A 34 -6.040 -20.675 2.716 1.00 0.00 C ATOM 517 O GLU A 34 -5.055 -21.292 2.311 1.00 0.00 O ATOM 518 CB GLU A 34 -7.393 -21.898 4.431 1.00 0.00 C ATOM 519 CG GLU A 34 -6.743 -23.252 4.228 1.00 0.00 C ATOM 520 CD GLU A 34 -7.694 -24.403 4.492 1.00 0.00 C ATOM 521 OE1 GLU A 34 -7.769 -24.858 5.653 1.00 0.00 O ATOM 522 OE2 GLU A 34 -8.365 -24.849 3.537 1.00 0.00 O ATOM 0 H GLU A 34 -8.052 -19.588 4.887 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.537 -20.864 4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.780 -21.838 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.247 -21.809 3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.370 -23.322 3.206 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.881 -23.339 4.889 1.00 0.00 H new ATOM 529 N ASP A 35 -6.807 -19.935 1.921 1.00 0.00 N ATOM 530 CA ASP A 35 -6.530 -19.803 0.492 1.00 0.00 C ATOM 531 C ASP A 35 -5.360 -18.854 0.245 1.00 0.00 C ATOM 532 O ASP A 35 -5.104 -17.950 1.040 1.00 0.00 O ATOM 533 CB ASP A 35 -7.775 -19.298 -0.241 1.00 0.00 C ATOM 534 CG ASP A 35 -8.919 -20.292 -0.191 1.00 0.00 C ATOM 535 OD1 ASP A 35 -9.637 -20.319 0.831 1.00 0.00 O ATOM 536 OD2 ASP A 35 -9.096 -21.043 -1.172 1.00 0.00 O ATOM 0 H ASP A 35 -7.625 -19.417 2.241 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.260 -20.786 0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.097 -18.356 0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.522 -19.091 -1.281 1.00 0.00 H new ATOM 541 N TRP A 36 -4.653 -19.067 -0.863 1.00 0.00 N ATOM 542 CA TRP A 36 -3.511 -18.228 -1.214 1.00 0.00 C ATOM 543 C TRP A 36 -3.891 -17.194 -2.270 1.00 0.00 C ATOM 544 O TRP A 36 -3.364 -16.081 -2.277 1.00 0.00 O ATOM 545 CB TRP A 36 -2.347 -19.089 -1.715 1.00 0.00 C ATOM 546 CG TRP A 36 -2.755 -20.124 -2.718 1.00 0.00 C ATOM 547 CD1 TRP A 36 -3.002 -19.928 -4.046 1.00 0.00 C ATOM 548 CD2 TRP A 36 -2.960 -21.520 -2.473 1.00 0.00 C ATOM 549 NE1 TRP A 36 -3.351 -21.117 -4.641 1.00 0.00 N ATOM 550 CE2 TRP A 36 -3.331 -22.107 -3.697 1.00 0.00 C ATOM 551 CE3 TRP A 36 -2.866 -22.331 -1.339 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -3.608 -23.465 -3.819 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -3.140 -23.680 -1.462 1.00 0.00 C ATOM 554 CH2 TRP A 36 -3.507 -24.234 -2.695 1.00 0.00 C ATOM 0 H TRP A 36 -4.851 -19.812 -1.531 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.197 -17.698 -0.315 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.592 -18.441 -2.161 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.880 -19.584 -0.864 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.933 -18.978 -4.555 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.586 -21.241 -5.626 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.585 -21.912 -0.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.892 -23.895 -4.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.070 -24.318 -0.593 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.715 -25.292 -2.758 1.00 0.00 H new ATOM 565 N ARG A 37 -4.806 -17.567 -3.164 1.00 0.00 N ATOM 566 CA ARG A 37 -5.256 -16.667 -4.216 1.00 0.00 C ATOM 567 C ARG A 37 -5.850 -15.398 -3.613 1.00 0.00 C ATOM 568 O ARG A 37 -5.480 -14.287 -3.993 1.00 0.00 O ATOM 569 CB ARG A 37 -6.287 -17.365 -5.104 1.00 0.00 C ATOM 570 CG ARG A 37 -6.717 -16.532 -6.298 1.00 0.00 C ATOM 571 CD ARG A 37 -7.759 -17.252 -7.140 1.00 0.00 C ATOM 572 NE ARG A 37 -8.181 -16.451 -8.288 1.00 0.00 N ATOM 573 CZ ARG A 37 -8.877 -16.936 -9.312 1.00 0.00 C ATOM 574 NH1 ARG A 37 -9.243 -18.210 -9.329 1.00 0.00 N ATOM 575 NH2 ARG A 37 -9.212 -16.142 -10.322 1.00 0.00 N ATOM 0 H ARG A 37 -5.248 -18.486 -3.178 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.397 -16.391 -4.828 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.871 -18.308 -5.459 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.165 -17.609 -4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.123 -15.581 -5.951 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.847 -16.302 -6.914 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.351 -18.200 -7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.626 -17.486 -6.522 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.927 -15.463 -8.304 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.991 -18.823 -8.554 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.777 -18.577 -10.117 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.935 -15.160 -10.312 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.746 -16.514 -11.108 1.00 0.00 H new ATOM 589 N ILE A 38 -6.776 -15.571 -2.673 1.00 0.00 N ATOM 590 CA ILE A 38 -7.411 -14.439 -2.010 1.00 0.00 C ATOM 591 C ILE A 38 -6.378 -13.634 -1.228 1.00 0.00 C ATOM 592 O ILE A 38 -6.419 -12.404 -1.207 1.00 0.00 O ATOM 593 CB ILE A 38 -8.529 -14.895 -1.052 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.592 -15.693 -1.813 1.00 0.00 C ATOM 595 CG2 ILE A 38 -9.155 -13.693 -0.356 1.00 0.00 C ATOM 596 CD1 ILE A 38 -10.650 -16.303 -0.917 1.00 0.00 C ATOM 0 H ILE A 38 -7.102 -16.484 -2.355 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.854 -13.816 -2.787 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.093 -15.543 -0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.075 -15.038 -2.538 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.103 -16.488 -2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.943 -14.032 0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.392 -13.165 0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.579 -13.021 -1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.369 -16.853 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.178 -16.984 -0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.166 -15.512 -0.372 1.00 0.00 H new ATOM 608 N ARG A 39 -5.453 -14.342 -0.583 1.00 0.00 N ATOM 609 CA ARG A 39 -4.400 -13.699 0.194 1.00 0.00 C ATOM 610 C ARG A 39 -3.527 -12.840 -0.714 1.00 0.00 C ATOM 611 O ARG A 39 -2.875 -11.900 -0.262 1.00 0.00 O ATOM 612 CB ARG A 39 -3.546 -14.751 0.906 1.00 0.00 C ATOM 613 CG ARG A 39 -3.190 -14.384 2.339 1.00 0.00 C ATOM 614 CD ARG A 39 -1.950 -13.507 2.408 1.00 0.00 C ATOM 615 NE ARG A 39 -0.741 -14.233 2.027 1.00 0.00 N ATOM 616 CZ ARG A 39 0.423 -14.111 2.661 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.529 -13.316 3.717 1.00 0.00 N ATOM 618 NH2 ARG A 39 1.482 -14.788 2.239 1.00 0.00 N ATOM 0 H ARG A 39 -5.413 -15.361 -0.584 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.863 -13.059 0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.081 -15.701 0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.627 -14.903 0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.029 -13.863 2.800 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.024 -15.294 2.916 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.078 -12.647 1.751 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.836 -13.120 3.421 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.792 -14.869 1.231 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.283 -12.795 4.047 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.423 -13.226 4.200 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.405 -15.402 1.428 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.374 -14.694 2.725 1.00 0.00 H new ATOM 632 N GLY A 40 -3.524 -13.177 -2.002 1.00 0.00 N ATOM 633 CA GLY A 40 -2.739 -12.429 -2.965 1.00 0.00 C ATOM 634 C GLY A 40 -3.331 -11.063 -3.242 1.00 0.00 C ATOM 635 O GLY A 40 -2.679 -10.044 -3.020 1.00 0.00 O ATOM 0 H GLY A 40 -4.053 -13.956 -2.394 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.721 -12.314 -2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.675 -12.992 -3.896 1.00 0.00 H new ATOM 639 N ALA A 41 -4.572 -11.045 -3.729 1.00 0.00 N ATOM 640 CA ALA A 41 -5.266 -9.798 -4.030 1.00 0.00 C ATOM 641 C ALA A 41 -5.097 -8.797 -2.893 1.00 0.00 C ATOM 642 O ALA A 41 -4.981 -7.594 -3.124 1.00 0.00 O ATOM 643 CB ALA A 41 -6.740 -10.062 -4.288 1.00 0.00 C ATOM 0 H ALA A 41 -5.117 -11.885 -3.923 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.825 -9.370 -4.930 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.244 -9.122 -4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.845 -10.740 -5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.189 -10.514 -3.403 1.00 0.00 H new ATOM 649 N ALA A 42 -5.084 -9.306 -1.664 1.00 0.00 N ATOM 650 CA ALA A 42 -4.915 -8.461 -0.491 1.00 0.00 C ATOM 651 C ALA A 42 -3.601 -7.696 -0.577 1.00 0.00 C ATOM 652 O ALA A 42 -3.564 -6.483 -0.379 1.00 0.00 O ATOM 653 CB ALA A 42 -4.966 -9.299 0.777 1.00 0.00 C ATOM 0 H ALA A 42 -5.189 -10.299 -1.457 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.732 -7.740 -0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.838 -8.653 1.646 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.929 -9.805 0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.167 -10.040 0.756 1.00 0.00 H new ATOM 659 N ALA A 43 -2.524 -8.418 -0.875 1.00 0.00 N ATOM 660 CA ALA A 43 -1.205 -7.812 -1.016 1.00 0.00 C ATOM 661 C ALA A 43 -1.183 -6.885 -2.224 1.00 0.00 C ATOM 662 O ALA A 43 -0.462 -5.887 -2.250 1.00 0.00 O ATOM 663 CB ALA A 43 -0.150 -8.894 -1.176 1.00 0.00 C ATOM 0 H ALA A 43 -2.540 -9.427 -1.024 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.986 -7.232 -0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.832 -8.432 -1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.155 -9.540 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.369 -9.487 -2.064 1.00 0.00 H new ATOM 669 N TRP A 44 -1.988 -7.233 -3.223 1.00 0.00 N ATOM 670 CA TRP A 44 -2.082 -6.461 -4.456 1.00 0.00 C ATOM 671 C TRP A 44 -2.732 -5.099 -4.216 1.00 0.00 C ATOM 672 O TRP A 44 -2.401 -4.120 -4.884 1.00 0.00 O ATOM 673 CB TRP A 44 -2.882 -7.246 -5.499 1.00 0.00 C ATOM 674 CG TRP A 44 -2.052 -8.226 -6.272 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.497 -9.380 -5.801 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.685 -8.138 -7.653 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.800 -10.010 -6.802 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.902 -9.270 -7.950 1.00 0.00 C ATOM 679 CE3 TRP A 44 -1.941 -7.213 -8.669 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.373 -9.501 -9.216 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.415 -7.443 -9.927 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.641 -8.580 -10.191 1.00 0.00 C ATOM 0 H TRP A 44 -2.591 -8.055 -3.201 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.071 -6.288 -4.824 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.690 -7.780 -4.999 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.345 -6.545 -6.194 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.592 -9.745 -4.789 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.289 -10.887 -6.706 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.539 -6.335 -8.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.227 -10.375 -9.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.604 -6.734 -10.719 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.248 -8.733 -11.185 1.00 0.00 H new ATOM 693 N ILE A 45 -3.658 -5.043 -3.262 1.00 0.00 N ATOM 694 CA ILE A 45 -4.363 -3.803 -2.949 1.00 0.00 C ATOM 695 C ILE A 45 -3.759 -3.107 -1.731 1.00 0.00 C ATOM 696 O ILE A 45 -3.948 -1.906 -1.533 1.00 0.00 O ATOM 697 CB ILE A 45 -5.861 -4.069 -2.686 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.448 -4.934 -3.803 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.626 -2.757 -2.571 1.00 0.00 C ATOM 700 CD1 ILE A 45 -7.769 -5.579 -3.441 1.00 0.00 C ATOM 0 H ILE A 45 -3.938 -5.842 -2.692 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.257 -3.152 -3.817 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.957 -4.605 -1.742 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.585 -4.319 -4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.732 -5.714 -4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.680 -2.965 -2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.221 -2.171 -1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.525 -2.194 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.124 -6.177 -4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.634 -6.221 -2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.501 -4.805 -3.211 1.00 0.00 H new ATOM 712 N ILE A 46 -3.023 -3.864 -0.926 1.00 0.00 N ATOM 713 CA ILE A 46 -2.408 -3.329 0.285 1.00 0.00 C ATOM 714 C ILE A 46 -1.432 -2.191 -0.026 1.00 0.00 C ATOM 715 O ILE A 46 -1.392 -1.190 0.687 1.00 0.00 O ATOM 716 CB ILE A 46 -1.694 -4.447 1.088 1.00 0.00 C ATOM 717 CG1 ILE A 46 -1.894 -4.232 2.587 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.208 -4.513 0.757 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.117 -5.520 3.352 1.00 0.00 C ATOM 0 H ILE A 46 -2.837 -4.853 -1.090 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.212 -2.920 0.897 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.140 -5.399 0.801 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.020 -3.722 2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.748 -3.573 2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.259 -5.308 1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.081 -4.718 -0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.262 -3.560 1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.252 -5.296 4.410 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.007 -6.020 2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.253 -6.172 3.227 1.00 0.00 H new ATOM 731 N GLY A 47 -0.659 -2.343 -1.098 1.00 0.00 N ATOM 732 CA GLY A 47 0.306 -1.321 -1.466 1.00 0.00 C ATOM 733 C GLY A 47 -0.339 -0.069 -2.026 1.00 0.00 C ATOM 734 O GLY A 47 0.249 1.012 -1.983 1.00 0.00 O ATOM 0 H GLY A 47 -0.683 -3.153 -1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.898 -1.057 -0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.995 -1.730 -2.205 1.00 0.00 H new ATOM 738 N ASN A 48 -1.551 -0.213 -2.550 1.00 0.00 N ATOM 739 CA ASN A 48 -2.276 0.912 -3.131 1.00 0.00 C ATOM 740 C ASN A 48 -2.746 1.895 -2.058 1.00 0.00 C ATOM 741 O ASN A 48 -3.406 2.888 -2.365 1.00 0.00 O ATOM 742 CB ASN A 48 -3.474 0.405 -3.937 1.00 0.00 C ATOM 743 CG ASN A 48 -3.069 -0.582 -5.017 1.00 0.00 C ATOM 744 OD1 ASN A 48 -2.099 -1.325 -4.865 1.00 0.00 O ATOM 745 ND2 ASN A 48 -3.811 -0.594 -6.118 1.00 0.00 N ATOM 0 H ASN A 48 -2.054 -1.100 -2.585 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.591 1.442 -3.793 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.187 -0.070 -3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.985 1.252 -4.396 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.585 -1.236 -6.878 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.607 0.038 -6.204 1.00 0.00 H new ATOM 752 N PHE A 49 -2.402 1.618 -0.801 1.00 0.00 N ATOM 753 CA PHE A 49 -2.797 2.486 0.306 1.00 0.00 C ATOM 754 C PHE A 49 -1.646 3.388 0.750 1.00 0.00 C ATOM 755 O PHE A 49 -1.874 4.485 1.261 1.00 0.00 O ATOM 756 CB PHE A 49 -3.288 1.651 1.491 1.00 0.00 C ATOM 757 CG PHE A 49 -4.655 1.060 1.292 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.792 1.813 1.539 1.00 0.00 C ATOM 759 CD2 PHE A 49 -4.804 -0.248 0.861 1.00 0.00 C ATOM 760 CE1 PHE A 49 -7.051 1.272 1.359 1.00 0.00 C ATOM 761 CE2 PHE A 49 -6.061 -0.794 0.680 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.186 -0.033 0.929 1.00 0.00 C ATOM 0 H PHE A 49 -1.853 0.804 -0.525 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.609 3.121 -0.049 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.577 0.845 1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.299 2.276 2.384 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.693 2.834 1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.928 -0.848 0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.929 1.870 1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.163 -1.815 0.344 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.169 -0.458 0.788 1.00 0.00 H new ATOM 772 N GLN A 50 -0.413 2.922 0.555 1.00 0.00 N ATOM 773 CA GLN A 50 0.770 3.688 0.947 1.00 0.00 C ATOM 774 C GLN A 50 0.733 4.022 2.430 1.00 0.00 C ATOM 775 O GLN A 50 1.248 5.053 2.863 1.00 0.00 O ATOM 776 CB GLN A 50 0.875 4.975 0.129 1.00 0.00 C ATOM 777 CG GLN A 50 1.301 4.733 -1.304 1.00 0.00 C ATOM 778 CD GLN A 50 0.128 4.682 -2.262 1.00 0.00 C ATOM 779 OE1 GLN A 50 -0.426 3.617 -2.529 1.00 0.00 O ATOM 780 NE2 GLN A 50 -0.258 5.841 -2.786 1.00 0.00 N ATOM 0 H GLN A 50 -0.207 2.019 0.128 1.00 0.00 H new ATOM 0 HA GLN A 50 1.647 3.071 0.750 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.090 5.482 0.135 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.590 5.645 0.606 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.984 5.524 -1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.853 3.795 -1.361 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.230 6.701 -2.537 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.042 5.870 -3.437 1.00 0.00 H new ATOM 789 N ASP A 51 0.130 3.132 3.202 1.00 0.00 N ATOM 790 CA ASP A 51 0.012 3.321 4.642 1.00 0.00 C ATOM 791 C ASP A 51 1.026 2.465 5.394 1.00 0.00 C ATOM 792 O ASP A 51 1.587 1.519 4.840 1.00 0.00 O ATOM 793 CB ASP A 51 -1.407 2.977 5.100 1.00 0.00 C ATOM 794 CG ASP A 51 -1.691 3.449 6.512 1.00 0.00 C ATOM 795 OD1 ASP A 51 -2.064 4.630 6.679 1.00 0.00 O ATOM 796 OD2 ASP A 51 -1.541 2.640 7.451 1.00 0.00 O ATOM 0 H ASP A 51 -0.287 2.268 2.855 1.00 0.00 H new ATOM 0 HA ASP A 51 0.219 4.367 4.866 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.126 3.430 4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.552 1.898 5.045 1.00 0.00 H new ATOM 801 N GLU A 52 1.260 2.807 6.659 1.00 0.00 N ATOM 802 CA GLU A 52 2.202 2.069 7.494 1.00 0.00 C ATOM 803 C GLU A 52 1.750 0.623 7.662 1.00 0.00 C ATOM 804 O GLU A 52 2.567 -0.292 7.761 1.00 0.00 O ATOM 805 CB GLU A 52 2.326 2.738 8.864 1.00 0.00 C ATOM 806 CG GLU A 52 0.994 2.911 9.576 1.00 0.00 C ATOM 807 CD GLU A 52 1.142 3.532 10.950 1.00 0.00 C ATOM 808 OE1 GLU A 52 1.424 2.786 11.911 1.00 0.00 O ATOM 809 OE2 GLU A 52 0.976 4.765 11.066 1.00 0.00 O ATOM 0 H GLU A 52 0.809 3.592 7.128 1.00 0.00 H new ATOM 0 HA GLU A 52 3.176 2.075 7.004 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.990 2.143 9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.793 3.715 8.742 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.340 3.536 8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.509 1.940 9.671 1.00 0.00 H new ATOM 816 N ARG A 53 0.438 0.434 7.694 1.00 0.00 N ATOM 817 CA ARG A 53 -0.155 -0.888 7.843 1.00 0.00 C ATOM 818 C ARG A 53 0.102 -1.729 6.595 1.00 0.00 C ATOM 819 O ARG A 53 -0.023 -2.953 6.610 1.00 0.00 O ATOM 820 CB ARG A 53 -1.662 -0.742 8.062 1.00 0.00 C ATOM 821 CG ARG A 53 -2.274 -1.735 9.041 1.00 0.00 C ATOM 822 CD ARG A 53 -1.762 -3.155 8.845 1.00 0.00 C ATOM 823 NE ARG A 53 -1.999 -3.986 10.023 1.00 0.00 N ATOM 824 CZ ARG A 53 -1.198 -4.978 10.399 1.00 0.00 C ATOM 825 NH1 ARG A 53 -0.130 -5.284 9.673 1.00 0.00 N ATOM 826 NH2 ARG A 53 -1.466 -5.669 11.498 1.00 0.00 N ATOM 0 H ARG A 53 -0.243 1.189 7.618 1.00 0.00 H new ATOM 0 HA ARG A 53 0.297 -1.387 8.700 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.865 0.268 8.419 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.165 -0.847 7.101 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.057 -1.414 10.060 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.358 -1.727 8.929 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.253 -3.602 7.980 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.694 -3.129 8.627 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.826 -3.794 10.589 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.078 -4.758 8.824 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.483 -6.046 9.964 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.288 -5.440 12.057 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.850 -6.430 11.785 1.00 0.00 H new ATOM 840 N ALA A 54 0.474 -1.053 5.521 1.00 0.00 N ATOM 841 CA ALA A 54 0.739 -1.711 4.247 1.00 0.00 C ATOM 842 C ALA A 54 2.224 -1.968 4.076 1.00 0.00 C ATOM 843 O ALA A 54 2.651 -2.612 3.120 1.00 0.00 O ATOM 844 CB ALA A 54 0.220 -0.862 3.098 1.00 0.00 C ATOM 0 H ALA A 54 0.601 -0.041 5.504 1.00 0.00 H new ATOM 0 HA ALA A 54 0.219 -2.669 4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.424 -1.365 2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.855 -0.719 3.208 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.718 0.108 3.108 1.00 0.00 H new ATOM 850 N VAL A 55 3.002 -1.460 5.016 1.00 0.00 N ATOM 851 CA VAL A 55 4.442 -1.617 4.984 1.00 0.00 C ATOM 852 C VAL A 55 4.862 -3.023 5.406 1.00 0.00 C ATOM 853 O VAL A 55 5.695 -3.652 4.753 1.00 0.00 O ATOM 854 CB VAL A 55 5.121 -0.583 5.901 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.618 -0.797 5.927 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.789 0.830 5.449 1.00 0.00 C ATOM 0 H VAL A 55 2.655 -0.931 5.816 1.00 0.00 H new ATOM 0 HA VAL A 55 4.762 -1.455 3.955 1.00 0.00 H new ATOM 0 HB VAL A 55 4.739 -0.718 6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.080 -0.057 6.580 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.836 -1.797 6.301 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.018 -0.691 4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.277 1.547 6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.141 0.978 4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.710 0.980 5.486 1.00 0.00 H new ATOM 866 N GLU A 56 4.281 -3.510 6.498 1.00 0.00 N ATOM 867 CA GLU A 56 4.607 -4.840 7.011 1.00 0.00 C ATOM 868 C GLU A 56 4.296 -5.944 5.994 1.00 0.00 C ATOM 869 O GLU A 56 5.147 -6.793 5.727 1.00 0.00 O ATOM 870 CB GLU A 56 3.877 -5.108 8.329 1.00 0.00 C ATOM 871 CG GLU A 56 4.161 -6.485 8.908 1.00 0.00 C ATOM 872 CD GLU A 56 3.704 -6.620 10.347 1.00 0.00 C ATOM 873 OE1 GLU A 56 2.501 -6.874 10.567 1.00 0.00 O ATOM 874 OE2 GLU A 56 4.549 -6.473 11.255 1.00 0.00 O ATOM 0 H GLU A 56 3.583 -3.006 7.045 1.00 0.00 H new ATOM 0 HA GLU A 56 5.682 -4.857 7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.166 -4.350 9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.804 -5.004 8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.662 -7.240 8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.231 -6.685 8.851 1.00 0.00 H new ATOM 881 N PRO A 57 3.072 -5.961 5.416 1.00 0.00 N ATOM 882 CA PRO A 57 2.675 -6.980 4.438 1.00 0.00 C ATOM 883 C PRO A 57 3.752 -7.260 3.400 1.00 0.00 C ATOM 884 O PRO A 57 4.167 -8.403 3.218 1.00 0.00 O ATOM 885 CB PRO A 57 1.455 -6.355 3.769 1.00 0.00 C ATOM 886 CG PRO A 57 0.844 -5.507 4.829 1.00 0.00 C ATOM 887 CD PRO A 57 1.983 -4.995 5.669 1.00 0.00 C ATOM 0 HA PRO A 57 2.488 -7.943 4.913 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.739 -5.761 2.900 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.759 -7.118 3.420 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.282 -4.682 4.391 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.144 -6.084 5.433 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.270 -3.984 5.380 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.717 -4.961 6.725 1.00 0.00 H new ATOM 895 N LEU A 58 4.218 -6.209 2.740 1.00 0.00 N ATOM 896 CA LEU A 58 5.241 -6.348 1.712 1.00 0.00 C ATOM 897 C LEU A 58 6.471 -7.079 2.244 1.00 0.00 C ATOM 898 O LEU A 58 7.074 -7.883 1.539 1.00 0.00 O ATOM 899 CB LEU A 58 5.643 -4.971 1.172 1.00 0.00 C ATOM 900 CG LEU A 58 4.484 -3.996 0.935 1.00 0.00 C ATOM 901 CD1 LEU A 58 4.966 -2.762 0.188 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.350 -4.674 0.176 1.00 0.00 C ATOM 0 H LEU A 58 3.905 -5.251 2.898 1.00 0.00 H new ATOM 0 HA LEU A 58 4.819 -6.942 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.343 -4.515 1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.177 -5.109 0.232 1.00 0.00 H new ATOM 0 HG LEU A 58 4.101 -3.682 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.129 -2.082 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.735 -2.259 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.380 -3.059 -0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.540 -3.962 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.716 -5.024 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.982 -5.522 0.753 1.00 0.00 H new ATOM 914 N ILE A 59 6.828 -6.811 3.495 1.00 0.00 N ATOM 915 CA ILE A 59 7.999 -7.438 4.102 1.00 0.00 C ATOM 916 C ILE A 59 7.889 -8.965 4.132 1.00 0.00 C ATOM 917 O ILE A 59 8.707 -9.666 3.537 1.00 0.00 O ATOM 918 CB ILE A 59 8.222 -6.923 5.540 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.393 -5.399 5.548 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.431 -7.603 6.171 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.618 -4.913 4.798 1.00 0.00 C ATOM 0 H ILE A 59 6.327 -6.167 4.107 1.00 0.00 H new ATOM 0 HA ILE A 59 8.849 -7.165 3.477 1.00 0.00 H new ATOM 0 HB ILE A 59 7.342 -7.171 6.133 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.506 -4.942 5.110 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.452 -5.055 6.581 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.572 -7.227 7.184 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.267 -8.680 6.203 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.320 -7.389 5.577 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.669 -3.825 4.850 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.514 -5.340 5.249 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.553 -5.224 3.755 1.00 0.00 H new ATOM 933 N LYS A 60 6.873 -9.471 4.824 1.00 0.00 N ATOM 934 CA LYS A 60 6.663 -10.915 4.951 1.00 0.00 C ATOM 935 C LYS A 60 6.205 -11.553 3.639 1.00 0.00 C ATOM 936 O LYS A 60 6.198 -12.776 3.504 1.00 0.00 O ATOM 937 CB LYS A 60 5.628 -11.196 6.044 1.00 0.00 C ATOM 938 CG LYS A 60 5.646 -12.630 6.556 1.00 0.00 C ATOM 939 CD LYS A 60 6.911 -12.926 7.350 1.00 0.00 C ATOM 940 CE LYS A 60 6.960 -12.127 8.644 1.00 0.00 C ATOM 941 NZ LYS A 60 5.814 -12.448 9.539 1.00 0.00 N ATOM 0 H LYS A 60 6.178 -8.903 5.308 1.00 0.00 H new ATOM 0 HA LYS A 60 7.622 -11.359 5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.804 -10.520 6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.634 -10.971 5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.772 -12.804 7.184 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.575 -13.318 5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.958 -13.991 7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.785 -12.691 6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.895 -12.335 9.164 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.953 -11.062 8.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.163 -12.607 10.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.141 -11.655 9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.337 -13.307 9.197 1.00 0.00 H new ATOM 955 N LEU A 61 5.825 -10.722 2.676 1.00 0.00 N ATOM 956 CA LEU A 61 5.322 -11.212 1.393 1.00 0.00 C ATOM 957 C LEU A 61 6.417 -11.428 0.350 1.00 0.00 C ATOM 958 O LEU A 61 6.398 -12.421 -0.377 1.00 0.00 O ATOM 959 CB LEU A 61 4.283 -10.231 0.854 1.00 0.00 C ATOM 960 CG LEU A 61 2.838 -10.482 1.298 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.773 -11.022 2.722 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.023 -9.205 1.182 1.00 0.00 C ATOM 0 H LEU A 61 5.855 -9.706 2.757 1.00 0.00 H new ATOM 0 HA LEU A 61 4.877 -12.190 1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.568 -9.224 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.318 -10.255 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 61 2.415 -11.238 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.732 -11.187 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.318 -11.964 2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.222 -10.301 3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.998 -9.397 1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.462 -8.435 1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.023 -8.866 0.146 1.00 0.00 H new ATOM 974 N LEU A 62 7.368 -10.506 0.275 1.00 0.00 N ATOM 975 CA LEU A 62 8.444 -10.598 -0.706 1.00 0.00 C ATOM 976 C LEU A 62 9.315 -11.815 -0.446 1.00 0.00 C ATOM 977 O LEU A 62 10.162 -12.176 -1.261 1.00 0.00 O ATOM 978 CB LEU A 62 9.284 -9.325 -0.677 1.00 0.00 C ATOM 979 CG LEU A 62 8.508 -8.050 -0.995 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.175 -6.842 -0.357 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.392 -7.863 -2.500 1.00 0.00 C ATOM 0 H LEU A 62 7.417 -9.687 0.880 1.00 0.00 H new ATOM 0 HA LEU A 62 8.001 -10.709 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.735 -9.224 0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.101 -9.427 -1.392 1.00 0.00 H new ATOM 0 HG LEU A 62 7.505 -8.145 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.606 -5.944 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.208 -6.974 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.190 -6.741 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.836 -6.950 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.389 -7.790 -2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.868 -8.715 -2.933 1.00 0.00 H new ATOM 993 N GLU A 63 9.095 -12.445 0.698 1.00 0.00 N ATOM 994 CA GLU A 63 9.851 -13.627 1.072 1.00 0.00 C ATOM 995 C GLU A 63 8.936 -14.842 1.174 1.00 0.00 C ATOM 996 O GLU A 63 9.402 -15.978 1.262 1.00 0.00 O ATOM 997 CB GLU A 63 10.564 -13.383 2.398 1.00 0.00 C ATOM 998 CG GLU A 63 9.657 -12.859 3.498 1.00 0.00 C ATOM 999 CD GLU A 63 10.397 -12.627 4.801 1.00 0.00 C ATOM 1000 OE1 GLU A 63 10.572 -13.599 5.565 1.00 0.00 O ATOM 1001 OE2 GLU A 63 10.803 -11.473 5.057 1.00 0.00 O ATOM 0 H GLU A 63 8.397 -12.156 1.384 1.00 0.00 H new ATOM 0 HA GLU A 63 10.594 -13.828 0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.021 -14.315 2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.374 -12.671 2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.200 -11.925 3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.847 -13.569 3.666 1.00 0.00 H new ATOM 1008 N ASP A 64 7.630 -14.590 1.163 1.00 0.00 N ATOM 1009 CA ASP A 64 6.640 -15.658 1.254 1.00 0.00 C ATOM 1010 C ASP A 64 6.756 -16.621 0.084 1.00 0.00 C ATOM 1011 O ASP A 64 6.503 -17.818 0.221 1.00 0.00 O ATOM 1012 CB ASP A 64 5.230 -15.071 1.316 1.00 0.00 C ATOM 1013 CG ASP A 64 4.364 -15.763 2.351 1.00 0.00 C ATOM 1014 OD1 ASP A 64 3.803 -16.832 2.036 1.00 0.00 O ATOM 1015 OD2 ASP A 64 4.249 -15.235 3.477 1.00 0.00 O ATOM 0 H ASP A 64 7.232 -13.653 1.092 1.00 0.00 H new ATOM 0 HA ASP A 64 6.834 -16.216 2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.291 -14.008 1.549 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.760 -15.156 0.336 1.00 0.00 H new ATOM 1020 N ASP A 65 7.139 -16.084 -1.061 1.00 0.00 N ATOM 1021 CA ASP A 65 7.289 -16.878 -2.277 1.00 0.00 C ATOM 1022 C ASP A 65 5.970 -17.545 -2.638 1.00 0.00 C ATOM 1023 O ASP A 65 5.946 -18.616 -3.248 1.00 0.00 O ATOM 1024 CB ASP A 65 8.382 -17.936 -2.099 1.00 0.00 C ATOM 1025 CG ASP A 65 9.770 -17.330 -2.015 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.330 -16.983 -3.076 1.00 0.00 O ATOM 1027 OD2 ASP A 65 10.296 -17.203 -0.890 1.00 0.00 O ATOM 0 H ASP A 65 7.354 -15.094 -1.179 1.00 0.00 H new ATOM 0 HA ASP A 65 7.581 -16.211 -3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.184 -18.509 -1.193 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.345 -18.636 -2.934 1.00 0.00 H new ATOM 1032 N SER A 66 4.873 -16.897 -2.264 1.00 0.00 N ATOM 1033 CA SER A 66 3.542 -17.421 -2.530 1.00 0.00 C ATOM 1034 C SER A 66 3.106 -17.153 -3.969 1.00 0.00 C ATOM 1035 O SER A 66 1.946 -17.364 -4.322 1.00 0.00 O ATOM 1036 CB SER A 66 2.545 -16.799 -1.557 1.00 0.00 C ATOM 1037 OG SER A 66 2.628 -17.410 -0.281 1.00 0.00 O ATOM 0 H SER A 66 4.881 -16.003 -1.773 1.00 0.00 H new ATOM 0 HA SER A 66 3.570 -18.502 -2.391 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.740 -15.731 -1.465 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.534 -16.906 -1.950 1.00 0.00 H new ATOM 0 HG SER A 66 3.177 -16.856 0.312 1.00 0.00 H new ATOM 1043 N GLY A 67 4.041 -16.694 -4.798 1.00 0.00 N ATOM 1044 CA GLY A 67 3.724 -16.408 -6.188 1.00 0.00 C ATOM 1045 C GLY A 67 2.785 -15.226 -6.336 1.00 0.00 C ATOM 1046 O GLY A 67 3.225 -14.109 -6.601 1.00 0.00 O ATOM 0 H GLY A 67 5.010 -16.515 -4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.646 -16.207 -6.734 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.270 -17.288 -6.643 1.00 0.00 H new ATOM 1050 N PHE A 68 1.489 -15.473 -6.174 1.00 0.00 N ATOM 1051 CA PHE A 68 0.488 -14.417 -6.280 1.00 0.00 C ATOM 1052 C PHE A 68 0.721 -13.363 -5.205 1.00 0.00 C ATOM 1053 O PHE A 68 0.751 -12.165 -5.487 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.918 -15.008 -6.127 1.00 0.00 C ATOM 1055 CG PHE A 68 -2.017 -14.208 -6.784 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -2.080 -12.822 -6.667 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -3.001 -14.857 -7.514 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -3.101 -12.111 -7.271 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -4.023 -14.148 -8.115 1.00 0.00 C ATOM 1060 CZ PHE A 68 -4.072 -12.773 -7.994 1.00 0.00 C ATOM 0 H PHE A 68 1.107 -16.396 -5.969 1.00 0.00 H new ATOM 0 HA PHE A 68 0.575 -13.950 -7.261 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.921 -16.015 -6.545 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.143 -15.104 -5.065 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.325 -12.298 -6.100 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.968 -15.932 -7.614 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.138 -11.036 -7.177 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.783 -14.668 -8.679 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.869 -12.217 -8.465 1.00 0.00 H new ATOM 1070 N VAL A 69 0.892 -13.823 -3.970 1.00 0.00 N ATOM 1071 CA VAL A 69 1.113 -12.925 -2.844 1.00 0.00 C ATOM 1072 C VAL A 69 2.509 -12.312 -2.878 1.00 0.00 C ATOM 1073 O VAL A 69 2.673 -11.113 -2.655 1.00 0.00 O ATOM 1074 CB VAL A 69 0.910 -13.641 -1.496 1.00 0.00 C ATOM 1075 CG1 VAL A 69 0.575 -12.633 -0.410 1.00 0.00 C ATOM 1076 CG2 VAL A 69 -0.178 -14.699 -1.605 1.00 0.00 C ATOM 0 H VAL A 69 0.882 -14.813 -3.724 1.00 0.00 H new ATOM 0 HA VAL A 69 0.373 -12.130 -2.938 1.00 0.00 H new ATOM 0 HB VAL A 69 1.840 -14.142 -1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.434 -13.153 0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.391 -11.917 -0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.341 -12.105 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.304 -15.192 -0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.116 -14.227 -1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.106 -15.437 -2.355 1.00 0.00 H new ATOM 1086 N ARG A 70 3.513 -13.139 -3.158 1.00 0.00 N ATOM 1087 CA ARG A 70 4.892 -12.666 -3.221 1.00 0.00 C ATOM 1088 C ARG A 70 5.033 -11.573 -4.277 1.00 0.00 C ATOM 1089 O ARG A 70 5.613 -10.518 -4.020 1.00 0.00 O ATOM 1090 CB ARG A 70 5.839 -13.832 -3.526 1.00 0.00 C ATOM 1091 CG ARG A 70 7.309 -13.527 -3.261 1.00 0.00 C ATOM 1092 CD ARG A 70 7.942 -12.761 -4.411 1.00 0.00 C ATOM 1093 NE ARG A 70 7.718 -13.423 -5.694 1.00 0.00 N ATOM 1094 CZ ARG A 70 8.685 -13.984 -6.416 1.00 0.00 C ATOM 1095 NH1 ARG A 70 9.940 -13.957 -5.988 1.00 0.00 N ATOM 1096 NH2 ARG A 70 8.395 -14.574 -7.567 1.00 0.00 N ATOM 0 H ARG A 70 3.398 -14.135 -3.344 1.00 0.00 H new ATOM 0 HA ARG A 70 5.160 -12.245 -2.252 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.544 -14.692 -2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.721 -14.118 -4.571 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.400 -12.946 -2.343 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.851 -14.459 -3.103 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.530 -11.752 -4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.013 -12.662 -4.235 1.00 0.00 H new ATOM 0 HE ARG A 70 6.766 -13.457 -6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.167 -13.505 -5.102 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.678 -14.388 -6.545 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.431 -14.598 -7.899 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.136 -15.004 -8.121 1.00 0.00 H new ATOM 1110 N SER A 71 4.498 -11.835 -5.466 1.00 0.00 N ATOM 1111 CA SER A 71 4.554 -10.872 -6.561 1.00 0.00 C ATOM 1112 C SER A 71 3.711 -9.641 -6.243 1.00 0.00 C ATOM 1113 O SER A 71 4.079 -8.519 -6.590 1.00 0.00 O ATOM 1114 CB SER A 71 4.070 -11.513 -7.863 1.00 0.00 C ATOM 1115 OG SER A 71 4.933 -12.561 -8.267 1.00 0.00 O ATOM 0 H SER A 71 4.021 -12.707 -5.696 1.00 0.00 H new ATOM 0 HA SER A 71 5.591 -10.561 -6.684 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.060 -11.901 -7.728 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.019 -10.757 -8.647 1.00 0.00 H new ATOM 0 HG SER A 71 4.629 -13.405 -7.873 1.00 0.00 H new ATOM 1121 N GLY A 72 2.580 -9.864 -5.580 1.00 0.00 N ATOM 1122 CA GLY A 72 1.698 -8.768 -5.224 1.00 0.00 C ATOM 1123 C GLY A 72 2.390 -7.708 -4.395 1.00 0.00 C ATOM 1124 O GLY A 72 2.038 -6.531 -4.458 1.00 0.00 O ATOM 0 H GLY A 72 2.259 -10.785 -5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.305 -8.313 -6.133 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.845 -9.159 -4.669 1.00 0.00 H new ATOM 1128 N ALA A 73 3.378 -8.128 -3.615 1.00 0.00 N ATOM 1129 CA ALA A 73 4.125 -7.205 -2.773 1.00 0.00 C ATOM 1130 C ALA A 73 5.190 -6.475 -3.581 1.00 0.00 C ATOM 1131 O ALA A 73 5.401 -5.277 -3.402 1.00 0.00 O ATOM 1132 CB ALA A 73 4.760 -7.951 -1.610 1.00 0.00 C ATOM 0 H ALA A 73 3.680 -9.100 -3.549 1.00 0.00 H new ATOM 0 HA ALA A 73 3.431 -6.463 -2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.316 -7.250 -0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.981 -8.426 -1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.439 -8.713 -1.994 1.00 0.00 H new ATOM 1138 N ALA A 74 5.846 -7.207 -4.476 1.00 0.00 N ATOM 1139 CA ALA A 74 6.897 -6.642 -5.316 1.00 0.00 C ATOM 1140 C ALA A 74 6.446 -5.353 -5.994 1.00 0.00 C ATOM 1141 O ALA A 74 7.178 -4.363 -6.017 1.00 0.00 O ATOM 1142 CB ALA A 74 7.332 -7.657 -6.361 1.00 0.00 C ATOM 0 H ALA A 74 5.667 -8.198 -4.639 1.00 0.00 H new ATOM 0 HA ALA A 74 7.742 -6.400 -4.672 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.117 -7.226 -6.983 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.712 -8.550 -5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.480 -7.924 -6.986 1.00 0.00 H new ATOM 1148 N ARG A 75 5.239 -5.372 -6.544 1.00 0.00 N ATOM 1149 CA ARG A 75 4.689 -4.208 -7.230 1.00 0.00 C ATOM 1150 C ARG A 75 4.303 -3.107 -6.246 1.00 0.00 C ATOM 1151 O ARG A 75 4.282 -1.930 -6.601 1.00 0.00 O ATOM 1152 CB ARG A 75 3.471 -4.616 -8.062 1.00 0.00 C ATOM 1153 CG ARG A 75 2.505 -5.528 -7.321 1.00 0.00 C ATOM 1154 CD ARG A 75 1.389 -6.016 -8.232 1.00 0.00 C ATOM 1155 NE ARG A 75 1.893 -6.405 -9.547 1.00 0.00 N ATOM 1156 CZ ARG A 75 2.448 -7.586 -9.805 1.00 0.00 C ATOM 1157 NH1 ARG A 75 2.563 -8.494 -8.845 1.00 0.00 N ATOM 1158 NH2 ARG A 75 2.886 -7.861 -11.026 1.00 0.00 N ATOM 0 H ARG A 75 4.620 -6.183 -6.529 1.00 0.00 H new ATOM 0 HA ARG A 75 5.463 -3.813 -7.888 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.940 -3.718 -8.378 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.812 -5.120 -8.967 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.047 -6.383 -6.918 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.076 -4.994 -6.473 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.887 -6.866 -7.769 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.643 -5.229 -8.347 1.00 0.00 H new ATOM 0 HE ARG A 75 1.815 -5.733 -10.310 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.225 -8.288 -7.905 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.989 -9.398 -9.047 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.797 -7.167 -11.768 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.312 -8.767 -11.223 1.00 0.00 H new ATOM 1172 N SER A 76 4.009 -3.494 -5.010 1.00 0.00 N ATOM 1173 CA SER A 76 3.613 -2.535 -3.983 1.00 0.00 C ATOM 1174 C SER A 76 4.764 -1.604 -3.603 1.00 0.00 C ATOM 1175 O SER A 76 4.545 -0.428 -3.311 1.00 0.00 O ATOM 1176 CB SER A 76 3.103 -3.269 -2.746 1.00 0.00 C ATOM 1177 OG SER A 76 2.021 -4.125 -3.070 1.00 0.00 O ATOM 0 H SER A 76 4.037 -4.463 -4.694 1.00 0.00 H new ATOM 0 HA SER A 76 2.812 -1.921 -4.396 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.912 -3.852 -2.306 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.786 -2.545 -1.995 1.00 0.00 H new ATOM 0 HG SER A 76 2.352 -4.891 -3.583 1.00 0.00 H new ATOM 1183 N LEU A 77 5.987 -2.130 -3.599 1.00 0.00 N ATOM 1184 CA LEU A 77 7.159 -1.327 -3.262 1.00 0.00 C ATOM 1185 C LEU A 77 7.247 -0.097 -4.160 1.00 0.00 C ATOM 1186 O LEU A 77 7.225 1.037 -3.681 1.00 0.00 O ATOM 1187 CB LEU A 77 8.434 -2.162 -3.413 1.00 0.00 C ATOM 1188 CG LEU A 77 8.754 -3.111 -2.252 1.00 0.00 C ATOM 1189 CD1 LEU A 77 9.124 -2.328 -1.004 1.00 0.00 C ATOM 1190 CD2 LEU A 77 7.583 -4.039 -1.969 1.00 0.00 C ATOM 0 H LEU A 77 6.191 -3.104 -3.824 1.00 0.00 H new ATOM 0 HA LEU A 77 7.060 -1.001 -2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.353 -2.751 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.276 -1.483 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 77 9.609 -3.721 -2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.347 -3.021 -0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.000 -1.713 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.290 -1.688 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.836 -4.702 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.706 -3.448 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.367 -4.633 -2.857 1.00 0.00 H new ATOM 1202 N GLU A 78 7.344 -0.331 -5.464 1.00 0.00 N ATOM 1203 CA GLU A 78 7.422 0.756 -6.434 1.00 0.00 C ATOM 1204 C GLU A 78 6.139 1.583 -6.432 1.00 0.00 C ATOM 1205 O GLU A 78 6.150 2.762 -6.789 1.00 0.00 O ATOM 1206 CB GLU A 78 7.687 0.200 -7.834 1.00 0.00 C ATOM 1207 CG GLU A 78 6.674 -0.844 -8.273 1.00 0.00 C ATOM 1208 CD GLU A 78 6.861 -1.265 -9.717 1.00 0.00 C ATOM 1209 OE1 GLU A 78 6.295 -0.599 -10.609 1.00 0.00 O ATOM 1210 OE2 GLU A 78 7.573 -2.264 -9.957 1.00 0.00 O ATOM 0 H GLU A 78 7.371 -1.264 -5.874 1.00 0.00 H new ATOM 0 HA GLU A 78 8.249 1.406 -6.148 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.683 1.022 -8.550 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.684 -0.240 -7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.758 -1.720 -7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 78 5.668 -0.447 -8.141 1.00 0.00 H new ATOM 1217 N GLN A 79 5.035 0.960 -6.030 1.00 0.00 N ATOM 1218 CA GLN A 79 3.744 1.642 -5.979 1.00 0.00 C ATOM 1219 C GLN A 79 3.779 2.817 -5.009 1.00 0.00 C ATOM 1220 O GLN A 79 3.276 3.899 -5.315 1.00 0.00 O ATOM 1221 CB GLN A 79 2.641 0.666 -5.564 1.00 0.00 C ATOM 1222 CG GLN A 79 1.990 -0.062 -6.728 1.00 0.00 C ATOM 1223 CD GLN A 79 1.223 -1.294 -6.286 1.00 0.00 C ATOM 1224 OE1 GLN A 79 1.084 -2.256 -7.041 1.00 0.00 O ATOM 1225 NE2 GLN A 79 0.722 -1.273 -5.055 1.00 0.00 N ATOM 0 H GLN A 79 5.008 -0.016 -5.735 1.00 0.00 H new ATOM 0 HA GLN A 79 3.531 2.024 -6.978 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.060 -0.070 -4.878 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.874 1.213 -5.016 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.313 0.618 -7.245 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.757 -0.353 -7.445 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.861 -0.455 -4.462 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.199 -2.075 -4.703 1.00 0.00 H new ATOM 1234 N ILE A 80 4.373 2.602 -3.838 1.00 0.00 N ATOM 1235 CA ILE A 80 4.457 3.649 -2.828 1.00 0.00 C ATOM 1236 C ILE A 80 5.420 4.753 -3.254 1.00 0.00 C ATOM 1237 O ILE A 80 5.024 5.909 -3.404 1.00 0.00 O ATOM 1238 CB ILE A 80 4.899 3.084 -1.463 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.960 1.954 -1.030 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.927 4.191 -0.417 1.00 0.00 C ATOM 1241 CD1 ILE A 80 4.396 1.245 0.237 1.00 0.00 C ATOM 0 H ILE A 80 4.801 1.716 -3.567 1.00 0.00 H new ATOM 0 HA ILE A 80 3.456 4.069 -2.727 1.00 0.00 H new ATOM 0 HB ILE A 80 5.906 2.678 -1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.961 2.362 -0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.889 1.225 -1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.241 3.778 0.542 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.629 4.965 -0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.931 4.623 -0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.681 0.459 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.382 0.805 0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.439 1.961 1.058 1.00 0.00 H new ATOM 1253 N GLY A 81 6.684 4.391 -3.454 1.00 0.00 N ATOM 1254 CA GLY A 81 7.678 5.366 -3.867 1.00 0.00 C ATOM 1255 C GLY A 81 7.958 6.408 -2.800 1.00 0.00 C ATOM 1256 O GLY A 81 7.125 7.275 -2.536 1.00 0.00 O ATOM 0 H GLY A 81 7.037 3.441 -3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.605 4.850 -4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.337 5.864 -4.774 1.00 0.00 H new ATOM 1260 N GLY A 82 9.135 6.324 -2.187 1.00 0.00 N ATOM 1261 CA GLY A 82 9.503 7.275 -1.153 1.00 0.00 C ATOM 1262 C GLY A 82 10.478 6.695 -0.146 1.00 0.00 C ATOM 1263 O GLY A 82 10.926 5.558 -0.291 1.00 0.00 O ATOM 0 H GLY A 82 9.840 5.615 -2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.947 8.156 -1.616 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.604 7.607 -0.633 1.00 0.00 H new ATOM 1267 N GLU A 83 10.803 7.480 0.875 1.00 0.00 N ATOM 1268 CA GLU A 83 11.730 7.043 1.915 1.00 0.00 C ATOM 1269 C GLU A 83 11.090 5.985 2.807 1.00 0.00 C ATOM 1270 O GLU A 83 11.772 5.098 3.323 1.00 0.00 O ATOM 1271 CB GLU A 83 12.181 8.234 2.765 1.00 0.00 C ATOM 1272 CG GLU A 83 11.030 9.002 3.398 1.00 0.00 C ATOM 1273 CD GLU A 83 11.504 10.092 4.339 1.00 0.00 C ATOM 1274 OE1 GLU A 83 11.754 11.219 3.865 1.00 0.00 O ATOM 1275 OE2 GLU A 83 11.625 9.817 5.552 1.00 0.00 O ATOM 0 H GLU A 83 10.438 8.424 1.006 1.00 0.00 H new ATOM 0 HA GLU A 83 12.600 6.605 1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.845 7.877 3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.762 8.915 2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.419 9.446 2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.392 8.308 3.944 1.00 0.00 H new ATOM 1282 N ARG A 84 9.778 6.085 2.986 1.00 0.00 N ATOM 1283 CA ARG A 84 9.044 5.141 3.819 1.00 0.00 C ATOM 1284 C ARG A 84 9.165 3.722 3.269 1.00 0.00 C ATOM 1285 O ARG A 84 9.558 2.800 3.984 1.00 0.00 O ATOM 1286 CB ARG A 84 7.566 5.555 3.943 1.00 0.00 C ATOM 1287 CG ARG A 84 6.751 5.433 2.658 1.00 0.00 C ATOM 1288 CD ARG A 84 7.169 6.458 1.613 1.00 0.00 C ATOM 1289 NE ARG A 84 7.050 7.825 2.112 1.00 0.00 N ATOM 1290 CZ ARG A 84 6.887 8.889 1.329 1.00 0.00 C ATOM 1291 NH1 ARG A 84 6.827 8.746 0.011 1.00 0.00 N ATOM 1292 NH2 ARG A 84 6.783 10.096 1.865 1.00 0.00 N ATOM 0 H ARG A 84 9.200 6.812 2.564 1.00 0.00 H new ATOM 0 HA ARG A 84 9.485 5.156 4.816 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.096 4.943 4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.522 6.588 4.287 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.870 4.430 2.248 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.693 5.561 2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.200 6.270 1.312 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.551 6.342 0.723 1.00 0.00 H new ATOM 0 HE ARG A 84 7.094 7.973 3.120 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.906 7.818 -0.405 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.702 9.564 -0.586 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.828 10.210 2.878 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.658 10.911 1.265 1.00 0.00 H new ATOM 1306 N VAL A 85 8.821 3.556 1.999 1.00 0.00 N ATOM 1307 CA VAL A 85 8.896 2.259 1.344 1.00 0.00 C ATOM 1308 C VAL A 85 10.345 1.847 1.124 1.00 0.00 C ATOM 1309 O VAL A 85 10.659 0.662 1.004 1.00 0.00 O ATOM 1310 CB VAL A 85 8.161 2.286 -0.005 1.00 0.00 C ATOM 1311 CG1 VAL A 85 8.928 3.113 -1.023 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.921 0.874 -0.515 1.00 0.00 C ATOM 0 H VAL A 85 8.485 4.310 1.399 1.00 0.00 H new ATOM 0 HA VAL A 85 8.415 1.531 1.997 1.00 0.00 H new ATOM 0 HB VAL A 85 7.190 2.759 0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.388 3.117 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.030 4.135 -0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.917 2.681 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.399 0.916 -1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.877 0.367 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.314 0.325 0.205 1.00 0.00 H new ATOM 1322 N ARG A 86 11.218 2.845 1.065 1.00 0.00 N ATOM 1323 CA ARG A 86 12.643 2.611 0.850 1.00 0.00 C ATOM 1324 C ARG A 86 13.217 1.690 1.923 1.00 0.00 C ATOM 1325 O ARG A 86 14.200 0.988 1.689 1.00 0.00 O ATOM 1326 CB ARG A 86 13.408 3.938 0.837 1.00 0.00 C ATOM 1327 CG ARG A 86 14.851 3.802 0.384 1.00 0.00 C ATOM 1328 CD ARG A 86 15.578 5.138 0.415 1.00 0.00 C ATOM 1329 NE ARG A 86 15.015 6.090 -0.538 1.00 0.00 N ATOM 1330 CZ ARG A 86 15.581 7.257 -0.836 1.00 0.00 C ATOM 1331 NH1 ARG A 86 16.721 7.612 -0.260 1.00 0.00 N ATOM 1332 NH2 ARG A 86 15.006 8.070 -1.712 1.00 0.00 N ATOM 0 H ARG A 86 10.964 3.828 1.163 1.00 0.00 H new ATOM 0 HA ARG A 86 12.759 2.124 -0.118 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.894 4.638 0.179 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.389 4.369 1.838 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.369 3.091 1.027 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.878 3.396 -0.627 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.524 5.557 1.420 1.00 0.00 H new ATOM 0 HD3 ARG A 86 16.633 4.982 0.191 1.00 0.00 H new ATOM 0 HE ARG A 86 14.139 5.847 -1.001 1.00 0.00 H new ATOM 0 HH11 ARG A 86 17.167 6.990 0.414 1.00 0.00 H new ATOM 0 HH12 ARG A 86 17.152 8.507 -0.491 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.129 7.801 -2.158 1.00 0.00 H new ATOM 0 HH22 ARG A 86 15.441 8.964 -1.940 1.00 0.00 H new ATOM 1346 N ALA A 87 12.597 1.697 3.097 1.00 0.00 N ATOM 1347 CA ALA A 87 13.043 0.859 4.203 1.00 0.00 C ATOM 1348 C ALA A 87 12.581 -0.580 4.008 1.00 0.00 C ATOM 1349 O ALA A 87 13.208 -1.518 4.497 1.00 0.00 O ATOM 1350 CB ALA A 87 12.526 1.408 5.524 1.00 0.00 C ATOM 0 H ALA A 87 11.783 2.274 3.308 1.00 0.00 H new ATOM 0 HA ALA A 87 14.133 0.869 4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.867 0.772 6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.904 2.420 5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.436 1.426 5.509 1.00 0.00 H new ATOM 1356 N ALA A 88 11.476 -0.740 3.285 1.00 0.00 N ATOM 1357 CA ALA A 88 10.919 -2.059 3.018 1.00 0.00 C ATOM 1358 C ALA A 88 11.789 -2.840 2.039 1.00 0.00 C ATOM 1359 O ALA A 88 12.089 -4.012 2.265 1.00 0.00 O ATOM 1360 CB ALA A 88 9.500 -1.930 2.482 1.00 0.00 C ATOM 0 H ALA A 88 10.949 0.030 2.874 1.00 0.00 H new ATOM 0 HA ALA A 88 10.895 -2.613 3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.094 -2.922 2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.878 -1.422 3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.511 -1.353 1.557 1.00 0.00 H new ATOM 1366 N MET A 89 12.193 -2.186 0.953 1.00 0.00 N ATOM 1367 CA MET A 89 13.032 -2.831 -0.051 1.00 0.00 C ATOM 1368 C MET A 89 14.438 -3.050 0.488 1.00 0.00 C ATOM 1369 O MET A 89 15.097 -4.032 0.151 1.00 0.00 O ATOM 1370 CB MET A 89 13.085 -1.995 -1.338 1.00 0.00 C ATOM 1371 CG MET A 89 13.874 -0.700 -1.216 1.00 0.00 C ATOM 1372 SD MET A 89 15.659 -0.952 -1.319 1.00 0.00 S ATOM 1373 CE MET A 89 16.264 0.636 -0.752 1.00 0.00 C ATOM 0 H MET A 89 11.954 -1.216 0.747 1.00 0.00 H new ATOM 0 HA MET A 89 12.591 -3.800 -0.286 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.524 -2.600 -2.131 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.066 -1.758 -1.644 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.563 -0.015 -2.005 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.634 -0.222 -0.266 1.00 0.00 H new ATOM 0 HE1 MET A 89 17.260 0.812 -1.157 1.00 0.00 H new ATOM 0 HE2 MET A 89 15.591 1.424 -1.090 1.00 0.00 H new ATOM 0 HE3 MET A 89 16.309 0.640 0.337 1.00 0.00 H new ATOM 1383 N GLU A 90 14.891 -2.124 1.327 1.00 0.00 N ATOM 1384 CA GLU A 90 16.222 -2.207 1.913 1.00 0.00 C ATOM 1385 C GLU A 90 16.346 -3.456 2.776 1.00 0.00 C ATOM 1386 O GLU A 90 17.367 -4.143 2.751 1.00 0.00 O ATOM 1387 CB GLU A 90 16.508 -0.956 2.747 1.00 0.00 C ATOM 1388 CG GLU A 90 17.982 -0.594 2.828 1.00 0.00 C ATOM 1389 CD GLU A 90 18.806 -1.641 3.552 1.00 0.00 C ATOM 1390 OE1 GLU A 90 18.798 -1.641 4.801 1.00 0.00 O ATOM 1391 OE2 GLU A 90 19.459 -2.459 2.871 1.00 0.00 O ATOM 0 H GLU A 90 14.354 -1.306 1.616 1.00 0.00 H new ATOM 0 HA GLU A 90 16.954 -2.269 1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.960 -0.115 2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 90 16.125 -1.109 3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.375 -0.463 1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 90 18.089 0.363 3.339 1.00 0.00 H new ATOM 1398 N LYS A 91 15.296 -3.746 3.538 1.00 0.00 N ATOM 1399 CA LYS A 91 15.286 -4.918 4.407 1.00 0.00 C ATOM 1400 C LYS A 91 15.195 -6.202 3.592 1.00 0.00 C ATOM 1401 O LYS A 91 15.616 -7.265 4.048 1.00 0.00 O ATOM 1402 CB LYS A 91 14.119 -4.842 5.395 1.00 0.00 C ATOM 1403 CG LYS A 91 14.081 -5.996 6.388 1.00 0.00 C ATOM 1404 CD LYS A 91 15.281 -5.973 7.321 1.00 0.00 C ATOM 1405 CE LYS A 91 15.276 -7.165 8.264 1.00 0.00 C ATOM 1406 NZ LYS A 91 13.997 -7.271 9.020 1.00 0.00 N ATOM 0 H LYS A 91 14.443 -3.187 3.572 1.00 0.00 H new ATOM 0 HA LYS A 91 16.223 -4.930 4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.181 -3.903 5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.183 -4.824 4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.163 -5.942 6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 91 14.059 -6.942 5.847 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.200 -5.976 6.734 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.275 -5.050 7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.437 -8.080 7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 91 16.106 -7.076 8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.105 -7.962 9.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.752 -6.343 9.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.240 -7.582 8.379 1.00 0.00 H new ATOM 1420 N LEU A 92 14.650 -6.103 2.381 1.00 0.00 N ATOM 1421 CA LEU A 92 14.518 -7.258 1.518 1.00 0.00 C ATOM 1422 C LEU A 92 15.813 -7.474 0.743 1.00 0.00 C ATOM 1423 O LEU A 92 16.167 -8.601 0.409 1.00 0.00 O ATOM 1424 CB LEU A 92 13.324 -7.067 0.575 1.00 0.00 C ATOM 1425 CG LEU A 92 13.517 -7.576 -0.851 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.526 -9.098 -0.886 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.426 -7.029 -1.758 1.00 0.00 C ATOM 0 H LEU A 92 14.296 -5.233 1.983 1.00 0.00 H new ATOM 0 HA LEU A 92 14.333 -8.148 2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.460 -7.571 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.085 -6.004 0.532 1.00 0.00 H new ATOM 0 HG LEU A 92 14.482 -7.223 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.665 -9.438 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.342 -9.471 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.578 -9.476 -0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.576 -7.400 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.452 -7.355 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.467 -5.940 -1.760 1.00 0.00 H new ATOM 1439 N ALA A 93 16.520 -6.382 0.473 1.00 0.00 N ATOM 1440 CA ALA A 93 17.786 -6.444 -0.247 1.00 0.00 C ATOM 1441 C ALA A 93 18.804 -7.271 0.528 1.00 0.00 C ATOM 1442 O ALA A 93 19.725 -7.846 -0.052 1.00 0.00 O ATOM 1443 CB ALA A 93 18.324 -5.042 -0.486 1.00 0.00 C ATOM 0 H ALA A 93 16.236 -5.440 0.743 1.00 0.00 H new ATOM 0 HA ALA A 93 17.611 -6.924 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.270 -5.102 -1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.606 -4.472 -1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.482 -4.545 0.471 1.00 0.00 H new ATOM 1449 N GLU A 94 18.628 -7.323 1.844 1.00 0.00 N ATOM 1450 CA GLU A 94 19.524 -8.075 2.711 1.00 0.00 C ATOM 1451 C GLU A 94 19.169 -9.558 2.682 1.00 0.00 C ATOM 1452 O GLU A 94 20.015 -10.417 2.929 1.00 0.00 O ATOM 1453 CB GLU A 94 19.442 -7.539 4.140 1.00 0.00 C ATOM 1454 CG GLU A 94 20.580 -8.002 5.031 1.00 0.00 C ATOM 1455 CD GLU A 94 21.939 -7.584 4.503 1.00 0.00 C ATOM 1456 OE1 GLU A 94 22.369 -6.450 4.805 1.00 0.00 O ATOM 1457 OE2 GLU A 94 22.573 -8.389 3.789 1.00 0.00 O ATOM 0 H GLU A 94 17.869 -6.850 2.334 1.00 0.00 H new ATOM 0 HA GLU A 94 20.545 -7.956 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 94 19.436 -6.449 4.110 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.496 -7.851 4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 94 20.442 -7.594 6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 94 20.547 -9.088 5.122 1.00 0.00 H new ATOM 1464 N THR A 95 17.908 -9.841 2.378 1.00 0.00 N ATOM 1465 CA THR A 95 17.421 -11.212 2.290 1.00 0.00 C ATOM 1466 C THR A 95 16.962 -11.493 0.867 1.00 0.00 C ATOM 1467 O THR A 95 16.180 -12.410 0.616 1.00 0.00 O ATOM 1468 CB THR A 95 16.251 -11.459 3.262 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.281 -10.412 3.136 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.747 -11.530 4.699 1.00 0.00 C ATOM 0 H THR A 95 17.199 -9.133 2.187 1.00 0.00 H new ATOM 0 HA THR A 95 18.237 -11.881 2.564 1.00 0.00 H new ATOM 0 HB THR A 95 15.790 -12.413 3.007 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.646 -9.581 3.506 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.903 -11.705 5.367 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.463 -12.346 4.797 1.00 0.00 H new ATOM 0 HG23 THR A 95 17.231 -10.590 4.964 1.00 0.00 H new ATOM 1478 N GLY A 96 17.476 -10.688 -0.057 1.00 0.00 N ATOM 1479 CA GLY A 96 17.120 -10.811 -1.454 1.00 0.00 C ATOM 1480 C GLY A 96 17.361 -12.193 -2.017 1.00 0.00 C ATOM 1481 O GLY A 96 18.489 -12.688 -2.021 1.00 0.00 O ATOM 0 H GLY A 96 18.143 -9.943 0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.067 -10.556 -1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.693 -10.086 -2.032 1.00 0.00 H new ATOM 1485 N THR A 97 16.289 -12.813 -2.489 1.00 0.00 N ATOM 1486 CA THR A 97 16.367 -14.138 -3.081 1.00 0.00 C ATOM 1487 C THR A 97 15.465 -14.225 -4.308 1.00 0.00 C ATOM 1488 O THR A 97 14.290 -13.862 -4.251 1.00 0.00 O ATOM 1489 CB THR A 97 15.959 -15.231 -2.073 1.00 0.00 C ATOM 1490 OG1 THR A 97 16.717 -15.088 -0.865 1.00 0.00 O ATOM 1491 CG2 THR A 97 16.185 -16.617 -2.655 1.00 0.00 C ATOM 0 H THR A 97 15.350 -12.415 -2.472 1.00 0.00 H new ATOM 0 HA THR A 97 17.404 -14.304 -3.374 1.00 0.00 H new ATOM 0 HB THR A 97 14.897 -15.115 -1.855 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.448 -14.265 -0.406 1.00 0.00 H new ATOM 0 HG21 THR A 97 15.890 -17.371 -1.925 1.00 0.00 H new ATOM 0 HG22 THR A 97 15.588 -16.734 -3.559 1.00 0.00 H new ATOM 0 HG23 THR A 97 17.240 -16.742 -2.899 1.00 0.00 H new ATOM 1499 N GLY A 98 16.021 -14.708 -5.414 1.00 0.00 N ATOM 1500 CA GLY A 98 15.251 -14.828 -6.639 1.00 0.00 C ATOM 1501 C GLY A 98 14.749 -13.489 -7.151 1.00 0.00 C ATOM 1502 O GLY A 98 15.437 -12.475 -7.043 1.00 0.00 O ATOM 0 H GLY A 98 16.990 -15.018 -5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.867 -15.297 -7.406 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.401 -15.488 -6.465 1.00 0.00 H new ATOM 1506 N PHE A 99 13.541 -13.494 -7.709 1.00 0.00 N ATOM 1507 CA PHE A 99 12.926 -12.283 -8.250 1.00 0.00 C ATOM 1508 C PHE A 99 12.669 -11.248 -7.156 1.00 0.00 C ATOM 1509 O PHE A 99 12.696 -10.043 -7.410 1.00 0.00 O ATOM 1510 CB PHE A 99 11.613 -12.645 -8.955 1.00 0.00 C ATOM 1511 CG PHE A 99 10.704 -11.475 -9.214 1.00 0.00 C ATOM 1512 CD1 PHE A 99 10.891 -10.664 -10.322 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.656 -11.190 -8.350 1.00 0.00 C ATOM 1514 CE1 PHE A 99 10.052 -9.593 -10.565 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.814 -10.121 -8.588 1.00 0.00 C ATOM 1516 CZ PHE A 99 9.012 -9.321 -9.697 1.00 0.00 C ATOM 0 H PHE A 99 12.964 -14.330 -7.799 1.00 0.00 H new ATOM 0 HA PHE A 99 13.617 -11.840 -8.967 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.846 -13.126 -9.905 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.079 -13.377 -8.349 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.702 -10.871 -11.004 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.497 -11.811 -7.481 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.209 -8.969 -11.433 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.002 -9.911 -7.908 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.355 -8.485 -9.885 1.00 0.00 H new ATOM 1526 N ALA A 100 12.421 -11.726 -5.942 1.00 0.00 N ATOM 1527 CA ALA A 100 12.141 -10.849 -4.810 1.00 0.00 C ATOM 1528 C ALA A 100 13.233 -9.801 -4.611 1.00 0.00 C ATOM 1529 O ALA A 100 12.952 -8.674 -4.211 1.00 0.00 O ATOM 1530 CB ALA A 100 11.970 -11.673 -3.545 1.00 0.00 C ATOM 0 H ALA A 100 12.408 -12.720 -5.715 1.00 0.00 H new ATOM 0 HA ALA A 100 11.215 -10.317 -5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.761 -11.011 -2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.141 -12.369 -3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.885 -12.232 -3.348 1.00 0.00 H new ATOM 1536 N ARG A 101 14.474 -10.173 -4.895 1.00 0.00 N ATOM 1537 CA ARG A 101 15.601 -9.260 -4.727 1.00 0.00 C ATOM 1538 C ARG A 101 15.589 -8.147 -5.770 1.00 0.00 C ATOM 1539 O ARG A 101 15.553 -6.965 -5.423 1.00 0.00 O ATOM 1540 CB ARG A 101 16.912 -10.026 -4.820 1.00 0.00 C ATOM 1541 CG ARG A 101 18.140 -9.153 -4.619 1.00 0.00 C ATOM 1542 CD ARG A 101 19.344 -9.976 -4.195 1.00 0.00 C ATOM 1543 NE ARG A 101 20.535 -9.151 -4.013 1.00 0.00 N ATOM 1544 CZ ARG A 101 21.730 -9.644 -3.702 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.889 -10.950 -3.537 1.00 0.00 N ATOM 1546 NH2 ARG A 101 22.767 -8.831 -3.557 1.00 0.00 N ATOM 0 H ARG A 101 14.727 -11.098 -5.242 1.00 0.00 H new ATOM 0 HA ARG A 101 15.507 -8.803 -3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.914 -10.819 -4.073 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.974 -10.507 -5.796 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.367 -8.624 -5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.930 -8.397 -3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.118 -10.496 -3.264 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.544 -10.740 -4.947 1.00 0.00 H new ATOM 0 HE ARG A 101 20.445 -8.142 -4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.094 -11.579 -3.649 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.807 -11.326 -3.298 1.00 0.00 H new ATOM 0 HH21 ARG A 101 22.649 -7.826 -3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 101 23.683 -9.211 -3.318 1.00 0.00 H new ATOM 1560 N LYS A 102 15.634 -8.532 -7.044 1.00 0.00 N ATOM 1561 CA LYS A 102 15.634 -7.571 -8.146 1.00 0.00 C ATOM 1562 C LYS A 102 14.574 -6.494 -7.935 1.00 0.00 C ATOM 1563 O LYS A 102 14.695 -5.376 -8.432 1.00 0.00 O ATOM 1564 CB LYS A 102 15.387 -8.298 -9.473 1.00 0.00 C ATOM 1565 CG LYS A 102 15.115 -7.366 -10.644 1.00 0.00 C ATOM 1566 CD LYS A 102 15.094 -8.117 -11.968 1.00 0.00 C ATOM 1567 CE LYS A 102 16.486 -8.576 -12.371 1.00 0.00 C ATOM 1568 NZ LYS A 102 17.430 -7.432 -12.508 1.00 0.00 N ATOM 0 H LYS A 102 15.671 -9.507 -7.340 1.00 0.00 H new ATOM 0 HA LYS A 102 16.610 -7.086 -8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.255 -8.914 -9.706 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.540 -8.973 -9.354 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.159 -6.864 -10.495 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.880 -6.591 -10.677 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.434 -8.981 -11.887 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.683 -7.474 -12.746 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.868 -9.274 -11.626 1.00 0.00 H new ATOM 0 HE3 LYS A 102 16.431 -9.116 -13.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.215 -7.703 -13.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.930 -6.616 -12.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 17.805 -7.178 -11.572 1.00 0.00 H new ATOM 1582 N VAL A 103 13.545 -6.843 -7.179 1.00 0.00 N ATOM 1583 CA VAL A 103 12.448 -5.934 -6.888 1.00 0.00 C ATOM 1584 C VAL A 103 12.883 -4.758 -6.010 1.00 0.00 C ATOM 1585 O VAL A 103 12.580 -3.604 -6.312 1.00 0.00 O ATOM 1586 CB VAL A 103 11.311 -6.697 -6.188 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.311 -5.738 -5.559 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.621 -7.625 -7.173 1.00 0.00 C ATOM 0 H VAL A 103 13.447 -7.763 -6.750 1.00 0.00 H new ATOM 0 HA VAL A 103 12.104 -5.529 -7.840 1.00 0.00 H new ATOM 0 HB VAL A 103 11.743 -7.296 -5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.519 -6.306 -5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.818 -5.116 -4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.879 -5.104 -6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.818 -8.160 -6.667 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.206 -7.041 -7.994 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.343 -8.341 -7.565 1.00 0.00 H new ATOM 1598 N ALA A 104 13.592 -5.059 -4.929 1.00 0.00 N ATOM 1599 CA ALA A 104 14.045 -4.033 -3.993 1.00 0.00 C ATOM 1600 C ALA A 104 15.041 -3.071 -4.629 1.00 0.00 C ATOM 1601 O ALA A 104 14.819 -1.863 -4.692 1.00 0.00 O ATOM 1602 CB ALA A 104 14.682 -4.693 -2.780 1.00 0.00 C ATOM 0 H ALA A 104 13.867 -6.008 -4.677 1.00 0.00 H new ATOM 0 HA ALA A 104 13.171 -3.454 -3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.019 -3.926 -2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.950 -5.334 -2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.534 -5.294 -3.098 1.00 0.00 H new ATOM 1608 N VAL A 105 16.137 -3.639 -5.094 1.00 0.00 N ATOM 1609 CA VAL A 105 17.230 -2.887 -5.699 1.00 0.00 C ATOM 1610 C VAL A 105 16.820 -2.076 -6.930 1.00 0.00 C ATOM 1611 O VAL A 105 16.912 -0.849 -6.923 1.00 0.00 O ATOM 1612 CB VAL A 105 18.387 -3.826 -6.085 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.380 -3.945 -4.940 1.00 0.00 C ATOM 1614 CG2 VAL A 105 17.864 -5.199 -6.486 1.00 0.00 C ATOM 0 H VAL A 105 16.300 -4.646 -5.064 1.00 0.00 H new ATOM 0 HA VAL A 105 17.547 -2.177 -4.935 1.00 0.00 H new ATOM 0 HB VAL A 105 18.900 -3.396 -6.945 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.191 -4.613 -5.230 1.00 0.00 H new ATOM 0 HG12 VAL A 105 19.786 -2.961 -4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 105 18.876 -4.347 -4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 105 18.701 -5.843 -6.754 1.00 0.00 H new ATOM 0 HG22 VAL A 105 17.320 -5.640 -5.650 1.00 0.00 H new ATOM 0 HG23 VAL A 105 17.196 -5.098 -7.341 1.00 0.00 H new ATOM 1624 N ASN A 106 16.378 -2.756 -7.984 1.00 0.00 N ATOM 1625 CA ASN A 106 15.999 -2.075 -9.223 1.00 0.00 C ATOM 1626 C ASN A 106 14.943 -0.999 -8.990 1.00 0.00 C ATOM 1627 O ASN A 106 14.846 -0.048 -9.766 1.00 0.00 O ATOM 1628 CB ASN A 106 15.498 -3.082 -10.257 1.00 0.00 C ATOM 1629 CG ASN A 106 16.631 -3.885 -10.867 1.00 0.00 C ATOM 1630 OD1 ASN A 106 17.107 -3.577 -11.958 1.00 0.00 O ATOM 1631 ND2 ASN A 106 17.077 -4.912 -10.156 1.00 0.00 N ATOM 0 H ASN A 106 16.273 -3.770 -8.008 1.00 0.00 H new ATOM 0 HA ASN A 106 16.894 -1.582 -9.602 1.00 0.00 H new ATOM 0 HB2 ASN A 106 14.786 -3.760 -9.787 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.962 -2.554 -11.046 1.00 0.00 H new ATOM 0 HD21 ASN A 106 17.845 -5.482 -10.510 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.652 -5.131 -9.255 1.00 0.00 H new ATOM 1638 N TYR A 107 14.151 -1.143 -7.934 1.00 0.00 N ATOM 1639 CA TYR A 107 13.125 -0.159 -7.630 1.00 0.00 C ATOM 1640 C TYR A 107 13.764 1.213 -7.425 1.00 0.00 C ATOM 1641 O TYR A 107 13.196 2.239 -7.796 1.00 0.00 O ATOM 1642 CB TYR A 107 12.328 -0.573 -6.388 1.00 0.00 C ATOM 1643 CG TYR A 107 11.790 0.601 -5.604 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.864 1.476 -6.160 1.00 0.00 C ATOM 1645 CD2 TYR A 107 12.235 0.848 -4.317 1.00 0.00 C ATOM 1646 CE1 TYR A 107 10.397 2.562 -5.448 1.00 0.00 C ATOM 1647 CE2 TYR A 107 11.776 1.935 -3.600 1.00 0.00 C ATOM 1648 CZ TYR A 107 10.856 2.788 -4.169 1.00 0.00 C ATOM 1649 OH TYR A 107 10.402 3.875 -3.460 1.00 0.00 O ATOM 0 H TYR A 107 14.200 -1.925 -7.281 1.00 0.00 H new ATOM 0 HA TYR A 107 12.434 -0.103 -8.471 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.497 -1.208 -6.694 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.966 -1.173 -5.739 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.505 1.303 -7.164 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.953 0.179 -3.866 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.675 3.232 -5.891 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.136 2.116 -2.598 1.00 0.00 H new ATOM 0 HH TYR A 107 11.102 4.180 -2.846 1.00 0.00 H new ATOM 1659 N LEU A 108 14.953 1.209 -6.832 1.00 0.00 N ATOM 1660 CA LEU A 108 15.693 2.438 -6.558 1.00 0.00 C ATOM 1661 C LEU A 108 15.844 3.298 -7.811 1.00 0.00 C ATOM 1662 O LEU A 108 16.055 4.507 -7.720 1.00 0.00 O ATOM 1663 CB LEU A 108 17.072 2.097 -5.992 1.00 0.00 C ATOM 1664 CG LEU A 108 17.088 1.671 -4.522 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.461 1.147 -4.133 1.00 0.00 C ATOM 1666 CD2 LEU A 108 16.689 2.834 -3.626 1.00 0.00 C ATOM 0 H LEU A 108 15.430 0.360 -6.529 1.00 0.00 H new ATOM 0 HA LEU A 108 15.126 3.013 -5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.504 1.295 -6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.720 2.966 -6.109 1.00 0.00 H new ATOM 0 HG LEU A 108 16.363 0.868 -4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.453 0.849 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.711 0.286 -4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.205 1.930 -4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.706 2.513 -2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.391 3.657 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.684 3.166 -3.887 1.00 0.00 H new ATOM 1678 N GLU A 109 15.737 2.669 -8.977 1.00 0.00 N ATOM 1679 CA GLU A 109 15.866 3.383 -10.245 1.00 0.00 C ATOM 1680 C GLU A 109 14.746 4.407 -10.429 1.00 0.00 C ATOM 1681 O GLU A 109 14.757 5.182 -11.385 1.00 0.00 O ATOM 1682 CB GLU A 109 15.864 2.397 -11.414 1.00 0.00 C ATOM 1683 CG GLU A 109 17.049 1.444 -11.407 1.00 0.00 C ATOM 1684 CD GLU A 109 18.380 2.168 -11.467 1.00 0.00 C ATOM 1685 OE1 GLU A 109 18.854 2.448 -12.589 1.00 0.00 O ATOM 1686 OE2 GLU A 109 18.950 2.455 -10.393 1.00 0.00 O ATOM 0 H GLU A 109 15.562 1.669 -9.072 1.00 0.00 H new ATOM 0 HA GLU A 109 16.815 3.918 -10.226 1.00 0.00 H new ATOM 0 HB2 GLU A 109 14.942 1.817 -11.388 1.00 0.00 H new ATOM 0 HB3 GLU A 109 15.863 2.956 -12.350 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.013 0.832 -10.506 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.970 0.766 -12.257 1.00 0.00 H new ATOM 1693 N THR A 110 13.782 4.406 -9.511 1.00 0.00 N ATOM 1694 CA THR A 110 12.662 5.337 -9.582 1.00 0.00 C ATOM 1695 C THR A 110 12.649 6.273 -8.376 1.00 0.00 C ATOM 1696 O THR A 110 12.505 7.487 -8.523 1.00 0.00 O ATOM 1697 CB THR A 110 11.314 4.594 -9.657 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.389 3.538 -10.623 1.00 0.00 O ATOM 1699 CG2 THR A 110 10.191 5.548 -10.036 1.00 0.00 C ATOM 0 H THR A 110 13.755 3.772 -8.712 1.00 0.00 H new ATOM 0 HA THR A 110 12.795 5.922 -10.492 1.00 0.00 H new ATOM 0 HB THR A 110 11.101 4.175 -8.673 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.529 3.070 -10.663 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.249 5.001 -10.083 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.116 6.337 -9.288 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.402 5.990 -11.009 1.00 0.00 H new ATOM 1707 N HIS A 111 12.799 5.702 -7.184 1.00 0.00 N ATOM 1708 CA HIS A 111 12.811 6.486 -5.952 1.00 0.00 C ATOM 1709 C HIS A 111 13.965 6.062 -5.047 1.00 0.00 C ATOM 1710 O HIS A 111 15.074 6.611 -5.209 1.00 0.00 O ATOM 1711 CB HIS A 111 11.481 6.335 -5.207 1.00 0.00 C ATOM 1712 CG HIS A 111 10.330 7.003 -5.892 1.00 0.00 C ATOM 1713 ND1 HIS A 111 9.943 8.299 -5.622 1.00 0.00 N ATOM 1714 CD2 HIS A 111 9.476 6.547 -6.840 1.00 0.00 C ATOM 1715 CE1 HIS A 111 8.902 8.612 -6.373 1.00 0.00 C ATOM 1716 NE2 HIS A 111 8.600 7.566 -7.121 1.00 0.00 N ATOM 1717 OXT HIS A 111 13.749 5.185 -4.184 1.00 0.00 O ATOM 0 H HIS A 111 12.914 4.698 -7.045 1.00 0.00 H new ATOM 0 HA HIS A 111 12.949 7.533 -6.222 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.258 5.274 -5.091 1.00 0.00 H new ATOM 0 HB3 HIS A 111 11.587 6.750 -4.205 1.00 0.00 H new ATOM 0 HD2 HIS A 111 9.483 5.565 -7.290 1.00 0.00 H new ATOM 0 HE1 HIS A 111 8.386 9.561 -6.375 1.00 0.00 H new ATOM 0 HE2 HIS A 111 7.839 7.522 -7.798 1.00 0.00 H new