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 48 ASN : amide:sc= -3.1! K(o=-6!,f=0.97) USER MOD Set 1.2: A 79 GLN : amide:sc= -2.93! K(o=-6!,f=0.97) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.9! C(o=-1.9!,f=-5.1!) USER MOD Single : A 50 GLN : amide:sc= -0.841 K(o=-0.84,f=-3.9!) USER MOD Single : A 60 LYS NZ :NH3+ 138:sc= -2.87! (180deg=-3.91!) USER MOD Single : A 66 SER OG : rot 170:sc= 0 USER MOD Single : A 71 SER OG : rot -26:sc= -0.201 USER MOD Single : A 76 SER OG : rot 132:sc= -0.528 USER MOD Single : A 89 MET CE :methyl -145:sc= -4.42! (180deg=-6.93!) USER MOD Single : A 91 LYS NZ :NH3+ -166:sc= -0.0287 (180deg=-0.226) USER MOD Single : A 95 THR OG1 : rot -74:sc= 0.55 USER MOD Single : A 97 THR OG1 : rot -96:sc= 0.0103 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.215 X(o=-0.22,f=-0.46) USER MOD Single : A 107 TYR OH : rot 85:sc= -2.78! USER MOD Single : A 110 THR OG1 : rot -31:sc= 0.822 USER MOD Single : A 111 HIS : no HE2:sc= -2.86 K(o=-2.9,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 347 N ALA A 23 -12.160 -0.046 4.956 1.00 0.00 N ATOM 348 CA ALA A 23 -12.074 -1.468 4.649 1.00 0.00 C ATOM 349 C ALA A 23 -10.628 -1.951 4.649 1.00 0.00 C ATOM 350 O ALA A 23 -10.324 -3.033 4.147 1.00 0.00 O ATOM 351 CB ALA A 23 -12.728 -1.752 3.307 1.00 0.00 C ATOM 0 HA ALA A 23 -12.606 -2.015 5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.659 -2.817 3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.777 -1.457 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.219 -1.186 2.527 1.00 0.00 H new ATOM 357 N PHE A 24 -9.742 -1.143 5.217 1.00 0.00 N ATOM 358 CA PHE A 24 -8.329 -1.482 5.286 1.00 0.00 C ATOM 359 C PHE A 24 -8.113 -2.731 6.128 1.00 0.00 C ATOM 360 O PHE A 24 -7.349 -3.624 5.759 1.00 0.00 O ATOM 361 CB PHE A 24 -7.541 -0.317 5.873 1.00 0.00 C ATOM 362 CG PHE A 24 -6.128 -0.268 5.387 1.00 0.00 C ATOM 363 CD1 PHE A 24 -5.220 -1.235 5.775 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.711 0.737 4.535 1.00 0.00 C ATOM 365 CE1 PHE A 24 -3.920 -1.201 5.322 1.00 0.00 C ATOM 366 CE2 PHE A 24 -4.410 0.779 4.078 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.511 -0.192 4.471 1.00 0.00 C ATOM 0 H PHE A 24 -9.980 -0.245 5.638 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.975 -1.682 4.275 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.040 0.618 5.618 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.544 -0.394 6.960 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.533 -2.026 6.441 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.411 1.498 4.224 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.220 -1.963 5.632 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.095 1.570 3.414 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.492 -0.163 4.115 1.00 0.00 H new ATOM 377 N GLU A 25 -8.778 -2.775 7.272 1.00 0.00 N ATOM 378 CA GLU A 25 -8.670 -3.908 8.180 1.00 0.00 C ATOM 379 C GLU A 25 -9.193 -5.207 7.562 1.00 0.00 C ATOM 380 O GLU A 25 -8.466 -6.197 7.518 1.00 0.00 O ATOM 381 CB GLU A 25 -9.407 -3.630 9.477 1.00 0.00 C ATOM 382 CG GLU A 25 -8.622 -2.776 10.458 1.00 0.00 C ATOM 383 CD GLU A 25 -7.375 -3.470 10.971 1.00 0.00 C ATOM 384 OE1 GLU A 25 -6.349 -3.447 10.261 1.00 0.00 O ATOM 385 OE2 GLU A 25 -7.425 -4.036 12.083 1.00 0.00 O ATOM 0 H GLU A 25 -9.401 -2.035 7.596 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.607 -4.041 8.384 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.349 -3.132 9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.655 -4.578 9.953 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.339 -1.841 9.974 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.262 -2.518 11.302 1.00 0.00 H new ATOM 392 N PRO A 26 -10.465 -5.244 7.088 1.00 0.00 N ATOM 393 CA PRO A 26 -11.027 -6.456 6.481 1.00 0.00 C ATOM 394 C PRO A 26 -10.157 -6.932 5.333 1.00 0.00 C ATOM 395 O PRO A 26 -10.282 -8.057 4.850 1.00 0.00 O ATOM 396 CB PRO A 26 -12.412 -6.025 5.980 1.00 0.00 C ATOM 397 CG PRO A 26 -12.406 -4.534 6.011 1.00 0.00 C ATOM 398 CD PRO A 26 -11.430 -4.134 7.081 1.00 0.00 C ATOM 0 HA PRO A 26 -11.084 -7.288 7.183 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.596 -6.395 4.971 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.201 -6.427 6.616 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.110 -4.127 5.044 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.401 -4.146 6.229 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.949 -3.183 6.852 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.918 -4.019 8.049 1.00 0.00 H new ATOM 406 N LEU A 27 -9.274 -6.041 4.911 1.00 0.00 N ATOM 407 CA LEU A 27 -8.336 -6.305 3.846 1.00 0.00 C ATOM 408 C LEU A 27 -7.090 -6.968 4.427 1.00 0.00 C ATOM 409 O LEU A 27 -6.526 -7.893 3.842 1.00 0.00 O ATOM 410 CB LEU A 27 -7.998 -4.973 3.179 1.00 0.00 C ATOM 411 CG LEU A 27 -6.572 -4.831 2.655 1.00 0.00 C ATOM 412 CD1 LEU A 27 -6.310 -5.822 1.531 1.00 0.00 C ATOM 413 CD2 LEU A 27 -6.320 -3.408 2.179 1.00 0.00 C ATOM 0 H LEU A 27 -9.192 -5.105 5.307 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.759 -6.981 3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.686 -4.820 2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.182 -4.173 3.896 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.884 -5.051 3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.288 -5.703 1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.449 -6.838 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.005 -5.636 0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.298 -3.324 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.018 -3.163 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.463 -2.716 3.009 1.00 0.00 H new ATOM 425 N LEU A 28 -6.677 -6.475 5.592 1.00 0.00 N ATOM 426 CA LEU A 28 -5.515 -7.004 6.296 1.00 0.00 C ATOM 427 C LEU A 28 -5.856 -8.339 6.952 1.00 0.00 C ATOM 428 O LEU A 28 -4.976 -9.153 7.231 1.00 0.00 O ATOM 429 CB LEU A 28 -5.046 -5.998 7.354 1.00 0.00 C ATOM 430 CG LEU A 28 -4.025 -6.528 8.365 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.734 -6.930 7.670 1.00 0.00 C ATOM 432 CD2 LEU A 28 -3.750 -5.485 9.438 1.00 0.00 C ATOM 0 H LEU A 28 -7.137 -5.701 6.072 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.710 -7.166 5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.613 -5.137 6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.918 -5.639 7.900 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.445 -7.414 8.841 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.024 -7.303 8.408 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.942 -7.712 6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.309 -6.064 7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.022 -5.877 10.149 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.354 -4.582 8.974 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.677 -5.248 9.961 1.00 0.00 H new ATOM 444 N GLU A 29 -7.147 -8.555 7.187 1.00 0.00 N ATOM 445 CA GLU A 29 -7.618 -9.784 7.809 1.00 0.00 C ATOM 446 C GLU A 29 -7.435 -10.969 6.864 1.00 0.00 C ATOM 447 O GLU A 29 -7.241 -12.103 7.301 1.00 0.00 O ATOM 448 CB GLU A 29 -9.093 -9.653 8.199 1.00 0.00 C ATOM 449 CG GLU A 29 -9.660 -10.899 8.863 1.00 0.00 C ATOM 450 CD GLU A 29 -11.105 -10.727 9.289 1.00 0.00 C ATOM 451 OE1 GLU A 29 -11.336 -10.277 10.431 1.00 0.00 O ATOM 452 OE2 GLU A 29 -12.005 -11.043 8.483 1.00 0.00 O ATOM 0 H GLU A 29 -7.886 -7.891 6.955 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.027 -9.959 8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.207 -8.807 8.876 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.678 -9.429 7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.586 -11.739 8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.055 -11.149 9.735 1.00 0.00 H new ATOM 459 N SER A 30 -7.500 -10.691 5.564 1.00 0.00 N ATOM 460 CA SER A 30 -7.348 -11.724 4.546 1.00 0.00 C ATOM 461 C SER A 30 -5.944 -12.324 4.566 1.00 0.00 C ATOM 462 O SER A 30 -5.749 -13.478 4.186 1.00 0.00 O ATOM 463 CB SER A 30 -7.648 -11.149 3.160 1.00 0.00 C ATOM 464 OG SER A 30 -9.018 -10.811 3.034 1.00 0.00 O ATOM 0 H SER A 30 -7.658 -9.755 5.191 1.00 0.00 H new ATOM 0 HA SER A 30 -8.060 -12.519 4.770 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.035 -10.264 2.989 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.378 -11.877 2.395 1.00 0.00 H new ATOM 0 HG SER A 30 -9.184 -10.444 2.140 1.00 0.00 H new ATOM 470 N LEU A 31 -4.969 -11.533 5.007 1.00 0.00 N ATOM 471 CA LEU A 31 -3.585 -11.994 5.072 1.00 0.00 C ATOM 472 C LEU A 31 -3.425 -13.116 6.095 1.00 0.00 C ATOM 473 O LEU A 31 -2.387 -13.776 6.147 1.00 0.00 O ATOM 474 CB LEU A 31 -2.650 -10.836 5.424 1.00 0.00 C ATOM 475 CG LEU A 31 -2.345 -9.865 4.279 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.475 -8.720 4.768 1.00 0.00 C ATOM 477 CD2 LEU A 31 -1.664 -10.591 3.128 1.00 0.00 C ATOM 0 H LEU A 31 -5.111 -10.574 5.323 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.319 -12.382 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.090 -10.273 6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.709 -11.249 5.788 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.289 -9.455 3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.269 -8.041 3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.995 -8.180 5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.536 -9.116 5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.456 -9.884 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.729 -11.030 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.319 -11.379 2.757 1.00 0.00 H new ATOM 489 N SER A 32 -4.459 -13.327 6.904 1.00 0.00 N ATOM 490 CA SER A 32 -4.431 -14.369 7.924 1.00 0.00 C ATOM 491 C SER A 32 -5.199 -15.602 7.455 1.00 0.00 C ATOM 492 O SER A 32 -5.549 -16.469 8.256 1.00 0.00 O ATOM 493 CB SER A 32 -5.029 -13.847 9.231 1.00 0.00 C ATOM 494 OG SER A 32 -4.330 -12.701 9.691 1.00 0.00 O ATOM 0 H SER A 32 -5.326 -12.790 6.873 1.00 0.00 H new ATOM 0 HA SER A 32 -3.392 -14.651 8.097 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.080 -13.600 9.080 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.991 -14.629 9.990 1.00 0.00 H new ATOM 0 HG SER A 32 -4.733 -12.386 10.527 1.00 0.00 H new ATOM 500 N ASN A 33 -5.451 -15.672 6.152 1.00 0.00 N ATOM 501 CA ASN A 33 -6.180 -16.791 5.569 1.00 0.00 C ATOM 502 C ASN A 33 -5.233 -17.919 5.173 1.00 0.00 C ATOM 503 O ASN A 33 -4.103 -17.673 4.752 1.00 0.00 O ATOM 504 CB ASN A 33 -6.967 -16.321 4.344 1.00 0.00 C ATOM 505 CG ASN A 33 -8.006 -17.330 3.903 1.00 0.00 C ATOM 506 OD1 ASN A 33 -8.279 -17.479 2.711 1.00 0.00 O ATOM 507 ND2 ASN A 33 -8.597 -18.025 4.866 1.00 0.00 N ATOM 0 H ASN A 33 -5.160 -14.964 5.478 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.871 -17.173 6.321 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.457 -15.375 4.572 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.276 -16.132 3.522 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.310 -18.716 4.632 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.339 -17.868 5.840 1.00 0.00 H new ATOM 514 N GLU A 34 -5.702 -19.156 5.311 1.00 0.00 N ATOM 515 CA GLU A 34 -4.898 -20.324 4.963 1.00 0.00 C ATOM 516 C GLU A 34 -4.665 -20.394 3.458 1.00 0.00 C ATOM 517 O GLU A 34 -3.661 -20.942 2.999 1.00 0.00 O ATOM 518 CB GLU A 34 -5.580 -21.608 5.440 1.00 0.00 C ATOM 519 CG GLU A 34 -5.715 -21.706 6.950 1.00 0.00 C ATOM 520 CD GLU A 34 -6.712 -20.713 7.516 1.00 0.00 C ATOM 521 OE1 GLU A 34 -7.929 -20.982 7.432 1.00 0.00 O ATOM 522 OE2 GLU A 34 -6.276 -19.668 8.042 1.00 0.00 O ATOM 0 H GLU A 34 -6.634 -19.376 5.661 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.934 -20.227 5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.571 -21.670 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.012 -22.466 5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.023 -22.717 7.218 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.741 -21.538 7.409 1.00 0.00 H new ATOM 529 N ASP A 35 -5.600 -19.837 2.696 1.00 0.00 N ATOM 530 CA ASP A 35 -5.501 -19.834 1.240 1.00 0.00 C ATOM 531 C ASP A 35 -4.484 -18.801 0.765 1.00 0.00 C ATOM 532 O ASP A 35 -4.329 -17.743 1.376 1.00 0.00 O ATOM 533 CB ASP A 35 -6.869 -19.552 0.618 1.00 0.00 C ATOM 534 CG ASP A 35 -6.867 -19.713 -0.889 1.00 0.00 C ATOM 535 OD1 ASP A 35 -6.926 -20.867 -1.362 1.00 0.00 O ATOM 536 OD2 ASP A 35 -6.808 -18.686 -1.594 1.00 0.00 O ATOM 0 H ASP A 35 -6.436 -19.381 3.062 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.162 -20.819 0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.607 -20.227 1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.177 -18.538 0.871 1.00 0.00 H new ATOM 541 N TRP A 36 -3.793 -19.114 -0.327 1.00 0.00 N ATOM 542 CA TRP A 36 -2.786 -18.216 -0.880 1.00 0.00 C ATOM 543 C TRP A 36 -3.411 -17.215 -1.848 1.00 0.00 C ATOM 544 O TRP A 36 -2.955 -16.076 -1.954 1.00 0.00 O ATOM 545 CB TRP A 36 -1.696 -19.021 -1.588 1.00 0.00 C ATOM 546 CG TRP A 36 -2.243 -20.100 -2.470 1.00 0.00 C ATOM 547 CD1 TRP A 36 -2.757 -19.951 -3.725 1.00 0.00 C ATOM 548 CD2 TRP A 36 -2.338 -21.495 -2.161 1.00 0.00 C ATOM 549 NE1 TRP A 36 -3.163 -21.168 -4.216 1.00 0.00 N ATOM 550 CE2 TRP A 36 -2.916 -22.130 -3.274 1.00 0.00 C ATOM 551 CE3 TRP A 36 -1.988 -22.269 -1.051 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -3.154 -23.500 -3.312 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -2.225 -23.631 -1.088 1.00 0.00 C ATOM 554 CH2 TRP A 36 -2.803 -24.232 -2.213 1.00 0.00 C ATOM 0 H TRP A 36 -3.913 -19.984 -0.846 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.342 -17.658 -0.056 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.085 -18.346 -2.187 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.040 -19.468 -0.841 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.834 -19.013 -4.255 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.580 -21.329 -5.133 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.541 -21.812 -0.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.599 -23.967 -4.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.960 -24.240 -0.236 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.975 -25.298 -2.212 1.00 0.00 H new ATOM 565 N ARG A 37 -4.454 -17.644 -2.552 1.00 0.00 N ATOM 566 CA ARG A 37 -5.136 -16.779 -3.508 1.00 0.00 C ATOM 567 C ARG A 37 -5.779 -15.595 -2.789 1.00 0.00 C ATOM 568 O ARG A 37 -5.872 -14.497 -3.337 1.00 0.00 O ATOM 569 CB ARG A 37 -6.200 -17.568 -4.280 1.00 0.00 C ATOM 570 CG ARG A 37 -6.370 -17.133 -5.731 1.00 0.00 C ATOM 571 CD ARG A 37 -6.854 -15.697 -5.840 1.00 0.00 C ATOM 572 NE ARG A 37 -7.197 -15.335 -7.213 1.00 0.00 N ATOM 573 CZ ARG A 37 -7.164 -14.090 -7.680 1.00 0.00 C ATOM 574 NH1 ARG A 37 -6.793 -13.092 -6.889 1.00 0.00 N ATOM 575 NH2 ARG A 37 -7.501 -13.841 -8.938 1.00 0.00 N ATOM 0 H ARG A 37 -4.845 -18.583 -2.479 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.399 -16.401 -4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.939 -18.626 -4.258 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.156 -17.465 -3.767 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.420 -17.236 -6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.081 -17.794 -6.227 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.726 -15.559 -5.201 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.079 -15.025 -5.471 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.478 -16.080 -7.850 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.532 -13.279 -5.921 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.768 -12.138 -7.249 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.787 -14.605 -9.550 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.475 -12.885 -9.293 1.00 0.00 H new ATOM 589 N ILE A 38 -6.212 -15.826 -1.554 1.00 0.00 N ATOM 590 CA ILE A 38 -6.850 -14.783 -0.759 1.00 0.00 C ATOM 591 C ILE A 38 -5.813 -13.869 -0.108 1.00 0.00 C ATOM 592 O ILE A 38 -5.987 -12.652 -0.064 1.00 0.00 O ATOM 593 CB ILE A 38 -7.745 -15.385 0.343 1.00 0.00 C ATOM 594 CG1 ILE A 38 -8.744 -16.383 -0.255 1.00 0.00 C ATOM 595 CG2 ILE A 38 -8.471 -14.282 1.100 1.00 0.00 C ATOM 596 CD1 ILE A 38 -9.729 -15.762 -1.225 1.00 0.00 C ATOM 0 H ILE A 38 -6.133 -16.727 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.466 -14.200 -1.444 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.110 -15.923 1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.192 -17.171 -0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.298 -16.857 0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.098 -14.724 1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.741 -13.616 1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.094 -13.715 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.401 -16.532 -1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.309 -14.994 -0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.186 -15.313 -2.057 1.00 0.00 H new ATOM 608 N ARG A 39 -4.734 -14.463 0.394 1.00 0.00 N ATOM 609 CA ARG A 39 -3.676 -13.703 1.053 1.00 0.00 C ATOM 610 C ARG A 39 -2.986 -12.746 0.085 1.00 0.00 C ATOM 611 O ARG A 39 -2.796 -11.570 0.394 1.00 0.00 O ATOM 612 CB ARG A 39 -2.643 -14.651 1.668 1.00 0.00 C ATOM 613 CG ARG A 39 -1.531 -13.930 2.414 1.00 0.00 C ATOM 614 CD ARG A 39 -0.558 -14.907 3.055 1.00 0.00 C ATOM 615 NE ARG A 39 -1.205 -15.741 4.063 1.00 0.00 N ATOM 616 CZ ARG A 39 -0.570 -16.673 4.768 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.724 -16.889 4.575 1.00 0.00 N ATOM 618 NH2 ARG A 39 -1.230 -17.389 5.667 1.00 0.00 N ATOM 0 H ARG A 39 -4.569 -15.469 0.357 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.140 -13.111 1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.148 -15.332 2.353 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.205 -15.261 0.878 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.993 -13.280 1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.964 -13.290 3.183 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.122 -15.542 2.284 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.262 -14.354 3.514 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.200 -15.601 4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.235 -16.340 3.884 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.208 -17.605 5.117 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.225 -17.225 5.818 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.743 -18.104 6.207 1.00 0.00 H new ATOM 632 N GLY A 40 -2.607 -13.255 -1.082 1.00 0.00 N ATOM 633 CA GLY A 40 -1.935 -12.430 -2.070 1.00 0.00 C ATOM 634 C GLY A 40 -2.753 -11.221 -2.480 1.00 0.00 C ATOM 635 O GLY A 40 -2.248 -10.097 -2.488 1.00 0.00 O ATOM 0 H GLY A 40 -2.753 -14.225 -1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.978 -12.096 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.718 -13.032 -2.952 1.00 0.00 H new ATOM 639 N ALA A 41 -4.017 -11.454 -2.821 1.00 0.00 N ATOM 640 CA ALA A 41 -4.913 -10.380 -3.240 1.00 0.00 C ATOM 641 C ALA A 41 -4.927 -9.239 -2.229 1.00 0.00 C ATOM 642 O ALA A 41 -5.188 -8.089 -2.584 1.00 0.00 O ATOM 643 CB ALA A 41 -6.320 -10.920 -3.446 1.00 0.00 C ATOM 0 H ALA A 41 -4.445 -12.380 -2.815 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.541 -9.983 -4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.979 -10.110 -3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.304 -11.692 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.687 -11.346 -2.512 1.00 0.00 H new ATOM 649 N ALA A 42 -4.645 -9.557 -0.970 1.00 0.00 N ATOM 650 CA ALA A 42 -4.629 -8.550 0.084 1.00 0.00 C ATOM 651 C ALA A 42 -3.552 -7.502 -0.176 1.00 0.00 C ATOM 652 O ALA A 42 -3.842 -6.310 -0.255 1.00 0.00 O ATOM 653 CB ALA A 42 -4.421 -9.204 1.441 1.00 0.00 C ATOM 0 H ALA A 42 -4.425 -10.502 -0.655 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.596 -8.046 0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.412 -8.438 2.216 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.232 -9.906 1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.470 -9.737 1.446 1.00 0.00 H new ATOM 659 N ALA A 43 -2.306 -7.950 -0.315 1.00 0.00 N ATOM 660 CA ALA A 43 -1.197 -7.039 -0.575 1.00 0.00 C ATOM 661 C ALA A 43 -1.346 -6.382 -1.943 1.00 0.00 C ATOM 662 O ALA A 43 -0.885 -5.263 -2.163 1.00 0.00 O ATOM 663 CB ALA A 43 0.126 -7.776 -0.494 1.00 0.00 C ATOM 0 H ALA A 43 -2.041 -8.933 -0.252 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.213 -6.260 0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.942 -7.081 -0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.245 -8.202 0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.143 -8.575 -1.235 1.00 0.00 H new ATOM 669 N TRP A 44 -1.996 -7.095 -2.859 1.00 0.00 N ATOM 670 CA TRP A 44 -2.215 -6.602 -4.216 1.00 0.00 C ATOM 671 C TRP A 44 -2.954 -5.265 -4.213 1.00 0.00 C ATOM 672 O TRP A 44 -2.647 -4.375 -5.007 1.00 0.00 O ATOM 673 CB TRP A 44 -3.007 -7.630 -5.028 1.00 0.00 C ATOM 674 CG TRP A 44 -2.146 -8.479 -5.911 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.480 -9.617 -5.560 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.857 -8.255 -7.297 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.790 -10.111 -6.640 1.00 0.00 N ATOM 678 CE2 TRP A 44 -1.007 -9.294 -7.717 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.234 -7.277 -8.221 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.529 -9.383 -9.022 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.760 -7.366 -9.515 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.915 -8.414 -9.906 1.00 0.00 C ATOM 0 H TRP A 44 -2.383 -8.023 -2.684 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.239 -6.448 -4.676 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.561 -8.274 -4.345 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.742 -7.109 -5.641 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.493 -10.064 -4.577 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.210 -10.950 -6.640 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.884 -6.466 -7.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.123 -10.189 -9.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.045 -6.616 -10.238 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.562 -8.457 -10.926 1.00 0.00 H new ATOM 693 N ILE A 45 -3.929 -5.132 -3.319 1.00 0.00 N ATOM 694 CA ILE A 45 -4.724 -3.911 -3.224 1.00 0.00 C ATOM 695 C ILE A 45 -4.223 -2.994 -2.110 1.00 0.00 C ATOM 696 O ILE A 45 -4.415 -1.779 -2.160 1.00 0.00 O ATOM 697 CB ILE A 45 -6.212 -4.235 -2.976 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.731 -5.195 -4.049 1.00 0.00 C ATOM 699 CG2 ILE A 45 -7.041 -2.958 -2.957 1.00 0.00 C ATOM 700 CD1 ILE A 45 -8.110 -5.746 -3.757 1.00 0.00 C ATOM 0 H ILE A 45 -4.188 -5.856 -2.649 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.618 -3.395 -4.178 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.305 -4.718 -2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.752 -4.677 -5.008 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.032 -6.025 -4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.088 -3.206 -2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.684 -2.304 -2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.945 -2.448 -3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.411 -6.418 -4.561 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.091 -6.293 -2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.822 -4.924 -3.685 1.00 0.00 H new ATOM 712 N ILE A 46 -3.577 -3.581 -1.106 1.00 0.00 N ATOM 713 CA ILE A 46 -3.063 -2.814 0.024 1.00 0.00 C ATOM 714 C ILE A 46 -2.089 -1.730 -0.436 1.00 0.00 C ATOM 715 O ILE A 46 -1.849 -0.755 0.277 1.00 0.00 O ATOM 716 CB ILE A 46 -2.372 -3.733 1.059 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.654 -3.234 2.478 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.871 -3.813 0.806 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.195 -4.189 3.560 1.00 0.00 C ATOM 0 H ILE A 46 -3.397 -4.584 -1.052 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.919 -2.334 0.499 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.782 -4.737 0.952 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.161 -2.273 2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.725 -3.062 2.587 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.411 -4.465 1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.691 -4.214 -0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.436 -2.816 0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.428 -3.769 4.539 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.707 -5.144 3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.119 -4.342 3.478 1.00 0.00 H new ATOM 731 N GLY A 47 -1.533 -1.907 -1.631 1.00 0.00 N ATOM 732 CA GLY A 47 -0.593 -0.939 -2.165 1.00 0.00 C ATOM 733 C GLY A 47 -1.270 0.326 -2.652 1.00 0.00 C ATOM 734 O GLY A 47 -0.666 1.399 -2.655 1.00 0.00 O ATOM 0 H GLY A 47 -1.717 -2.705 -2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.135 -0.683 -1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.041 -1.391 -2.989 1.00 0.00 H new ATOM 738 N ASN A 48 -2.528 0.203 -3.064 1.00 0.00 N ATOM 739 CA ASN A 48 -3.289 1.341 -3.554 1.00 0.00 C ATOM 740 C ASN A 48 -3.417 2.417 -2.480 1.00 0.00 C ATOM 741 O ASN A 48 -3.497 3.607 -2.788 1.00 0.00 O ATOM 742 CB ASN A 48 -4.679 0.892 -4.003 1.00 0.00 C ATOM 743 CG ASN A 48 -4.656 0.089 -5.292 1.00 0.00 C ATOM 744 OD1 ASN A 48 -5.599 0.136 -6.080 1.00 0.00 O ATOM 745 ND2 ASN A 48 -3.579 -0.659 -5.510 1.00 0.00 N ATOM 0 H ASN A 48 -3.041 -0.678 -3.067 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.754 1.764 -4.404 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.133 0.291 -3.215 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.312 1.769 -4.139 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.513 -1.223 -6.357 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.819 -0.669 -4.830 1.00 0.00 H new ATOM 752 N PHE A 49 -3.434 1.992 -1.220 1.00 0.00 N ATOM 753 CA PHE A 49 -3.558 2.921 -0.104 1.00 0.00 C ATOM 754 C PHE A 49 -2.218 3.105 0.601 1.00 0.00 C ATOM 755 O PHE A 49 -1.756 2.218 1.319 1.00 0.00 O ATOM 756 CB PHE A 49 -4.610 2.421 0.888 1.00 0.00 C ATOM 757 CG PHE A 49 -5.888 1.969 0.237 1.00 0.00 C ATOM 758 CD1 PHE A 49 -6.589 2.812 -0.612 1.00 0.00 C ATOM 759 CD2 PHE A 49 -6.388 0.699 0.476 1.00 0.00 C ATOM 760 CE1 PHE A 49 -7.763 2.395 -1.210 1.00 0.00 C ATOM 761 CE2 PHE A 49 -7.562 0.277 -0.118 1.00 0.00 C ATOM 762 CZ PHE A 49 -8.250 1.126 -0.963 1.00 0.00 C ATOM 0 H PHE A 49 -3.364 1.012 -0.948 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.874 3.887 -0.499 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.192 1.593 1.461 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.836 3.218 1.597 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.213 3.805 -0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.853 0.031 1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.299 3.061 -1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.941 -0.715 0.078 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.167 0.798 -1.430 1.00 0.00 H new ATOM 772 N GLN A 50 -1.596 4.261 0.382 1.00 0.00 N ATOM 773 CA GLN A 50 -0.309 4.573 0.997 1.00 0.00 C ATOM 774 C GLN A 50 -0.445 4.721 2.509 1.00 0.00 C ATOM 775 O GLN A 50 -0.521 5.834 3.030 1.00 0.00 O ATOM 776 CB GLN A 50 0.259 5.860 0.396 1.00 0.00 C ATOM 777 CG GLN A 50 1.399 5.627 -0.581 1.00 0.00 C ATOM 778 CD GLN A 50 1.556 6.762 -1.577 1.00 0.00 C ATOM 779 OE1 GLN A 50 1.991 6.552 -2.709 1.00 0.00 O ATOM 780 NE2 GLN A 50 1.203 7.975 -1.163 1.00 0.00 N ATOM 0 H GLN A 50 -1.964 4.999 -0.219 1.00 0.00 H new ATOM 0 HA GLN A 50 0.374 3.748 0.795 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.541 6.396 -0.114 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.610 6.503 1.203 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.329 5.505 -0.026 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.225 4.696 -1.121 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.847 8.107 -0.216 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.288 8.773 -1.792 1.00 0.00 H new ATOM 789 N ASP A 51 -0.485 3.591 3.209 1.00 0.00 N ATOM 790 CA ASP A 51 -0.616 3.593 4.661 1.00 0.00 C ATOM 791 C ASP A 51 0.469 2.735 5.310 1.00 0.00 C ATOM 792 O ASP A 51 1.023 1.837 4.676 1.00 0.00 O ATOM 793 CB ASP A 51 -2.003 3.090 5.061 1.00 0.00 C ATOM 794 CG ASP A 51 -2.254 3.208 6.550 1.00 0.00 C ATOM 795 OD1 ASP A 51 -2.259 4.348 7.061 1.00 0.00 O ATOM 796 OD2 ASP A 51 -2.444 2.164 7.206 1.00 0.00 O ATOM 0 H ASP A 51 -0.428 2.662 2.793 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.493 4.616 5.016 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.761 3.657 4.522 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.109 2.048 4.759 1.00 0.00 H new ATOM 801 N GLU A 52 0.767 3.018 6.577 1.00 0.00 N ATOM 802 CA GLU A 52 1.788 2.270 7.307 1.00 0.00 C ATOM 803 C GLU A 52 1.367 0.816 7.500 1.00 0.00 C ATOM 804 O GLU A 52 2.207 -0.078 7.598 1.00 0.00 O ATOM 805 CB GLU A 52 2.057 2.920 8.666 1.00 0.00 C ATOM 806 CG GLU A 52 0.849 2.922 9.591 1.00 0.00 C ATOM 807 CD GLU A 52 1.151 3.534 10.945 1.00 0.00 C ATOM 808 OE1 GLU A 52 1.179 4.779 11.042 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.360 2.768 11.909 1.00 0.00 O ATOM 0 H GLU A 52 0.318 3.757 7.117 1.00 0.00 H new ATOM 0 HA GLU A 52 2.704 2.288 6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.877 2.394 9.155 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.386 3.947 8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.036 3.475 9.120 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.500 1.899 9.729 1.00 0.00 H new ATOM 816 N ARG A 53 0.059 0.592 7.557 1.00 0.00 N ATOM 817 CA ARG A 53 -0.485 -0.750 7.737 1.00 0.00 C ATOM 818 C ARG A 53 -0.248 -1.602 6.491 1.00 0.00 C ATOM 819 O ARG A 53 -0.468 -2.813 6.503 1.00 0.00 O ATOM 820 CB ARG A 53 -1.982 -0.670 8.057 1.00 0.00 C ATOM 821 CG ARG A 53 -2.616 -2.012 8.383 1.00 0.00 C ATOM 822 CD ARG A 53 -3.865 -1.841 9.232 1.00 0.00 C ATOM 823 NE ARG A 53 -3.564 -1.259 10.538 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.489 -0.808 11.379 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.773 -0.856 11.047 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.133 -0.305 12.553 1.00 0.00 N ATOM 0 H ARG A 53 -0.647 1.325 7.481 1.00 0.00 H new ATOM 0 HA ARG A 53 0.029 -1.224 8.573 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.127 0.004 8.901 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.502 -0.231 7.206 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.870 -2.531 7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.897 -2.637 8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.576 -1.204 8.706 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.346 -2.810 9.369 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.586 -1.195 10.821 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.052 -1.240 10.144 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.481 -0.509 11.695 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.147 -0.264 12.812 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.845 0.041 13.197 1.00 0.00 H new ATOM 840 N ALA A 54 0.209 -0.959 5.419 1.00 0.00 N ATOM 841 CA ALA A 54 0.467 -1.649 4.161 1.00 0.00 C ATOM 842 C ALA A 54 1.961 -1.837 3.950 1.00 0.00 C ATOM 843 O ALA A 54 2.412 -2.134 2.844 1.00 0.00 O ATOM 844 CB ALA A 54 -0.131 -0.867 3.000 1.00 0.00 C ATOM 0 H ALA A 54 0.408 0.041 5.398 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.003 -2.632 4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.068 -1.393 2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.208 -0.773 3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.318 0.126 2.961 1.00 0.00 H new ATOM 850 N VAL A 55 2.723 -1.659 5.020 1.00 0.00 N ATOM 851 CA VAL A 55 4.170 -1.786 4.956 1.00 0.00 C ATOM 852 C VAL A 55 4.638 -3.207 5.274 1.00 0.00 C ATOM 853 O VAL A 55 5.306 -3.841 4.458 1.00 0.00 O ATOM 854 CB VAL A 55 4.845 -0.794 5.917 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.353 -0.894 5.815 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.382 0.626 5.627 1.00 0.00 C ATOM 0 H VAL A 55 2.361 -1.426 5.945 1.00 0.00 H new ATOM 0 HA VAL A 55 4.462 -1.557 3.931 1.00 0.00 H new ATOM 0 HB VAL A 55 4.554 -1.050 6.936 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.812 -0.184 6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.669 -1.905 6.073 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.665 -0.665 4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.869 1.316 6.316 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.643 0.892 4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.301 0.689 5.754 1.00 0.00 H new ATOM 866 N GLU A 56 4.289 -3.702 6.460 1.00 0.00 N ATOM 867 CA GLU A 56 4.694 -5.045 6.874 1.00 0.00 C ATOM 868 C GLU A 56 4.235 -6.109 5.874 1.00 0.00 C ATOM 869 O GLU A 56 5.030 -6.958 5.473 1.00 0.00 O ATOM 870 CB GLU A 56 4.152 -5.376 8.267 1.00 0.00 C ATOM 871 CG GLU A 56 4.766 -6.632 8.864 1.00 0.00 C ATOM 872 CD GLU A 56 3.942 -7.202 10.002 1.00 0.00 C ATOM 873 OE1 GLU A 56 3.046 -8.027 9.730 1.00 0.00 O ATOM 874 OE2 GLU A 56 4.194 -6.823 11.165 1.00 0.00 O ATOM 0 H GLU A 56 3.730 -3.197 7.148 1.00 0.00 H new ATOM 0 HA GLU A 56 5.784 -5.053 6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.342 -4.534 8.933 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.071 -5.500 8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.871 -7.386 8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.769 -6.405 9.225 1.00 0.00 H new ATOM 881 N PRO A 57 2.945 -6.091 5.463 1.00 0.00 N ATOM 882 CA PRO A 57 2.412 -7.065 4.506 1.00 0.00 C ATOM 883 C PRO A 57 3.370 -7.337 3.357 1.00 0.00 C ATOM 884 O PRO A 57 3.642 -8.488 3.023 1.00 0.00 O ATOM 885 CB PRO A 57 1.151 -6.383 3.993 1.00 0.00 C ATOM 886 CG PRO A 57 0.673 -5.569 5.144 1.00 0.00 C ATOM 887 CD PRO A 57 1.905 -5.128 5.890 1.00 0.00 C ATOM 0 HA PRO A 57 2.239 -8.039 4.965 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.363 -5.758 3.126 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.402 -7.113 3.685 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.098 -4.709 4.800 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.017 -6.154 5.788 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.180 -4.104 5.636 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.751 -5.159 6.969 1.00 0.00 H new ATOM 895 N LEU A 58 3.886 -6.269 2.768 1.00 0.00 N ATOM 896 CA LEU A 58 4.810 -6.389 1.651 1.00 0.00 C ATOM 897 C LEU A 58 6.080 -7.121 2.067 1.00 0.00 C ATOM 898 O LEU A 58 6.556 -8.004 1.359 1.00 0.00 O ATOM 899 CB LEU A 58 5.162 -5.003 1.107 1.00 0.00 C ATOM 900 CG LEU A 58 4.002 -4.003 1.076 1.00 0.00 C ATOM 901 CD1 LEU A 58 4.435 -2.705 0.413 1.00 0.00 C ATOM 902 CD2 LEU A 58 2.798 -4.595 0.358 1.00 0.00 C ATOM 0 H LEU A 58 3.680 -5.309 3.045 1.00 0.00 H new ATOM 0 HA LEU A 58 4.321 -6.969 0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.965 -4.585 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.552 -5.115 0.095 1.00 0.00 H new ATOM 0 HG LEU A 58 3.712 -3.785 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.598 -2.006 0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.263 -2.269 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.755 -2.908 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.986 -3.867 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.073 -4.846 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.471 -5.496 0.877 1.00 0.00 H new ATOM 914 N ILE A 59 6.612 -6.752 3.224 1.00 0.00 N ATOM 915 CA ILE A 59 7.835 -7.358 3.737 1.00 0.00 C ATOM 916 C ILE A 59 7.742 -8.882 3.799 1.00 0.00 C ATOM 917 O ILE A 59 8.539 -9.588 3.181 1.00 0.00 O ATOM 918 CB ILE A 59 8.171 -6.827 5.148 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.334 -5.303 5.127 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.431 -7.493 5.684 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.447 -4.817 4.224 1.00 0.00 C ATOM 0 H ILE A 59 6.214 -6.033 3.828 1.00 0.00 H new ATOM 0 HA ILE A 59 8.625 -7.082 3.039 1.00 0.00 H new ATOM 0 HB ILE A 59 7.343 -7.073 5.813 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.395 -4.852 4.805 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.524 -4.954 6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.652 -7.106 6.679 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.277 -8.571 5.739 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.267 -7.279 5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.499 -3.729 4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.396 -5.238 4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.249 -5.134 3.200 1.00 0.00 H new ATOM 933 N LYS A 60 6.766 -9.377 4.548 1.00 0.00 N ATOM 934 CA LYS A 60 6.583 -10.815 4.734 1.00 0.00 C ATOM 935 C LYS A 60 6.091 -11.527 3.472 1.00 0.00 C ATOM 936 O LYS A 60 6.220 -12.748 3.361 1.00 0.00 O ATOM 937 CB LYS A 60 5.599 -11.061 5.874 1.00 0.00 C ATOM 938 CG LYS A 60 4.280 -10.330 5.696 1.00 0.00 C ATOM 939 CD LYS A 60 3.101 -11.259 5.914 1.00 0.00 C ATOM 940 CE LYS A 60 1.781 -10.535 5.721 1.00 0.00 C ATOM 941 NZ LYS A 60 0.622 -11.462 5.818 1.00 0.00 N ATOM 0 H LYS A 60 6.083 -8.802 5.041 1.00 0.00 H new ATOM 0 HA LYS A 60 7.562 -11.231 4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.406 -12.131 5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.056 -10.749 6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.225 -9.498 6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.230 -9.905 4.694 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.163 -12.097 5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.145 -11.675 6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.683 -9.751 6.472 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.774 -10.046 4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.138 -11.012 6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.274 -11.684 4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.918 -12.340 6.291 1.00 0.00 H new ATOM 955 N LEU A 61 5.530 -10.782 2.525 1.00 0.00 N ATOM 956 CA LEU A 61 5.000 -11.394 1.307 1.00 0.00 C ATOM 957 C LEU A 61 6.042 -11.501 0.192 1.00 0.00 C ATOM 958 O LEU A 61 6.003 -12.441 -0.604 1.00 0.00 O ATOM 959 CB LEU A 61 3.781 -10.619 0.812 1.00 0.00 C ATOM 960 CG LEU A 61 2.592 -11.490 0.412 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.052 -12.250 1.615 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.500 -10.646 -0.216 1.00 0.00 C ATOM 0 H LEU A 61 5.430 -9.768 2.573 1.00 0.00 H new ATOM 0 HA LEU A 61 4.709 -12.411 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.463 -9.930 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.076 -10.014 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 61 2.935 -12.216 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.206 -12.864 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.835 -12.889 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.728 -11.542 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.661 -11.284 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.163 -9.896 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.889 -10.150 -1.105 1.00 0.00 H new ATOM 974 N LEU A 62 6.962 -10.546 0.126 1.00 0.00 N ATOM 975 CA LEU A 62 7.999 -10.559 -0.898 1.00 0.00 C ATOM 976 C LEU A 62 8.912 -11.761 -0.712 1.00 0.00 C ATOM 977 O LEU A 62 9.731 -12.077 -1.574 1.00 0.00 O ATOM 978 CB LEU A 62 8.811 -9.267 -0.837 1.00 0.00 C ATOM 979 CG LEU A 62 8.027 -8.003 -1.184 1.00 0.00 C ATOM 980 CD1 LEU A 62 8.639 -6.789 -0.506 1.00 0.00 C ATOM 981 CD2 LEU A 62 7.980 -7.808 -2.689 1.00 0.00 C ATOM 0 H LEU A 62 7.011 -9.755 0.768 1.00 0.00 H new ATOM 0 HA LEU A 62 7.523 -10.632 -1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.222 -9.159 0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.656 -9.353 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 62 7.007 -8.118 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.066 -5.899 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.622 -6.929 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.670 -6.667 -0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.418 -6.903 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.995 -7.714 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.493 -8.666 -3.152 1.00 0.00 H new ATOM 993 N GLU A 63 8.756 -12.431 0.422 1.00 0.00 N ATOM 994 CA GLU A 63 9.563 -13.599 0.737 1.00 0.00 C ATOM 995 C GLU A 63 8.704 -14.863 0.794 1.00 0.00 C ATOM 996 O GLU A 63 9.218 -15.960 1.012 1.00 0.00 O ATOM 997 CB GLU A 63 10.285 -13.387 2.067 1.00 0.00 C ATOM 998 CG GLU A 63 9.359 -13.001 3.208 1.00 0.00 C ATOM 999 CD GLU A 63 10.059 -13.016 4.554 1.00 0.00 C ATOM 1000 OE1 GLU A 63 10.784 -12.047 4.856 1.00 0.00 O ATOM 1001 OE2 GLU A 63 9.878 -13.997 5.306 1.00 0.00 O ATOM 0 H GLU A 63 8.075 -12.183 1.140 1.00 0.00 H new ATOM 0 HA GLU A 63 10.301 -13.731 -0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.814 -14.302 2.333 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.038 -12.609 1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.955 -12.006 3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.513 -13.688 3.234 1.00 0.00 H new ATOM 1008 N ASP A 64 7.396 -14.702 0.601 1.00 0.00 N ATOM 1009 CA ASP A 64 6.470 -15.834 0.635 1.00 0.00 C ATOM 1010 C ASP A 64 6.806 -16.848 -0.449 1.00 0.00 C ATOM 1011 O ASP A 64 6.578 -18.049 -0.291 1.00 0.00 O ATOM 1012 CB ASP A 64 5.026 -15.349 0.473 1.00 0.00 C ATOM 1013 CG ASP A 64 4.017 -16.381 0.941 1.00 0.00 C ATOM 1014 OD1 ASP A 64 3.946 -17.464 0.325 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.300 -16.105 1.925 1.00 0.00 O ATOM 0 H ASP A 64 6.954 -13.801 0.420 1.00 0.00 H new ATOM 0 HA ASP A 64 6.572 -16.323 1.604 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.889 -14.427 1.038 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.840 -15.111 -0.574 1.00 0.00 H new ATOM 1020 N ASP A 65 7.353 -16.348 -1.542 1.00 0.00 N ATOM 1021 CA ASP A 65 7.743 -17.183 -2.677 1.00 0.00 C ATOM 1022 C ASP A 65 6.582 -18.042 -3.179 1.00 0.00 C ATOM 1023 O ASP A 65 6.801 -19.111 -3.751 1.00 0.00 O ATOM 1024 CB ASP A 65 8.921 -18.081 -2.293 1.00 0.00 C ATOM 1025 CG ASP A 65 10.175 -17.288 -1.982 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.702 -16.625 -2.900 1.00 0.00 O ATOM 1027 OD2 ASP A 65 10.631 -17.329 -0.820 1.00 0.00 O ATOM 0 H ASP A 65 7.542 -15.354 -1.674 1.00 0.00 H new ATOM 0 HA ASP A 65 8.039 -16.515 -3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.649 -18.681 -1.424 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.126 -18.775 -3.108 1.00 0.00 H new ATOM 1032 N SER A 66 5.353 -17.577 -2.975 1.00 0.00 N ATOM 1033 CA SER A 66 4.179 -18.321 -3.426 1.00 0.00 C ATOM 1034 C SER A 66 3.864 -18.010 -4.887 1.00 0.00 C ATOM 1035 O SER A 66 3.161 -18.769 -5.556 1.00 0.00 O ATOM 1036 CB SER A 66 2.968 -18.001 -2.550 1.00 0.00 C ATOM 1037 OG SER A 66 1.807 -18.662 -3.024 1.00 0.00 O ATOM 0 H SER A 66 5.144 -16.696 -2.505 1.00 0.00 H new ATOM 0 HA SER A 66 4.404 -19.384 -3.339 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.169 -18.304 -1.522 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.798 -16.924 -2.538 1.00 0.00 H new ATOM 0 HG SER A 66 1.088 -18.574 -2.364 1.00 0.00 H new ATOM 1043 N GLY A 67 4.390 -16.890 -5.374 1.00 0.00 N ATOM 1044 CA GLY A 67 4.162 -16.494 -6.753 1.00 0.00 C ATOM 1045 C GLY A 67 3.468 -15.153 -6.863 1.00 0.00 C ATOM 1046 O GLY A 67 4.069 -14.120 -6.568 1.00 0.00 O ATOM 0 H GLY A 67 4.972 -16.248 -4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.116 -16.450 -7.278 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.559 -17.254 -7.251 1.00 0.00 H new ATOM 1050 N PHE A 68 2.208 -15.155 -7.300 1.00 0.00 N ATOM 1051 CA PHE A 68 1.458 -13.909 -7.422 1.00 0.00 C ATOM 1052 C PHE A 68 1.431 -13.207 -6.073 1.00 0.00 C ATOM 1053 O PHE A 68 1.305 -11.986 -5.993 1.00 0.00 O ATOM 1054 CB PHE A 68 0.030 -14.169 -7.927 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.009 -14.238 -6.840 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.296 -15.439 -6.214 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -1.703 -13.100 -6.448 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.251 -15.507 -5.219 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -2.658 -13.163 -5.453 1.00 0.00 C ATOM 1060 CZ PHE A 68 -2.933 -14.368 -4.838 1.00 0.00 C ATOM 0 H PHE A 68 1.693 -15.993 -7.571 1.00 0.00 H new ATOM 0 HA PHE A 68 1.952 -13.269 -8.154 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.245 -13.379 -8.626 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.019 -15.106 -8.484 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.767 -16.333 -6.507 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.493 -12.155 -6.927 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.465 -16.451 -4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.189 -12.271 -5.156 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.680 -14.420 -4.060 1.00 0.00 H new ATOM 1070 N VAL A 69 1.552 -14.001 -5.015 1.00 0.00 N ATOM 1071 CA VAL A 69 1.564 -13.478 -3.661 1.00 0.00 C ATOM 1072 C VAL A 69 2.837 -12.676 -3.427 1.00 0.00 C ATOM 1073 O VAL A 69 2.837 -11.681 -2.704 1.00 0.00 O ATOM 1074 CB VAL A 69 1.477 -14.617 -2.626 1.00 0.00 C ATOM 1075 CG1 VAL A 69 1.235 -14.068 -1.231 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.388 -15.607 -3.010 1.00 0.00 C ATOM 0 H VAL A 69 1.643 -15.015 -5.074 1.00 0.00 H new ATOM 0 HA VAL A 69 0.694 -12.832 -3.540 1.00 0.00 H new ATOM 0 HB VAL A 69 2.432 -15.142 -2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.178 -14.893 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.055 -13.406 -0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.298 -13.511 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.342 -16.404 -2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.573 -15.093 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.613 -16.035 -3.987 1.00 0.00 H new ATOM 1086 N ARG A 70 3.921 -13.121 -4.056 1.00 0.00 N ATOM 1087 CA ARG A 70 5.207 -12.449 -3.937 1.00 0.00 C ATOM 1088 C ARG A 70 5.255 -11.207 -4.824 1.00 0.00 C ATOM 1089 O ARG A 70 5.777 -10.165 -4.425 1.00 0.00 O ATOM 1090 CB ARG A 70 6.343 -13.403 -4.308 1.00 0.00 C ATOM 1091 CG ARG A 70 7.727 -12.841 -4.025 1.00 0.00 C ATOM 1092 CD ARG A 70 8.819 -13.800 -4.466 1.00 0.00 C ATOM 1093 NE ARG A 70 8.773 -14.054 -5.903 1.00 0.00 N ATOM 1094 CZ ARG A 70 9.421 -15.050 -6.499 1.00 0.00 C ATOM 1095 NH1 ARG A 70 10.160 -15.889 -5.785 1.00 0.00 N ATOM 1096 NH2 ARG A 70 9.329 -15.209 -7.811 1.00 0.00 N ATOM 0 H ARG A 70 3.932 -13.947 -4.655 1.00 0.00 H new ATOM 0 HA ARG A 70 5.332 -12.137 -2.900 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.219 -14.335 -3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.269 -13.648 -5.368 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.847 -11.889 -4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.828 -12.639 -2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.793 -13.388 -4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.714 -14.742 -3.927 1.00 0.00 H new ATOM 0 HE ARG A 70 8.211 -13.431 -6.483 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.233 -15.771 -4.774 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.655 -16.652 -6.247 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.761 -14.567 -8.364 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.826 -15.973 -8.268 1.00 0.00 H new ATOM 1110 N SER A 71 4.709 -11.329 -6.033 1.00 0.00 N ATOM 1111 CA SER A 71 4.690 -10.222 -6.987 1.00 0.00 C ATOM 1112 C SER A 71 3.796 -9.085 -6.505 1.00 0.00 C ATOM 1113 O SER A 71 4.122 -7.911 -6.680 1.00 0.00 O ATOM 1114 CB SER A 71 4.218 -10.708 -8.358 1.00 0.00 C ATOM 1115 OG SER A 71 2.861 -11.114 -8.316 1.00 0.00 O ATOM 0 H SER A 71 4.273 -12.185 -6.375 1.00 0.00 H new ATOM 0 HA SER A 71 5.708 -9.842 -7.071 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.340 -9.911 -9.092 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.840 -11.541 -8.686 1.00 0.00 H new ATOM 0 HG SER A 71 2.632 -11.397 -7.406 1.00 0.00 H new ATOM 1121 N GLY A 72 2.666 -9.442 -5.902 1.00 0.00 N ATOM 1122 CA GLY A 72 1.735 -8.443 -5.408 1.00 0.00 C ATOM 1123 C GLY A 72 2.396 -7.434 -4.491 1.00 0.00 C ATOM 1124 O GLY A 72 2.312 -6.228 -4.718 1.00 0.00 O ATOM 0 H GLY A 72 2.378 -10.408 -5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.286 -7.921 -6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.925 -8.939 -4.873 1.00 0.00 H new ATOM 1128 N ALA A 73 3.045 -7.930 -3.446 1.00 0.00 N ATOM 1129 CA ALA A 73 3.729 -7.072 -2.489 1.00 0.00 C ATOM 1130 C ALA A 73 4.744 -6.166 -3.178 1.00 0.00 C ATOM 1131 O ALA A 73 4.975 -5.037 -2.747 1.00 0.00 O ATOM 1132 CB ALA A 73 4.419 -7.918 -1.434 1.00 0.00 C ATOM 0 H ALA A 73 3.112 -8.927 -3.239 1.00 0.00 H new ATOM 0 HA ALA A 73 2.982 -6.437 -2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.928 -7.268 -0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.678 -8.521 -0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.147 -8.573 -1.912 1.00 0.00 H new ATOM 1138 N ALA A 74 5.346 -6.668 -4.252 1.00 0.00 N ATOM 1139 CA ALA A 74 6.343 -5.908 -4.994 1.00 0.00 C ATOM 1140 C ALA A 74 5.752 -4.629 -5.580 1.00 0.00 C ATOM 1141 O ALA A 74 6.157 -3.524 -5.216 1.00 0.00 O ATOM 1142 CB ALA A 74 6.949 -6.764 -6.095 1.00 0.00 C ATOM 0 H ALA A 74 5.160 -7.598 -4.627 1.00 0.00 H new ATOM 0 HA ALA A 74 7.129 -5.620 -4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.692 -6.182 -6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.426 -7.640 -5.654 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.164 -7.084 -6.780 1.00 0.00 H new ATOM 1148 N ARG A 75 4.796 -4.787 -6.492 1.00 0.00 N ATOM 1149 CA ARG A 75 4.147 -3.645 -7.136 1.00 0.00 C ATOM 1150 C ARG A 75 3.590 -2.668 -6.104 1.00 0.00 C ATOM 1151 O ARG A 75 3.561 -1.460 -6.337 1.00 0.00 O ATOM 1152 CB ARG A 75 3.026 -4.111 -8.073 1.00 0.00 C ATOM 1153 CG ARG A 75 2.454 -5.475 -7.721 1.00 0.00 C ATOM 1154 CD ARG A 75 1.255 -5.821 -8.588 1.00 0.00 C ATOM 1155 NE ARG A 75 1.474 -5.481 -9.991 1.00 0.00 N ATOM 1156 CZ ARG A 75 1.794 -6.368 -10.927 1.00 0.00 C ATOM 1157 NH1 ARG A 75 1.957 -7.645 -10.610 1.00 0.00 N ATOM 1158 NH2 ARG A 75 1.954 -5.978 -12.184 1.00 0.00 N ATOM 0 H ARG A 75 4.452 -5.696 -6.803 1.00 0.00 H new ATOM 0 HA ARG A 75 4.906 -3.128 -7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.222 -3.375 -8.055 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.408 -4.141 -9.093 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.225 -6.236 -7.845 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.160 -5.487 -6.671 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.042 -6.887 -8.503 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.377 -5.290 -8.220 1.00 0.00 H new ATOM 0 HE ARG A 75 1.375 -4.505 -10.269 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.837 -7.950 -9.644 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.203 -8.322 -11.332 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.831 -4.996 -12.433 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.200 -6.659 -12.902 1.00 0.00 H new ATOM 1172 N SER A 76 3.150 -3.196 -4.965 1.00 0.00 N ATOM 1173 CA SER A 76 2.601 -2.363 -3.900 1.00 0.00 C ATOM 1174 C SER A 76 3.601 -1.296 -3.476 1.00 0.00 C ATOM 1175 O SER A 76 3.233 -0.149 -3.222 1.00 0.00 O ATOM 1176 CB SER A 76 2.220 -3.226 -2.697 1.00 0.00 C ATOM 1177 OG SER A 76 1.916 -2.422 -1.570 1.00 0.00 O ATOM 0 H SER A 76 3.163 -4.194 -4.756 1.00 0.00 H new ATOM 0 HA SER A 76 1.708 -1.868 -4.282 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.360 -3.846 -2.948 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.041 -3.902 -2.455 1.00 0.00 H new ATOM 0 HG SER A 76 1.073 -2.723 -1.172 1.00 0.00 H new ATOM 1183 N LEU A 77 4.868 -1.683 -3.401 1.00 0.00 N ATOM 1184 CA LEU A 77 5.930 -0.763 -3.016 1.00 0.00 C ATOM 1185 C LEU A 77 6.052 0.370 -4.026 1.00 0.00 C ATOM 1186 O LEU A 77 5.935 1.543 -3.671 1.00 0.00 O ATOM 1187 CB LEU A 77 7.256 -1.510 -2.904 1.00 0.00 C ATOM 1188 CG LEU A 77 7.324 -2.531 -1.770 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.370 -3.586 -2.071 1.00 0.00 C ATOM 1190 CD2 LEU A 77 7.630 -1.839 -0.451 1.00 0.00 C ATOM 0 H LEU A 77 5.186 -2.631 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 77 5.680 -0.335 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.449 -2.022 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.056 -0.782 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 77 6.354 -3.021 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.406 -4.306 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.112 -4.101 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.345 -3.111 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.675 -2.580 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.589 -1.325 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.846 -1.115 -0.230 1.00 0.00 H new ATOM 1202 N GLU A 78 6.302 0.010 -5.282 1.00 0.00 N ATOM 1203 CA GLU A 78 6.422 0.995 -6.352 1.00 0.00 C ATOM 1204 C GLU A 78 5.232 1.950 -6.343 1.00 0.00 C ATOM 1205 O GLU A 78 5.376 3.138 -6.633 1.00 0.00 O ATOM 1206 CB GLU A 78 6.522 0.297 -7.708 1.00 0.00 C ATOM 1207 CG GLU A 78 6.752 1.251 -8.868 1.00 0.00 C ATOM 1208 CD GLU A 78 6.947 0.529 -10.186 1.00 0.00 C ATOM 1209 OE1 GLU A 78 5.934 0.203 -10.839 1.00 0.00 O ATOM 1210 OE2 GLU A 78 8.113 0.290 -10.565 1.00 0.00 O ATOM 0 H GLU A 78 6.425 -0.957 -5.583 1.00 0.00 H new ATOM 0 HA GLU A 78 7.331 1.572 -6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.337 -0.426 -7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.605 -0.265 -7.887 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.902 1.928 -8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.629 1.865 -8.661 1.00 0.00 H new ATOM 1217 N GLN A 79 4.056 1.423 -6.006 1.00 0.00 N ATOM 1218 CA GLN A 79 2.846 2.236 -5.947 1.00 0.00 C ATOM 1219 C GLN A 79 2.991 3.316 -4.883 1.00 0.00 C ATOM 1220 O GLN A 79 2.530 4.444 -5.056 1.00 0.00 O ATOM 1221 CB GLN A 79 1.624 1.362 -5.643 1.00 0.00 C ATOM 1222 CG GLN A 79 1.170 0.515 -6.819 1.00 0.00 C ATOM 1223 CD GLN A 79 -0.019 -0.363 -6.480 1.00 0.00 C ATOM 1224 OE1 GLN A 79 -1.170 0.049 -6.626 1.00 0.00 O ATOM 1225 NE2 GLN A 79 0.252 -1.583 -6.026 1.00 0.00 N ATOM 0 H GLN A 79 3.917 0.440 -5.771 1.00 0.00 H new ATOM 0 HA GLN A 79 2.702 2.710 -6.918 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.857 0.707 -4.804 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.800 2.002 -5.328 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.910 1.167 -7.653 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.997 -0.112 -7.151 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.221 -1.884 -5.920 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.509 -2.218 -5.784 1.00 0.00 H new ATOM 1234 N ILE A 80 3.641 2.956 -3.781 1.00 0.00 N ATOM 1235 CA ILE A 80 3.870 3.885 -2.683 1.00 0.00 C ATOM 1236 C ILE A 80 4.931 4.916 -3.058 1.00 0.00 C ATOM 1237 O ILE A 80 4.663 6.117 -3.073 1.00 0.00 O ATOM 1238 CB ILE A 80 4.306 3.135 -1.406 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.153 2.279 -0.875 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.778 4.118 -0.342 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.551 1.364 0.264 1.00 0.00 C ATOM 0 H ILE A 80 4.020 2.022 -3.626 1.00 0.00 H new ATOM 0 HA ILE A 80 2.929 4.399 -2.485 1.00 0.00 H new ATOM 0 HB ILE A 80 5.139 2.478 -1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.350 2.935 -0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.753 1.677 -1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.081 3.570 0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.625 4.688 -0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.966 4.800 -0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.684 0.789 0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.333 0.683 -0.072 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.923 1.961 1.097 1.00 0.00 H new ATOM 1253 N GLY A 81 6.135 4.435 -3.361 1.00 0.00 N ATOM 1254 CA GLY A 81 7.221 5.322 -3.739 1.00 0.00 C ATOM 1255 C GLY A 81 7.558 6.332 -2.659 1.00 0.00 C ATOM 1256 O GLY A 81 6.893 7.360 -2.533 1.00 0.00 O ATOM 0 H GLY A 81 6.377 3.444 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.107 4.729 -3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.951 5.851 -4.653 1.00 0.00 H new ATOM 1260 N GLY A 82 8.597 6.043 -1.883 1.00 0.00 N ATOM 1261 CA GLY A 82 9.005 6.945 -0.820 1.00 0.00 C ATOM 1262 C GLY A 82 10.097 6.360 0.054 1.00 0.00 C ATOM 1263 O GLY A 82 10.680 5.328 -0.276 1.00 0.00 O ATOM 0 H GLY A 82 9.165 5.200 -1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.356 7.880 -1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.140 7.187 -0.202 1.00 0.00 H new ATOM 1267 N GLU A 83 10.380 7.025 1.170 1.00 0.00 N ATOM 1268 CA GLU A 83 11.407 6.563 2.095 1.00 0.00 C ATOM 1269 C GLU A 83 10.940 5.321 2.845 1.00 0.00 C ATOM 1270 O GLU A 83 11.745 4.471 3.224 1.00 0.00 O ATOM 1271 CB GLU A 83 11.764 7.669 3.091 1.00 0.00 C ATOM 1272 CG GLU A 83 12.960 7.336 3.969 1.00 0.00 C ATOM 1273 CD GLU A 83 13.204 8.377 5.044 1.00 0.00 C ATOM 1274 OE1 GLU A 83 12.614 8.250 6.138 1.00 0.00 O ATOM 1275 OE2 GLU A 83 13.985 9.319 4.793 1.00 0.00 O ATOM 0 H GLU A 83 9.912 7.885 1.455 1.00 0.00 H new ATOM 0 HA GLU A 83 12.294 6.307 1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.972 8.587 2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.901 7.866 3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.802 6.365 4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.850 7.248 3.346 1.00 0.00 H new ATOM 1282 N ARG A 84 9.629 5.225 3.057 1.00 0.00 N ATOM 1283 CA ARG A 84 9.047 4.090 3.761 1.00 0.00 C ATOM 1284 C ARG A 84 9.358 2.781 3.040 1.00 0.00 C ATOM 1285 O ARG A 84 9.826 1.822 3.655 1.00 0.00 O ATOM 1286 CB ARG A 84 7.527 4.269 3.932 1.00 0.00 C ATOM 1287 CG ARG A 84 6.737 4.365 2.630 1.00 0.00 C ATOM 1288 CD ARG A 84 6.779 5.766 2.035 1.00 0.00 C ATOM 1289 NE ARG A 84 6.385 6.783 3.006 1.00 0.00 N ATOM 1290 CZ ARG A 84 6.409 8.090 2.760 1.00 0.00 C ATOM 1291 NH1 ARG A 84 6.819 8.540 1.581 1.00 0.00 N ATOM 1292 NH2 ARG A 84 6.020 8.949 3.693 1.00 0.00 N ATOM 0 H ARG A 84 8.951 5.922 2.750 1.00 0.00 H new ATOM 0 HA ARG A 84 9.498 4.046 4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.141 3.431 4.512 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.346 5.171 4.516 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.140 3.654 1.909 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.701 4.081 2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.786 5.978 1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.116 5.813 1.171 1.00 0.00 H new ATOM 0 HE ARG A 84 6.073 6.473 3.926 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.117 7.883 0.860 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.836 9.543 1.396 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.702 8.607 4.600 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.039 9.951 3.503 1.00 0.00 H new ATOM 1306 N VAL A 85 9.093 2.745 1.740 1.00 0.00 N ATOM 1307 CA VAL A 85 9.357 1.556 0.941 1.00 0.00 C ATOM 1308 C VAL A 85 10.856 1.348 0.762 1.00 0.00 C ATOM 1309 O VAL A 85 11.319 0.229 0.544 1.00 0.00 O ATOM 1310 CB VAL A 85 8.689 1.647 -0.441 1.00 0.00 C ATOM 1311 CG1 VAL A 85 7.176 1.560 -0.309 1.00 0.00 C ATOM 1312 CG2 VAL A 85 9.093 2.930 -1.146 1.00 0.00 C ATOM 0 H VAL A 85 8.696 3.525 1.217 1.00 0.00 H new ATOM 0 HA VAL A 85 8.934 0.707 1.478 1.00 0.00 H new ATOM 0 HB VAL A 85 9.029 0.805 -1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.720 1.626 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.905 0.611 0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.817 2.381 0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.610 2.976 -2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.784 3.787 -0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.175 2.949 -1.275 1.00 0.00 H new ATOM 1322 N ARG A 86 11.603 2.445 0.855 1.00 0.00 N ATOM 1323 CA ARG A 86 13.055 2.404 0.709 1.00 0.00 C ATOM 1324 C ARG A 86 13.663 1.420 1.702 1.00 0.00 C ATOM 1325 O ARG A 86 14.717 0.837 1.451 1.00 0.00 O ATOM 1326 CB ARG A 86 13.641 3.804 0.926 1.00 0.00 C ATOM 1327 CG ARG A 86 14.870 4.103 0.076 1.00 0.00 C ATOM 1328 CD ARG A 86 16.105 3.381 0.591 1.00 0.00 C ATOM 1329 NE ARG A 86 17.302 3.744 -0.163 1.00 0.00 N ATOM 1330 CZ ARG A 86 18.517 3.828 0.375 1.00 0.00 C ATOM 1331 NH1 ARG A 86 18.694 3.584 1.667 1.00 0.00 N ATOM 1332 NH2 ARG A 86 19.555 4.156 -0.382 1.00 0.00 N ATOM 0 H ARG A 86 11.225 3.376 1.031 1.00 0.00 H new ATOM 0 HA ARG A 86 13.296 2.070 -0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.873 4.546 0.708 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.904 3.917 1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.679 3.806 -0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.054 5.177 0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 86 16.253 3.620 1.644 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.949 2.304 0.528 1.00 0.00 H new ATOM 0 HE ARG A 86 17.201 3.945 -1.158 1.00 0.00 H new ATOM 0 HH11 ARG A 86 17.898 3.331 2.252 1.00 0.00 H new ATOM 0 HH12 ARG A 86 19.626 3.649 2.075 1.00 0.00 H new ATOM 0 HH21 ARG A 86 19.422 4.344 -1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 86 20.486 4.221 0.029 1.00 0.00 H new ATOM 1346 N ALA A 87 12.982 1.231 2.828 1.00 0.00 N ATOM 1347 CA ALA A 87 13.450 0.318 3.861 1.00 0.00 C ATOM 1348 C ALA A 87 13.086 -1.119 3.516 1.00 0.00 C ATOM 1349 O ALA A 87 13.834 -2.051 3.819 1.00 0.00 O ATOM 1350 CB ALA A 87 12.870 0.702 5.214 1.00 0.00 C ATOM 0 H ALA A 87 12.103 1.700 3.047 1.00 0.00 H new ATOM 0 HA ALA A 87 14.536 0.393 3.915 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.230 0.009 5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.182 1.715 5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.782 0.658 5.169 1.00 0.00 H new ATOM 1356 N ALA A 88 11.930 -1.291 2.883 1.00 0.00 N ATOM 1357 CA ALA A 88 11.462 -2.613 2.492 1.00 0.00 C ATOM 1358 C ALA A 88 12.470 -3.298 1.582 1.00 0.00 C ATOM 1359 O ALA A 88 12.839 -4.450 1.808 1.00 0.00 O ATOM 1360 CB ALA A 88 10.109 -2.513 1.806 1.00 0.00 C ATOM 0 H ALA A 88 11.300 -0.529 2.630 1.00 0.00 H new ATOM 0 HA ALA A 88 11.353 -3.217 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.772 -3.509 1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.386 -2.068 2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.197 -1.890 0.916 1.00 0.00 H new ATOM 1366 N MET A 89 12.913 -2.585 0.552 1.00 0.00 N ATOM 1367 CA MET A 89 13.888 -3.131 -0.383 1.00 0.00 C ATOM 1368 C MET A 89 15.157 -3.485 0.366 1.00 0.00 C ATOM 1369 O MET A 89 15.723 -4.561 0.183 1.00 0.00 O ATOM 1370 CB MET A 89 14.214 -2.134 -1.492 1.00 0.00 C ATOM 1371 CG MET A 89 13.141 -1.089 -1.728 1.00 0.00 C ATOM 1372 SD MET A 89 11.473 -1.776 -1.816 1.00 0.00 S ATOM 1373 CE MET A 89 11.637 -2.927 -3.178 1.00 0.00 C ATOM 0 H MET A 89 12.614 -1.632 0.345 1.00 0.00 H new ATOM 0 HA MET A 89 13.460 -4.022 -0.842 1.00 0.00 H new ATOM 0 HB2 MET A 89 15.149 -1.629 -1.247 1.00 0.00 H new ATOM 0 HB3 MET A 89 14.381 -2.682 -2.419 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.180 -0.352 -0.926 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.357 -0.561 -2.657 1.00 0.00 H new ATOM 0 HE1 MET A 89 10.707 -2.954 -3.746 1.00 0.00 H new ATOM 0 HE2 MET A 89 12.451 -2.607 -3.829 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.854 -3.922 -2.789 1.00 0.00 H new ATOM 1383 N GLU A 90 15.604 -2.555 1.203 1.00 0.00 N ATOM 1384 CA GLU A 90 16.796 -2.763 2.010 1.00 0.00 C ATOM 1385 C GLU A 90 16.674 -4.059 2.797 1.00 0.00 C ATOM 1386 O GLU A 90 17.666 -4.742 3.053 1.00 0.00 O ATOM 1387 CB GLU A 90 16.999 -1.589 2.970 1.00 0.00 C ATOM 1388 CG GLU A 90 17.498 -0.325 2.291 1.00 0.00 C ATOM 1389 CD GLU A 90 18.855 -0.508 1.638 1.00 0.00 C ATOM 1390 OE1 GLU A 90 18.900 -1.000 0.490 1.00 0.00 O ATOM 1391 OE2 GLU A 90 19.872 -0.158 2.273 1.00 0.00 O ATOM 0 H GLU A 90 15.156 -1.649 1.339 1.00 0.00 H new ATOM 0 HA GLU A 90 17.658 -2.829 1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.055 -1.373 3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.711 -1.881 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.775 -0.013 1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.558 0.478 3.026 1.00 0.00 H new ATOM 1398 N LYS A 91 15.443 -4.391 3.178 1.00 0.00 N ATOM 1399 CA LYS A 91 15.181 -5.610 3.929 1.00 0.00 C ATOM 1400 C LYS A 91 15.296 -6.838 3.029 1.00 0.00 C ATOM 1401 O LYS A 91 15.682 -7.914 3.485 1.00 0.00 O ATOM 1402 CB LYS A 91 13.792 -5.557 4.572 1.00 0.00 C ATOM 1403 CG LYS A 91 13.458 -6.781 5.413 1.00 0.00 C ATOM 1404 CD LYS A 91 14.413 -6.933 6.585 1.00 0.00 C ATOM 1405 CE LYS A 91 14.062 -8.142 7.438 1.00 0.00 C ATOM 1406 NZ LYS A 91 12.707 -8.021 8.043 1.00 0.00 N ATOM 0 H LYS A 91 14.614 -3.832 2.978 1.00 0.00 H new ATOM 0 HA LYS A 91 15.930 -5.688 4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.726 -4.668 5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.042 -5.451 3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.436 -6.700 5.784 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.501 -7.674 4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 91 15.433 -7.032 6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.383 -6.033 7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.107 -9.043 6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.804 -8.256 8.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.597 -8.733 8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.591 -7.070 8.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.985 -8.176 7.311 1.00 0.00 H new ATOM 1420 N LEU A 92 14.963 -6.673 1.749 1.00 0.00 N ATOM 1421 CA LEU A 92 15.043 -7.782 0.801 1.00 0.00 C ATOM 1422 C LEU A 92 16.489 -8.041 0.400 1.00 0.00 C ATOM 1423 O LEU A 92 16.901 -9.187 0.232 1.00 0.00 O ATOM 1424 CB LEU A 92 14.211 -7.495 -0.448 1.00 0.00 C ATOM 1425 CG LEU A 92 12.776 -7.044 -0.190 1.00 0.00 C ATOM 1426 CD1 LEU A 92 12.142 -6.542 -1.477 1.00 0.00 C ATOM 1427 CD2 LEU A 92 11.958 -8.182 0.403 1.00 0.00 C ATOM 0 H LEU A 92 14.639 -5.793 1.349 1.00 0.00 H new ATOM 0 HA LEU A 92 14.643 -8.668 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.716 -6.725 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.186 -8.395 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 92 12.793 -6.225 0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.119 -6.224 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.716 -5.699 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.136 -7.343 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.938 -7.843 0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.945 -9.022 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.404 -8.498 1.346 1.00 0.00 H new ATOM 1439 N ALA A 93 17.249 -6.964 0.234 1.00 0.00 N ATOM 1440 CA ALA A 93 18.654 -7.065 -0.141 1.00 0.00 C ATOM 1441 C ALA A 93 19.411 -7.990 0.810 1.00 0.00 C ATOM 1442 O ALA A 93 20.352 -8.675 0.408 1.00 0.00 O ATOM 1443 CB ALA A 93 19.297 -5.687 -0.155 1.00 0.00 C ATOM 0 H ALA A 93 16.914 -6.008 0.354 1.00 0.00 H new ATOM 0 HA ALA A 93 18.706 -7.491 -1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 93 20.346 -5.778 -0.437 1.00 0.00 H new ATOM 0 HB2 ALA A 93 18.781 -5.052 -0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.225 -5.242 0.837 1.00 0.00 H new ATOM 1449 N GLU A 94 18.991 -8.007 2.072 1.00 0.00 N ATOM 1450 CA GLU A 94 19.625 -8.849 3.080 1.00 0.00 C ATOM 1451 C GLU A 94 19.041 -10.259 3.050 1.00 0.00 C ATOM 1452 O GLU A 94 19.654 -11.209 3.537 1.00 0.00 O ATOM 1453 CB GLU A 94 19.444 -8.236 4.471 1.00 0.00 C ATOM 1454 CG GLU A 94 20.252 -8.932 5.554 1.00 0.00 C ATOM 1455 CD GLU A 94 21.747 -8.832 5.320 1.00 0.00 C ATOM 1456 OE1 GLU A 94 22.328 -7.773 5.639 1.00 0.00 O ATOM 1457 OE2 GLU A 94 22.336 -9.812 4.820 1.00 0.00 O ATOM 0 H GLU A 94 18.213 -7.446 2.420 1.00 0.00 H new ATOM 0 HA GLU A 94 20.690 -8.911 2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 94 19.730 -7.185 4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.388 -8.270 4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 94 20.009 -8.494 6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.964 -9.982 5.599 1.00 0.00 H new ATOM 1464 N THR A 95 17.851 -10.381 2.472 1.00 0.00 N ATOM 1465 CA THR A 95 17.172 -11.667 2.360 1.00 0.00 C ATOM 1466 C THR A 95 16.873 -11.989 0.900 1.00 0.00 C ATOM 1467 O THR A 95 15.817 -12.533 0.577 1.00 0.00 O ATOM 1468 CB THR A 95 15.855 -11.683 3.161 1.00 0.00 C ATOM 1469 OG1 THR A 95 14.990 -10.634 2.709 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.123 -11.518 4.648 1.00 0.00 C ATOM 0 H THR A 95 17.334 -9.599 2.071 1.00 0.00 H new ATOM 0 HA THR A 95 17.841 -12.422 2.773 1.00 0.00 H new ATOM 0 HB THR A 95 15.372 -12.646 2.999 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.324 -9.772 3.033 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.178 -11.532 5.192 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.755 -12.335 4.997 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.628 -10.568 4.823 1.00 0.00 H new ATOM 1478 N GLY A 96 17.818 -11.642 0.025 1.00 0.00 N ATOM 1479 CA GLY A 96 17.659 -11.879 -1.399 1.00 0.00 C ATOM 1480 C GLY A 96 17.059 -13.232 -1.719 1.00 0.00 C ATOM 1481 O GLY A 96 17.644 -14.271 -1.412 1.00 0.00 O ATOM 0 H GLY A 96 18.699 -11.197 0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.025 -11.099 -1.821 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.631 -11.797 -1.885 1.00 0.00 H new ATOM 1485 N THR A 97 15.884 -13.214 -2.340 1.00 0.00 N ATOM 1486 CA THR A 97 15.196 -14.441 -2.711 1.00 0.00 C ATOM 1487 C THR A 97 14.210 -14.195 -3.848 1.00 0.00 C ATOM 1488 O THR A 97 13.477 -13.204 -3.845 1.00 0.00 O ATOM 1489 CB THR A 97 14.448 -15.047 -1.508 1.00 0.00 C ATOM 1490 OG1 THR A 97 13.757 -16.237 -1.906 1.00 0.00 O ATOM 1491 CG2 THR A 97 13.456 -14.050 -0.925 1.00 0.00 C ATOM 0 H THR A 97 15.389 -12.360 -2.597 1.00 0.00 H new ATOM 0 HA THR A 97 15.957 -15.146 -3.046 1.00 0.00 H new ATOM 0 HB THR A 97 15.183 -15.294 -0.742 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.826 -16.018 -2.120 1.00 0.00 H new ATOM 0 HG21 THR A 97 12.941 -14.502 -0.077 1.00 0.00 H new ATOM 0 HG22 THR A 97 13.988 -13.159 -0.593 1.00 0.00 H new ATOM 0 HG23 THR A 97 12.727 -13.774 -1.687 1.00 0.00 H new ATOM 1499 N GLY A 98 14.200 -15.100 -4.823 1.00 0.00 N ATOM 1500 CA GLY A 98 13.302 -14.961 -5.956 1.00 0.00 C ATOM 1501 C GLY A 98 13.544 -13.681 -6.732 1.00 0.00 C ATOM 1502 O GLY A 98 14.682 -13.231 -6.858 1.00 0.00 O ATOM 0 H GLY A 98 14.797 -15.926 -4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.426 -15.815 -6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.271 -14.979 -5.603 1.00 0.00 H new ATOM 1506 N PHE A 99 12.471 -13.093 -7.255 1.00 0.00 N ATOM 1507 CA PHE A 99 12.578 -11.857 -8.019 1.00 0.00 C ATOM 1508 C PHE A 99 12.402 -10.647 -7.104 1.00 0.00 C ATOM 1509 O PHE A 99 12.716 -9.518 -7.484 1.00 0.00 O ATOM 1510 CB PHE A 99 11.542 -11.839 -9.152 1.00 0.00 C ATOM 1511 CG PHE A 99 10.281 -11.085 -8.834 1.00 0.00 C ATOM 1512 CD1 PHE A 99 9.401 -11.541 -7.864 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.975 -9.918 -9.515 1.00 0.00 C ATOM 1514 CE1 PHE A 99 8.240 -10.847 -7.581 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.815 -9.220 -9.235 1.00 0.00 C ATOM 1516 CZ PHE A 99 7.948 -9.684 -8.267 1.00 0.00 C ATOM 0 H PHE A 99 11.521 -13.453 -7.163 1.00 0.00 H new ATOM 0 HA PHE A 99 13.572 -11.806 -8.463 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.999 -11.399 -10.038 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.281 -12.867 -9.405 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.626 -12.449 -7.324 1.00 0.00 H new ATOM 0 HD2 PHE A 99 10.650 -9.549 -10.273 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.562 -11.213 -6.825 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.587 -8.312 -9.774 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.042 -9.139 -8.046 1.00 0.00 H new ATOM 1526 N ALA A 100 11.897 -10.896 -5.895 1.00 0.00 N ATOM 1527 CA ALA A 100 11.690 -9.834 -4.916 1.00 0.00 C ATOM 1528 C ALA A 100 12.982 -9.059 -4.699 1.00 0.00 C ATOM 1529 O ALA A 100 12.969 -7.846 -4.488 1.00 0.00 O ATOM 1530 CB ALA A 100 11.193 -10.415 -3.600 1.00 0.00 C ATOM 0 H ALA A 100 11.625 -11.825 -5.573 1.00 0.00 H new ATOM 0 HA ALA A 100 10.933 -9.150 -5.299 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.043 -9.610 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.249 -10.934 -3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.930 -11.117 -3.211 1.00 0.00 H new ATOM 1536 N ARG A 101 14.098 -9.779 -4.749 1.00 0.00 N ATOM 1537 CA ARG A 101 15.412 -9.175 -4.580 1.00 0.00 C ATOM 1538 C ARG A 101 15.724 -8.264 -5.758 1.00 0.00 C ATOM 1539 O ARG A 101 16.025 -7.084 -5.582 1.00 0.00 O ATOM 1540 CB ARG A 101 16.473 -10.265 -4.479 1.00 0.00 C ATOM 1541 CG ARG A 101 17.895 -9.733 -4.408 1.00 0.00 C ATOM 1542 CD ARG A 101 18.132 -8.944 -3.132 1.00 0.00 C ATOM 1543 NE ARG A 101 19.311 -8.086 -3.233 1.00 0.00 N ATOM 1544 CZ ARG A 101 20.542 -8.485 -2.930 1.00 0.00 C ATOM 1545 NH1 ARG A 101 20.758 -9.729 -2.520 1.00 0.00 N ATOM 1546 NH2 ARG A 101 21.559 -7.642 -3.040 1.00 0.00 N ATOM 0 H ARG A 101 14.117 -10.787 -4.906 1.00 0.00 H new ATOM 0 HA ARG A 101 15.414 -8.585 -3.664 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.277 -10.869 -3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.385 -10.926 -5.341 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.598 -10.564 -4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.090 -9.097 -5.272 1.00 0.00 H new ATOM 0 HD2 ARG A 101 17.256 -8.333 -2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.255 -9.633 -2.297 1.00 0.00 H new ATOM 0 HE ARG A 101 19.182 -7.127 -3.554 1.00 0.00 H new ATOM 0 HH11 ARG A 101 19.978 -10.381 -2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 101 21.704 -10.033 -2.288 1.00 0.00 H new ATOM 0 HH21 ARG A 101 21.397 -6.686 -3.357 1.00 0.00 H new ATOM 0 HH22 ARG A 101 22.503 -7.949 -2.807 1.00 0.00 H new ATOM 1560 N LYS A 102 15.657 -8.834 -6.959 1.00 0.00 N ATOM 1561 CA LYS A 102 15.902 -8.089 -8.188 1.00 0.00 C ATOM 1562 C LYS A 102 15.102 -6.794 -8.172 1.00 0.00 C ATOM 1563 O LYS A 102 15.486 -5.794 -8.777 1.00 0.00 O ATOM 1564 CB LYS A 102 15.493 -8.941 -9.393 1.00 0.00 C ATOM 1565 CG LYS A 102 15.487 -8.190 -10.714 1.00 0.00 C ATOM 1566 CD LYS A 102 16.864 -8.166 -11.350 1.00 0.00 C ATOM 1567 CE LYS A 102 16.790 -7.729 -12.802 1.00 0.00 C ATOM 1568 NZ LYS A 102 18.121 -7.773 -13.467 1.00 0.00 N ATOM 0 H LYS A 102 15.433 -9.818 -7.106 1.00 0.00 H new ATOM 0 HA LYS A 102 16.963 -7.850 -8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.174 -9.788 -9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.498 -9.348 -9.215 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.779 -8.659 -11.397 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.143 -7.169 -10.551 1.00 0.00 H new ATOM 0 HD2 LYS A 102 17.512 -7.487 -10.796 1.00 0.00 H new ATOM 0 HD3 LYS A 102 17.313 -9.157 -11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.095 -8.374 -13.340 1.00 0.00 H new ATOM 0 HE3 LYS A 102 16.391 -6.716 -12.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.025 -7.467 -14.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 18.778 -7.138 -12.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 18.491 -8.745 -13.439 1.00 0.00 H new ATOM 1582 N VAL A 103 13.986 -6.839 -7.460 1.00 0.00 N ATOM 1583 CA VAL A 103 13.098 -5.700 -7.331 1.00 0.00 C ATOM 1584 C VAL A 103 13.638 -4.686 -6.328 1.00 0.00 C ATOM 1585 O VAL A 103 13.633 -3.489 -6.586 1.00 0.00 O ATOM 1586 CB VAL A 103 11.698 -6.166 -6.888 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.865 -4.998 -6.374 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.988 -6.869 -8.033 1.00 0.00 C ATOM 0 H VAL A 103 13.673 -7.669 -6.956 1.00 0.00 H new ATOM 0 HA VAL A 103 13.032 -5.218 -8.306 1.00 0.00 H new ATOM 0 HB VAL A 103 11.821 -6.873 -6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.883 -5.358 -6.069 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.366 -4.542 -5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.750 -4.257 -7.165 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.000 -7.192 -7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.884 -6.182 -8.873 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.569 -7.737 -8.343 1.00 0.00 H new ATOM 1598 N ALA A 104 14.113 -5.178 -5.188 1.00 0.00 N ATOM 1599 CA ALA A 104 14.638 -4.315 -4.135 1.00 0.00 C ATOM 1600 C ALA A 104 15.740 -3.385 -4.631 1.00 0.00 C ATOM 1601 O ALA A 104 15.632 -2.163 -4.526 1.00 0.00 O ATOM 1602 CB ALA A 104 15.156 -5.162 -2.985 1.00 0.00 C ATOM 0 H ALA A 104 14.145 -6.174 -4.969 1.00 0.00 H new ATOM 0 HA ALA A 104 13.816 -3.685 -3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.547 -4.512 -2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.343 -5.766 -2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.951 -5.816 -3.344 1.00 0.00 H new ATOM 1608 N VAL A 105 16.789 -3.978 -5.170 1.00 0.00 N ATOM 1609 CA VAL A 105 17.943 -3.227 -5.657 1.00 0.00 C ATOM 1610 C VAL A 105 17.574 -2.260 -6.780 1.00 0.00 C ATOM 1611 O VAL A 105 17.789 -1.054 -6.669 1.00 0.00 O ATOM 1612 CB VAL A 105 19.044 -4.177 -6.166 1.00 0.00 C ATOM 1613 CG1 VAL A 105 20.285 -3.396 -6.573 1.00 0.00 C ATOM 1614 CG2 VAL A 105 19.383 -5.218 -5.110 1.00 0.00 C ATOM 0 H VAL A 105 16.870 -4.988 -5.285 1.00 0.00 H new ATOM 0 HA VAL A 105 18.311 -2.650 -4.808 1.00 0.00 H new ATOM 0 HB VAL A 105 18.667 -4.696 -7.048 1.00 0.00 H new ATOM 0 HG11 VAL A 105 21.049 -4.087 -6.929 1.00 0.00 H new ATOM 0 HG12 VAL A 105 20.030 -2.696 -7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 105 20.666 -2.845 -5.713 1.00 0.00 H new ATOM 0 HG21 VAL A 105 20.162 -5.880 -5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.737 -4.719 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 105 18.493 -5.802 -4.876 1.00 0.00 H new ATOM 1624 N ASN A 106 17.025 -2.802 -7.858 1.00 0.00 N ATOM 1625 CA ASN A 106 16.642 -2.003 -9.019 1.00 0.00 C ATOM 1626 C ASN A 106 15.670 -0.876 -8.664 1.00 0.00 C ATOM 1627 O ASN A 106 15.818 0.247 -9.143 1.00 0.00 O ATOM 1628 CB ASN A 106 16.015 -2.908 -10.084 1.00 0.00 C ATOM 1629 CG ASN A 106 15.328 -2.126 -11.187 1.00 0.00 C ATOM 1630 OD1 ASN A 106 15.756 -1.029 -11.548 1.00 0.00 O ATOM 1631 ND2 ASN A 106 14.253 -2.687 -11.727 1.00 0.00 N ATOM 0 H ASN A 106 16.833 -3.799 -7.955 1.00 0.00 H new ATOM 0 HA ASN A 106 17.549 -1.538 -9.404 1.00 0.00 H new ATOM 0 HB2 ASN A 106 16.789 -3.539 -10.520 1.00 0.00 H new ATOM 0 HB3 ASN A 106 15.292 -3.572 -9.611 1.00 0.00 H new ATOM 0 HD21 ASN A 106 13.747 -2.207 -12.472 1.00 0.00 H new ATOM 0 HD22 ASN A 106 13.933 -3.598 -11.397 1.00 0.00 H new ATOM 1638 N TYR A 107 14.684 -1.174 -7.827 1.00 0.00 N ATOM 1639 CA TYR A 107 13.681 -0.202 -7.451 1.00 0.00 C ATOM 1640 C TYR A 107 14.298 0.990 -6.725 1.00 0.00 C ATOM 1641 O TYR A 107 13.773 2.103 -6.780 1.00 0.00 O ATOM 1642 CB TYR A 107 12.637 -0.886 -6.586 1.00 0.00 C ATOM 1643 CG TYR A 107 11.660 0.059 -5.959 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.801 0.829 -6.725 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.614 0.178 -4.590 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.913 1.698 -6.130 1.00 0.00 C ATOM 1647 CE2 TYR A 107 10.731 1.043 -3.979 1.00 0.00 C ATOM 1648 CZ TYR A 107 9.880 1.804 -4.756 1.00 0.00 C ATOM 1649 OH TYR A 107 8.995 2.670 -4.160 1.00 0.00 O ATOM 0 H TYR A 107 14.563 -2.090 -7.396 1.00 0.00 H new ATOM 0 HA TYR A 107 13.210 0.190 -8.353 1.00 0.00 H new ATOM 0 HB2 TYR A 107 12.091 -1.608 -7.194 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.141 -1.448 -5.800 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.828 0.747 -7.802 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.281 -0.416 -3.983 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.246 2.293 -6.737 1.00 0.00 H new ATOM 0 HE2 TYR A 107 10.705 1.125 -2.902 1.00 0.00 H new ATOM 0 HH TYR A 107 8.127 2.228 -4.051 1.00 0.00 H new ATOM 1659 N LEU A 108 15.416 0.746 -6.047 1.00 0.00 N ATOM 1660 CA LEU A 108 16.107 1.793 -5.301 1.00 0.00 C ATOM 1661 C LEU A 108 16.503 2.960 -6.204 1.00 0.00 C ATOM 1662 O LEU A 108 16.897 4.020 -5.718 1.00 0.00 O ATOM 1663 CB LEU A 108 17.348 1.221 -4.616 1.00 0.00 C ATOM 1664 CG LEU A 108 17.080 0.401 -3.351 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.356 -0.277 -2.876 1.00 0.00 C ATOM 1666 CD2 LEU A 108 16.507 1.284 -2.252 1.00 0.00 C ATOM 0 H LEU A 108 15.863 -0.169 -5.999 1.00 0.00 H new ATOM 0 HA LEU A 108 15.417 2.171 -4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.879 0.592 -5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 108 18.014 2.045 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 108 16.347 -0.369 -3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.147 -0.855 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.727 -0.941 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.109 0.479 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.323 0.683 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.217 2.077 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.570 1.726 -2.591 1.00 0.00 H new ATOM 1678 N GLU A 109 16.399 2.762 -7.515 1.00 0.00 N ATOM 1679 CA GLU A 109 16.749 3.807 -8.473 1.00 0.00 C ATOM 1680 C GLU A 109 15.617 4.821 -8.617 1.00 0.00 C ATOM 1681 O GLU A 109 15.686 5.728 -9.447 1.00 0.00 O ATOM 1682 CB GLU A 109 17.076 3.194 -9.837 1.00 0.00 C ATOM 1683 CG GLU A 109 18.267 2.251 -9.812 1.00 0.00 C ATOM 1684 CD GLU A 109 18.607 1.706 -11.185 1.00 0.00 C ATOM 1685 OE1 GLU A 109 19.363 2.377 -11.918 1.00 0.00 O ATOM 1686 OE2 GLU A 109 18.118 0.609 -11.526 1.00 0.00 O ATOM 0 H GLU A 109 16.077 1.891 -7.937 1.00 0.00 H new ATOM 0 HA GLU A 109 17.630 4.326 -8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.203 2.653 -10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.273 3.996 -10.548 1.00 0.00 H new ATOM 0 HG2 GLU A 109 19.133 2.776 -9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.055 1.421 -9.138 1.00 0.00 H new ATOM 1693 N THR A 110 14.576 4.663 -7.805 1.00 0.00 N ATOM 1694 CA THR A 110 13.431 5.566 -7.841 1.00 0.00 C ATOM 1695 C THR A 110 12.917 5.862 -6.435 1.00 0.00 C ATOM 1696 O THR A 110 13.053 6.982 -5.942 1.00 0.00 O ATOM 1697 CB THR A 110 12.280 4.987 -8.687 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.947 3.669 -8.232 1.00 0.00 O ATOM 1699 CG2 THR A 110 12.661 4.938 -10.159 1.00 0.00 C ATOM 0 H THR A 110 14.502 3.917 -7.113 1.00 0.00 H new ATOM 0 HA THR A 110 13.776 6.492 -8.300 1.00 0.00 H new ATOM 0 HB THR A 110 11.414 5.639 -8.572 1.00 0.00 H new ATOM 0 HG1 THR A 110 12.750 3.233 -7.878 1.00 0.00 H new ATOM 0 HG21 THR A 110 11.833 4.526 -10.736 1.00 0.00 H new ATOM 0 HG22 THR A 110 12.882 5.945 -10.511 1.00 0.00 H new ATOM 0 HG23 THR A 110 13.541 4.308 -10.286 1.00 0.00 H new ATOM 1707 N HIS A 111 12.317 4.850 -5.806 1.00 0.00 N ATOM 1708 CA HIS A 111 11.772 4.971 -4.452 1.00 0.00 C ATOM 1709 C HIS A 111 11.001 6.280 -4.271 1.00 0.00 C ATOM 1710 O HIS A 111 9.891 6.389 -4.832 1.00 0.00 O ATOM 1711 CB HIS A 111 12.875 4.821 -3.388 1.00 0.00 C ATOM 1712 CG HIS A 111 14.022 5.777 -3.522 1.00 0.00 C ATOM 1713 ND1 HIS A 111 15.011 5.640 -4.473 1.00 0.00 N ATOM 1714 CD2 HIS A 111 14.339 6.886 -2.811 1.00 0.00 C ATOM 1715 CE1 HIS A 111 15.886 6.622 -4.343 1.00 0.00 C ATOM 1716 NE2 HIS A 111 15.500 7.391 -3.342 1.00 0.00 N ATOM 1717 OXT HIS A 111 11.506 7.180 -3.569 1.00 0.00 O ATOM 0 H HIS A 111 12.195 3.925 -6.219 1.00 0.00 H new ATOM 0 HA HIS A 111 11.065 4.153 -4.313 1.00 0.00 H new ATOM 0 HB2 HIS A 111 12.428 4.950 -2.403 1.00 0.00 H new ATOM 0 HB3 HIS A 111 13.263 3.803 -3.431 1.00 0.00 H new ATOM 0 HD1 HIS A 111 15.060 4.896 -5.169 1.00 0.00 H new ATOM 0 HD2 HIS A 111 13.782 7.296 -1.981 1.00 0.00 H new ATOM 0 HE1 HIS A 111 16.766 6.770 -4.951 1.00 0.00 H new