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 Single : A 30 SER OG : rot 68:sc= 0.461 USER MOD Single : A 32 SER OG : rot -43:sc= 1.08 USER MOD Single : A 33 ASN : amide:sc= -2.75! C(o=-2.7!,f=-2.1!) USER MOD Single : A 48 ASN : amide:sc= -2.89! K(o=-2.9!,f=-0.7) USER MOD Single : A 50 GLN : amide:sc= -0.547 K(o=-0.55,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 168:sc= -1.38 (180deg=-1.84) USER MOD Single : A 66 SER OG : rot -37:sc= 0.781 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 65:sc= 1.24 USER MOD Single : A 79 GLN : amide:sc= -4.36! K(o=-4.4!,f=-1.2) USER MOD Single : A 89 MET CE :methyl -142:sc= -1.69 (180deg=-3.85!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 67:sc= 0.319 USER MOD Single : A 102 LYS NZ :NH3+ 170:sc= -0.0078 (180deg=-0.112) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 107 TYR OH : rot -163:sc= -1.6 USER MOD Single : A 110 THR OG1 : rot 81:sc= 0.445 USER MOD Single : A 111 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 347 N ALA A 23 -11.989 -0.440 4.062 1.00 0.00 N ATOM 348 CA ALA A 23 -11.572 -1.743 3.565 1.00 0.00 C ATOM 349 C ALA A 23 -10.151 -2.051 4.011 1.00 0.00 C ATOM 350 O ALA A 23 -9.616 -3.118 3.724 1.00 0.00 O ATOM 351 CB ALA A 23 -11.668 -1.792 2.048 1.00 0.00 C ATOM 0 HA ALA A 23 -12.240 -2.498 3.980 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.352 -2.774 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.699 -1.611 1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.022 -1.027 1.618 1.00 0.00 H new ATOM 357 N PHE A 24 -9.552 -1.101 4.722 1.00 0.00 N ATOM 358 CA PHE A 24 -8.184 -1.232 5.210 1.00 0.00 C ATOM 359 C PHE A 24 -7.997 -2.464 6.098 1.00 0.00 C ATOM 360 O PHE A 24 -7.189 -3.338 5.787 1.00 0.00 O ATOM 361 CB PHE A 24 -7.791 0.028 5.978 1.00 0.00 C ATOM 362 CG PHE A 24 -6.312 0.266 6.026 1.00 0.00 C ATOM 363 CD1 PHE A 24 -5.561 0.283 4.862 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.672 0.482 7.234 1.00 0.00 C ATOM 365 CE1 PHE A 24 -4.203 0.509 4.902 1.00 0.00 C ATOM 366 CE2 PHE A 24 -4.312 0.708 7.280 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.576 0.721 6.112 1.00 0.00 C ATOM 0 H PHE A 24 -10.000 -0.221 4.976 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.537 -1.359 4.342 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.274 0.890 5.517 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -8.172 -0.044 6.997 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.046 0.117 3.912 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.243 0.474 8.150 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.630 0.520 3.987 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.823 0.875 8.229 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.511 0.897 6.146 1.00 0.00 H new ATOM 377 N GLU A 25 -8.734 -2.529 7.206 1.00 0.00 N ATOM 378 CA GLU A 25 -8.606 -3.661 8.128 1.00 0.00 C ATOM 379 C GLU A 25 -9.020 -4.978 7.473 1.00 0.00 C ATOM 380 O GLU A 25 -8.260 -5.935 7.522 1.00 0.00 O ATOM 381 CB GLU A 25 -9.430 -3.470 9.394 1.00 0.00 C ATOM 382 CG GLU A 25 -10.018 -2.079 9.566 1.00 0.00 C ATOM 383 CD GLU A 25 -8.962 -1.033 9.866 1.00 0.00 C ATOM 384 OE1 GLU A 25 -8.310 -1.135 10.926 1.00 0.00 O ATOM 385 OE2 GLU A 25 -8.788 -0.111 9.042 1.00 0.00 O ATOM 0 H GLU A 25 -9.416 -1.824 7.486 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.550 -3.703 8.394 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.243 -4.196 9.395 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.802 -3.693 10.257 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.553 -1.800 8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.749 -2.095 10.375 1.00 0.00 H new ATOM 392 N PRO A 26 -10.236 -5.070 6.879 1.00 0.00 N ATOM 393 CA PRO A 26 -10.686 -6.305 6.227 1.00 0.00 C ATOM 394 C PRO A 26 -9.640 -6.798 5.240 1.00 0.00 C ATOM 395 O PRO A 26 -9.558 -7.986 4.930 1.00 0.00 O ATOM 396 CB PRO A 26 -11.978 -5.905 5.503 1.00 0.00 C ATOM 397 CG PRO A 26 -12.029 -4.416 5.563 1.00 0.00 C ATOM 398 CD PRO A 26 -11.251 -4.013 6.782 1.00 0.00 C ATOM 0 HA PRO A 26 -10.845 -7.119 6.935 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.973 -6.255 4.471 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.850 -6.347 5.985 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.597 -3.976 4.664 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.059 -4.065 5.626 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.800 -3.027 6.667 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.881 -3.974 7.670 1.00 0.00 H new ATOM 406 N LEU A 27 -8.844 -5.855 4.757 1.00 0.00 N ATOM 407 CA LEU A 27 -7.766 -6.144 3.839 1.00 0.00 C ATOM 408 C LEU A 27 -6.623 -6.767 4.631 1.00 0.00 C ATOM 409 O LEU A 27 -5.972 -7.713 4.186 1.00 0.00 O ATOM 410 CB LEU A 27 -7.348 -4.841 3.161 1.00 0.00 C ATOM 411 CG LEU A 27 -5.854 -4.638 2.943 1.00 0.00 C ATOM 412 CD1 LEU A 27 -5.326 -5.605 1.895 1.00 0.00 C ATOM 413 CD2 LEU A 27 -5.580 -3.198 2.537 1.00 0.00 C ATOM 0 H LEU A 27 -8.933 -4.867 4.995 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.069 -6.847 3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.845 -4.786 2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.722 -4.010 3.759 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.333 -4.842 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.257 -5.442 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.497 -6.629 2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.845 -5.438 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.510 -3.061 2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.111 -2.973 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.922 -2.527 3.324 1.00 0.00 H new ATOM 425 N LEU A 28 -6.399 -6.210 5.818 1.00 0.00 N ATOM 426 CA LEU A 28 -5.389 -6.707 6.740 1.00 0.00 C ATOM 427 C LEU A 28 -5.881 -8.008 7.367 1.00 0.00 C ATOM 428 O LEU A 28 -5.095 -8.816 7.866 1.00 0.00 O ATOM 429 CB LEU A 28 -5.130 -5.661 7.835 1.00 0.00 C ATOM 430 CG LEU A 28 -4.525 -6.198 9.136 1.00 0.00 C ATOM 431 CD1 LEU A 28 -3.031 -6.426 8.978 1.00 0.00 C ATOM 432 CD2 LEU A 28 -4.805 -5.249 10.292 1.00 0.00 C ATOM 0 H LEU A 28 -6.914 -5.401 6.165 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.459 -6.893 6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.463 -4.899 7.433 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.073 -5.167 8.071 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.995 -7.156 9.361 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.620 -6.807 9.913 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.856 -7.150 8.182 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.544 -5.484 8.725 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.367 -5.650 11.206 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.367 -4.274 10.077 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.882 -5.142 10.423 1.00 0.00 H new ATOM 444 N GLU A 29 -7.197 -8.201 7.318 1.00 0.00 N ATOM 445 CA GLU A 29 -7.835 -9.379 7.885 1.00 0.00 C ATOM 446 C GLU A 29 -7.656 -10.581 6.965 1.00 0.00 C ATOM 447 O GLU A 29 -7.402 -11.697 7.422 1.00 0.00 O ATOM 448 CB GLU A 29 -9.326 -9.107 8.112 1.00 0.00 C ATOM 449 CG GLU A 29 -10.075 -10.263 8.760 1.00 0.00 C ATOM 450 CD GLU A 29 -10.474 -11.339 7.766 1.00 0.00 C ATOM 451 OE1 GLU A 29 -11.338 -11.061 6.908 1.00 0.00 O ATOM 452 OE2 GLU A 29 -9.922 -12.455 7.846 1.00 0.00 O ATOM 0 H GLU A 29 -7.847 -7.545 6.885 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.363 -9.604 8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.432 -8.222 8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.793 -8.877 7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.450 -10.706 9.535 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.969 -9.880 9.252 1.00 0.00 H new ATOM 459 N SER A 30 -7.792 -10.341 5.664 1.00 0.00 N ATOM 460 CA SER A 30 -7.655 -11.395 4.665 1.00 0.00 C ATOM 461 C SER A 30 -6.257 -12.002 4.690 1.00 0.00 C ATOM 462 O SER A 30 -6.044 -13.110 4.196 1.00 0.00 O ATOM 463 CB SER A 30 -7.961 -10.844 3.272 1.00 0.00 C ATOM 464 OG SER A 30 -9.307 -10.414 3.178 1.00 0.00 O ATOM 0 H SER A 30 -7.998 -9.420 5.276 1.00 0.00 H new ATOM 0 HA SER A 30 -8.370 -12.181 4.906 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.294 -10.011 3.053 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.768 -11.612 2.523 1.00 0.00 H new ATOM 0 HG SER A 30 -9.441 -9.630 3.750 1.00 0.00 H new ATOM 470 N LEU A 31 -5.306 -11.272 5.264 1.00 0.00 N ATOM 471 CA LEU A 31 -3.928 -11.744 5.351 1.00 0.00 C ATOM 472 C LEU A 31 -3.829 -12.955 6.275 1.00 0.00 C ATOM 473 O LEU A 31 -2.789 -13.608 6.350 1.00 0.00 O ATOM 474 CB LEU A 31 -3.013 -10.627 5.856 1.00 0.00 C ATOM 475 CG LEU A 31 -3.032 -9.341 5.025 1.00 0.00 C ATOM 476 CD1 LEU A 31 -2.153 -8.280 5.668 1.00 0.00 C ATOM 477 CD2 LEU A 31 -2.577 -9.617 3.599 1.00 0.00 C ATOM 0 H LEU A 31 -5.464 -10.352 5.676 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.607 -12.041 4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.296 -10.383 6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.991 -11.004 5.889 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.056 -8.969 4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.178 -7.373 5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.522 -8.060 6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.128 -8.646 5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.598 -8.691 3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.562 -10.014 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.245 -10.344 3.138 1.00 0.00 H new ATOM 489 N SER A 32 -4.922 -13.246 6.974 1.00 0.00 N ATOM 490 CA SER A 32 -4.967 -14.374 7.897 1.00 0.00 C ATOM 491 C SER A 32 -5.862 -15.486 7.354 1.00 0.00 C ATOM 492 O SER A 32 -6.307 -16.358 8.100 1.00 0.00 O ATOM 493 CB SER A 32 -5.473 -13.914 9.266 1.00 0.00 C ATOM 494 OG SER A 32 -5.501 -14.987 10.191 1.00 0.00 O ATOM 0 H SER A 32 -5.791 -12.714 6.918 1.00 0.00 H new ATOM 0 HA SER A 32 -3.957 -14.769 8.004 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.830 -13.120 9.646 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.473 -13.493 9.164 1.00 0.00 H new ATOM 0 HG SER A 32 -5.872 -15.784 9.757 1.00 0.00 H new ATOM 500 N ASN A 33 -6.118 -15.452 6.049 1.00 0.00 N ATOM 501 CA ASN A 33 -6.960 -16.459 5.411 1.00 0.00 C ATOM 502 C ASN A 33 -6.144 -17.689 5.029 1.00 0.00 C ATOM 503 O ASN A 33 -5.047 -17.573 4.483 1.00 0.00 O ATOM 504 CB ASN A 33 -7.639 -15.880 4.167 1.00 0.00 C ATOM 505 CG ASN A 33 -8.764 -14.920 4.506 1.00 0.00 C ATOM 506 OD1 ASN A 33 -9.036 -13.981 3.760 1.00 0.00 O ATOM 507 ND2 ASN A 33 -9.428 -15.155 5.633 1.00 0.00 N ATOM 0 H ASN A 33 -5.756 -14.740 5.415 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.725 -16.758 6.127 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.896 -15.362 3.560 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -8.033 -16.696 3.561 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.197 -14.544 5.909 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.168 -15.946 6.222 1.00 0.00 H new ATOM 514 N GLU A 34 -6.690 -18.866 5.321 1.00 0.00 N ATOM 515 CA GLU A 34 -6.024 -20.120 5.008 1.00 0.00 C ATOM 516 C GLU A 34 -5.749 -20.228 3.512 1.00 0.00 C ATOM 517 O GLU A 34 -4.827 -20.925 3.088 1.00 0.00 O ATOM 518 CB GLU A 34 -6.888 -21.293 5.470 1.00 0.00 C ATOM 519 CG GLU A 34 -6.198 -22.635 5.346 1.00 0.00 C ATOM 520 CD GLU A 34 -7.069 -23.785 5.813 1.00 0.00 C ATOM 521 OE1 GLU A 34 -7.896 -24.268 5.012 1.00 0.00 O ATOM 522 OE2 GLU A 34 -6.925 -24.201 6.981 1.00 0.00 O ATOM 0 H GLU A 34 -7.596 -18.974 5.776 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.069 -20.147 5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.175 -21.135 6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.807 -21.310 4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.914 -22.798 4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.278 -22.621 5.930 1.00 0.00 H new ATOM 529 N ASP A 35 -6.555 -19.530 2.719 1.00 0.00 N ATOM 530 CA ASP A 35 -6.402 -19.538 1.269 1.00 0.00 C ATOM 531 C ASP A 35 -5.346 -18.528 0.832 1.00 0.00 C ATOM 532 O ASP A 35 -5.101 -17.537 1.521 1.00 0.00 O ATOM 533 CB ASP A 35 -7.737 -19.225 0.592 1.00 0.00 C ATOM 534 CG ASP A 35 -8.802 -20.257 0.909 1.00 0.00 C ATOM 535 OD1 ASP A 35 -9.428 -20.152 1.986 1.00 0.00 O ATOM 536 OD2 ASP A 35 -9.011 -21.168 0.083 1.00 0.00 O ATOM 0 H ASP A 35 -7.323 -18.950 3.057 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.076 -20.533 0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.081 -18.241 0.912 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.592 -19.177 -0.487 1.00 0.00 H new ATOM 541 N TRP A 36 -4.725 -18.783 -0.315 1.00 0.00 N ATOM 542 CA TRP A 36 -3.693 -17.896 -0.838 1.00 0.00 C ATOM 543 C TRP A 36 -4.218 -17.064 -2.003 1.00 0.00 C ATOM 544 O TRP A 36 -3.717 -15.971 -2.272 1.00 0.00 O ATOM 545 CB TRP A 36 -2.474 -18.705 -1.283 1.00 0.00 C ATOM 546 CG TRP A 36 -2.778 -19.699 -2.361 1.00 0.00 C ATOM 547 CD1 TRP A 36 -3.271 -20.963 -2.198 1.00 0.00 C ATOM 548 CD2 TRP A 36 -2.605 -19.515 -3.771 1.00 0.00 C ATOM 549 NE1 TRP A 36 -3.416 -21.573 -3.420 1.00 0.00 N ATOM 550 CE2 TRP A 36 -3.015 -20.706 -4.400 1.00 0.00 C ATOM 551 CE3 TRP A 36 -2.147 -18.458 -4.564 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -2.978 -20.870 -5.781 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -2.110 -18.623 -5.937 1.00 0.00 C ATOM 554 CH2 TRP A 36 -2.525 -19.821 -6.532 1.00 0.00 C ATOM 0 H TRP A 36 -4.918 -19.596 -0.900 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.400 -17.216 -0.038 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.703 -18.021 -1.638 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.062 -19.230 -0.421 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.511 -21.416 -1.248 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.766 -22.519 -3.572 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.828 -17.530 -4.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.296 -21.793 -6.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.755 -17.815 -6.560 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.486 -19.918 -7.607 1.00 0.00 H new ATOM 565 N ARG A 37 -5.228 -17.584 -2.692 1.00 0.00 N ATOM 566 CA ARG A 37 -5.818 -16.884 -3.829 1.00 0.00 C ATOM 567 C ARG A 37 -6.446 -15.566 -3.389 1.00 0.00 C ATOM 568 O ARG A 37 -6.391 -14.569 -4.111 1.00 0.00 O ATOM 569 CB ARG A 37 -6.866 -17.765 -4.512 1.00 0.00 C ATOM 570 CG ARG A 37 -7.996 -18.197 -3.592 1.00 0.00 C ATOM 571 CD ARG A 37 -8.957 -19.142 -4.297 1.00 0.00 C ATOM 572 NE ARG A 37 -9.450 -18.585 -5.554 1.00 0.00 N ATOM 573 CZ ARG A 37 -10.354 -19.185 -6.323 1.00 0.00 C ATOM 574 NH1 ARG A 37 -10.869 -20.352 -5.961 1.00 0.00 N ATOM 575 NH2 ARG A 37 -10.746 -18.617 -7.455 1.00 0.00 N ATOM 0 H ARG A 37 -5.655 -18.487 -2.484 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.023 -16.665 -4.542 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.286 -17.223 -5.359 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.376 -18.653 -4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.582 -18.688 -2.711 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.538 -17.318 -3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.455 -20.090 -4.493 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.800 -19.357 -3.641 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.080 -17.685 -5.859 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.572 -20.792 -5.090 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.562 -20.809 -6.553 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.354 -17.719 -7.737 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.439 -19.078 -8.044 1.00 0.00 H new ATOM 589 N ILE A 38 -7.042 -15.566 -2.200 1.00 0.00 N ATOM 590 CA ILE A 38 -7.676 -14.370 -1.661 1.00 0.00 C ATOM 591 C ILE A 38 -6.640 -13.445 -1.031 1.00 0.00 C ATOM 592 O ILE A 38 -6.744 -12.221 -1.126 1.00 0.00 O ATOM 593 CB ILE A 38 -8.740 -14.721 -0.604 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.739 -15.734 -1.167 1.00 0.00 C ATOM 595 CG2 ILE A 38 -9.460 -13.462 -0.141 1.00 0.00 C ATOM 596 CD1 ILE A 38 -10.710 -16.267 -0.135 1.00 0.00 C ATOM 0 H ILE A 38 -7.098 -16.383 -1.592 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.161 -13.864 -2.496 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.242 -15.171 0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.301 -15.266 -1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.190 -16.569 -1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.209 -13.725 0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.739 -12.771 0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.948 -12.988 -0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.387 -16.979 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.157 -16.765 0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.286 -15.441 0.283 1.00 0.00 H new ATOM 608 N ARG A 39 -5.641 -14.040 -0.387 1.00 0.00 N ATOM 609 CA ARG A 39 -4.583 -13.277 0.261 1.00 0.00 C ATOM 610 C ARG A 39 -3.778 -12.485 -0.765 1.00 0.00 C ATOM 611 O ARG A 39 -3.275 -11.400 -0.471 1.00 0.00 O ATOM 612 CB ARG A 39 -3.657 -14.210 1.045 1.00 0.00 C ATOM 613 CG ARG A 39 -2.620 -13.478 1.879 1.00 0.00 C ATOM 614 CD ARG A 39 -1.593 -14.435 2.463 1.00 0.00 C ATOM 615 NE ARG A 39 -2.199 -15.415 3.360 1.00 0.00 N ATOM 616 CZ ARG A 39 -1.496 -16.229 4.142 1.00 0.00 C ATOM 617 NH1 ARG A 39 -0.171 -16.173 4.141 1.00 0.00 N ATOM 618 NH2 ARG A 39 -2.118 -17.097 4.926 1.00 0.00 N ATOM 0 H ARG A 39 -5.543 -15.052 -0.301 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.048 -12.574 0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.259 -14.840 1.700 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.147 -14.873 0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.115 -12.734 1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.116 -12.939 2.686 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.081 -14.954 1.653 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.837 -13.867 3.005 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.217 -15.479 3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.311 -15.505 3.540 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.366 -16.798 4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.137 -17.141 4.930 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.578 -17.721 5.525 1.00 0.00 H new ATOM 632 N GLY A 40 -3.661 -13.038 -1.970 1.00 0.00 N ATOM 633 CA GLY A 40 -2.919 -12.373 -3.025 1.00 0.00 C ATOM 634 C GLY A 40 -3.445 -10.980 -3.310 1.00 0.00 C ATOM 635 O GLY A 40 -2.701 -10.004 -3.237 1.00 0.00 O ATOM 0 H GLY A 40 -4.068 -13.936 -2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.868 -12.311 -2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.970 -12.971 -3.935 1.00 0.00 H new ATOM 639 N ALA A 41 -4.731 -10.894 -3.642 1.00 0.00 N ATOM 640 CA ALA A 41 -5.367 -9.616 -3.933 1.00 0.00 C ATOM 641 C ALA A 41 -5.125 -8.617 -2.807 1.00 0.00 C ATOM 642 O ALA A 41 -4.910 -7.431 -3.055 1.00 0.00 O ATOM 643 CB ALA A 41 -6.859 -9.811 -4.159 1.00 0.00 C ATOM 0 H ALA A 41 -5.353 -11.699 -3.716 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.923 -9.213 -4.843 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.323 -8.849 -4.376 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.014 -10.486 -5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.310 -10.238 -3.263 1.00 0.00 H new ATOM 649 N ALA A 42 -5.164 -9.103 -1.569 1.00 0.00 N ATOM 650 CA ALA A 42 -4.939 -8.249 -0.408 1.00 0.00 C ATOM 651 C ALA A 42 -3.590 -7.550 -0.517 1.00 0.00 C ATOM 652 O ALA A 42 -3.495 -6.334 -0.369 1.00 0.00 O ATOM 653 CB ALA A 42 -5.012 -9.066 0.874 1.00 0.00 C ATOM 0 H ALA A 42 -5.349 -10.081 -1.345 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.721 -7.490 -0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.842 -8.414 1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.997 -9.525 0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.249 -9.844 0.853 1.00 0.00 H new ATOM 659 N ALA A 43 -2.552 -8.333 -0.781 1.00 0.00 N ATOM 660 CA ALA A 43 -1.202 -7.804 -0.928 1.00 0.00 C ATOM 661 C ALA A 43 -1.108 -6.896 -2.148 1.00 0.00 C ATOM 662 O ALA A 43 -0.388 -5.898 -2.145 1.00 0.00 O ATOM 663 CB ALA A 43 -0.215 -8.949 -1.059 1.00 0.00 C ATOM 0 H ALA A 43 -2.620 -9.344 -0.898 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.961 -7.216 -0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.793 -8.550 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.263 -9.574 -0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.466 -9.547 -1.935 1.00 0.00 H new ATOM 669 N TRP A 44 -1.848 -7.258 -3.190 1.00 0.00 N ATOM 670 CA TRP A 44 -1.857 -6.503 -4.436 1.00 0.00 C ATOM 671 C TRP A 44 -2.465 -5.111 -4.256 1.00 0.00 C ATOM 672 O TRP A 44 -2.067 -4.162 -4.931 1.00 0.00 O ATOM 673 CB TRP A 44 -2.627 -7.283 -5.506 1.00 0.00 C ATOM 674 CG TRP A 44 -1.741 -8.156 -6.341 1.00 0.00 C ATOM 675 CD1 TRP A 44 -0.917 -9.145 -5.893 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.587 -8.118 -7.764 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.251 -9.718 -6.947 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.647 -9.108 -8.107 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.150 -7.344 -8.784 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.257 -9.345 -9.422 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.764 -7.580 -10.090 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.825 -8.572 -10.399 1.00 0.00 C ATOM 0 H TRP A 44 -2.455 -8.078 -3.195 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.823 -6.367 -4.753 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.386 -7.899 -5.024 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.151 -6.581 -6.154 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.805 -9.435 -4.859 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.429 -10.475 -6.878 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.874 -6.576 -8.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.466 -10.110 -9.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.194 -6.989 -10.886 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.543 -8.731 -11.429 1.00 0.00 H new ATOM 693 N ILE A 45 -3.429 -4.994 -3.346 1.00 0.00 N ATOM 694 CA ILE A 45 -4.098 -3.719 -3.099 1.00 0.00 C ATOM 695 C ILE A 45 -3.547 -2.991 -1.868 1.00 0.00 C ATOM 696 O ILE A 45 -3.671 -1.771 -1.758 1.00 0.00 O ATOM 697 CB ILE A 45 -5.618 -3.920 -2.920 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.197 -4.719 -4.094 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.324 -2.578 -2.786 1.00 0.00 C ATOM 700 CD1 ILE A 45 -6.032 -4.041 -5.439 1.00 0.00 C ATOM 0 H ILE A 45 -3.764 -5.765 -2.768 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.903 -3.102 -3.976 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.784 -4.487 -2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.715 -5.696 -4.129 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.258 -4.894 -3.914 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.394 -2.741 -2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.934 -2.047 -1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.150 -1.984 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.466 -4.668 -6.218 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.539 -3.076 -5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.972 -3.891 -5.643 1.00 0.00 H new ATOM 712 N ILE A 46 -2.939 -3.737 -0.950 1.00 0.00 N ATOM 713 CA ILE A 46 -2.403 -3.153 0.280 1.00 0.00 C ATOM 714 C ILE A 46 -1.435 -2.000 -0.006 1.00 0.00 C ATOM 715 O ILE A 46 -1.427 -0.999 0.709 1.00 0.00 O ATOM 716 CB ILE A 46 -1.693 -4.228 1.157 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.094 -4.101 2.639 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.177 -4.154 1.015 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.272 -2.677 3.128 1.00 0.00 C ATOM 0 H ILE A 46 -2.804 -4.745 -1.032 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.256 -2.755 0.830 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.023 -5.201 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.026 -4.644 2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.334 -4.588 3.250 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.285 -4.918 1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.100 -4.321 -0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.170 -3.170 1.329 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.554 -2.686 4.181 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.336 -2.131 3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.054 -2.188 2.548 1.00 0.00 H new ATOM 731 N GLY A 47 -0.633 -2.140 -1.058 1.00 0.00 N ATOM 732 CA GLY A 47 0.339 -1.113 -1.397 1.00 0.00 C ATOM 733 C GLY A 47 -0.285 0.188 -1.870 1.00 0.00 C ATOM 734 O GLY A 47 0.364 1.233 -1.848 1.00 0.00 O ATOM 0 H GLY A 47 -0.638 -2.946 -1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.960 -0.911 -0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.999 -1.493 -2.177 1.00 0.00 H new ATOM 738 N ASN A 48 -1.538 0.131 -2.298 1.00 0.00 N ATOM 739 CA ASN A 48 -2.229 1.320 -2.788 1.00 0.00 C ATOM 740 C ASN A 48 -2.553 2.304 -1.661 1.00 0.00 C ATOM 741 O ASN A 48 -3.117 3.369 -1.911 1.00 0.00 O ATOM 742 CB ASN A 48 -3.515 0.924 -3.515 1.00 0.00 C ATOM 743 CG ASN A 48 -3.239 0.216 -4.827 1.00 0.00 C ATOM 744 OD1 ASN A 48 -3.130 0.849 -5.876 1.00 0.00 O ATOM 745 ND2 ASN A 48 -3.118 -1.105 -4.773 1.00 0.00 N ATOM 0 H ASN A 48 -2.097 -0.722 -2.317 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.555 1.821 -3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.108 0.274 -2.872 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.112 1.816 -3.705 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.927 -1.635 -5.623 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.216 -1.590 -3.881 1.00 0.00 H new ATOM 752 N PHE A 49 -2.195 1.956 -0.426 1.00 0.00 N ATOM 753 CA PHE A 49 -2.473 2.826 0.719 1.00 0.00 C ATOM 754 C PHE A 49 -1.235 3.604 1.165 1.00 0.00 C ATOM 755 O PHE A 49 -1.353 4.681 1.752 1.00 0.00 O ATOM 756 CB PHE A 49 -3.030 2.003 1.880 1.00 0.00 C ATOM 757 CG PHE A 49 -4.406 1.462 1.617 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.531 2.201 1.952 1.00 0.00 C ATOM 759 CD2 PHE A 49 -4.576 0.218 1.031 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.798 1.706 1.708 1.00 0.00 C ATOM 761 CE2 PHE A 49 -5.842 -0.280 0.785 1.00 0.00 C ATOM 762 CZ PHE A 49 -6.954 0.465 1.124 1.00 0.00 C ATOM 0 H PHE A 49 -1.716 1.086 -0.192 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.217 3.557 0.403 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.354 1.173 2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.056 2.623 2.776 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.416 3.173 2.408 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.710 -0.369 0.763 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.666 2.290 1.974 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.961 -1.251 0.328 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.944 0.078 0.933 1.00 0.00 H new ATOM 772 N GLN A 50 -0.053 3.054 0.894 1.00 0.00 N ATOM 773 CA GLN A 50 1.206 3.707 1.259 1.00 0.00 C ATOM 774 C GLN A 50 1.335 3.881 2.773 1.00 0.00 C ATOM 775 O GLN A 50 2.140 4.685 3.245 1.00 0.00 O ATOM 776 CB GLN A 50 1.315 5.072 0.574 1.00 0.00 C ATOM 777 CG GLN A 50 1.171 5.006 -0.937 1.00 0.00 C ATOM 778 CD GLN A 50 0.981 6.370 -1.571 1.00 0.00 C ATOM 779 OE1 GLN A 50 0.308 6.504 -2.593 1.00 0.00 O ATOM 780 NE2 GLN A 50 1.577 7.395 -0.970 1.00 0.00 N ATOM 0 H GLN A 50 0.061 2.157 0.422 1.00 0.00 H new ATOM 0 HA GLN A 50 2.017 3.062 0.921 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.547 5.733 0.975 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.279 5.517 0.820 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.057 4.534 -1.361 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.321 4.372 -1.189 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.126 7.241 -0.124 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.485 8.335 -1.355 1.00 0.00 H new ATOM 789 N ASP A 51 0.546 3.126 3.530 1.00 0.00 N ATOM 790 CA ASP A 51 0.586 3.207 4.988 1.00 0.00 C ATOM 791 C ASP A 51 1.539 2.162 5.560 1.00 0.00 C ATOM 792 O ASP A 51 1.981 1.260 4.848 1.00 0.00 O ATOM 793 CB ASP A 51 -0.816 3.013 5.570 1.00 0.00 C ATOM 794 CG ASP A 51 -0.877 3.313 7.056 1.00 0.00 C ATOM 795 OD1 ASP A 51 -1.053 4.497 7.416 1.00 0.00 O ATOM 796 OD2 ASP A 51 -0.749 2.365 7.859 1.00 0.00 O ATOM 0 H ASP A 51 -0.127 2.453 3.162 1.00 0.00 H new ATOM 0 HA ASP A 51 0.950 4.196 5.265 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.517 3.661 5.043 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.139 1.986 5.397 1.00 0.00 H new ATOM 801 N GLU A 52 1.859 2.289 6.846 1.00 0.00 N ATOM 802 CA GLU A 52 2.759 1.346 7.506 1.00 0.00 C ATOM 803 C GLU A 52 2.166 -0.060 7.499 1.00 0.00 C ATOM 804 O GLU A 52 2.894 -1.051 7.447 1.00 0.00 O ATOM 805 CB GLU A 52 3.047 1.793 8.941 1.00 0.00 C ATOM 806 CG GLU A 52 1.797 2.058 9.763 1.00 0.00 C ATOM 807 CD GLU A 52 2.114 2.466 11.189 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.559 3.615 11.392 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.920 1.635 12.102 1.00 0.00 O ATOM 0 H GLU A 52 1.510 3.033 7.450 1.00 0.00 H new ATOM 0 HA GLU A 52 3.698 1.327 6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.642 1.027 9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.652 2.699 8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.212 2.844 9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.177 1.162 9.774 1.00 0.00 H new ATOM 816 N ARG A 53 0.840 -0.136 7.555 1.00 0.00 N ATOM 817 CA ARG A 53 0.138 -1.415 7.535 1.00 0.00 C ATOM 818 C ARG A 53 0.273 -2.063 6.161 1.00 0.00 C ATOM 819 O ARG A 53 -0.093 -3.222 5.966 1.00 0.00 O ATOM 820 CB ARG A 53 -1.339 -1.219 7.894 1.00 0.00 C ATOM 821 CG ARG A 53 -2.129 -2.514 8.002 1.00 0.00 C ATOM 822 CD ARG A 53 -3.392 -2.323 8.825 1.00 0.00 C ATOM 823 NE ARG A 53 -3.090 -1.982 10.213 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.002 -1.577 11.091 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.274 -1.469 10.729 1.00 0.00 N ATOM 826 NH2 ARG A 53 -3.644 -1.283 12.333 1.00 0.00 N ATOM 0 H ARG A 53 0.227 0.677 7.615 1.00 0.00 H new ATOM 0 HA ARG A 53 0.586 -2.074 8.278 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.404 -0.686 8.843 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.804 -0.584 7.140 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.392 -2.866 7.005 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.508 -3.285 8.459 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.999 -1.534 8.381 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.986 -3.237 8.796 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.123 -2.059 10.527 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.554 -1.697 9.775 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.972 -1.158 11.405 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.668 -1.367 12.616 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.345 -0.972 13.006 1.00 0.00 H new ATOM 840 N ALA A 54 0.802 -1.296 5.212 1.00 0.00 N ATOM 841 CA ALA A 54 0.993 -1.771 3.850 1.00 0.00 C ATOM 842 C ALA A 54 2.439 -2.179 3.635 1.00 0.00 C ATOM 843 O ALA A 54 2.797 -2.738 2.599 1.00 0.00 O ATOM 844 CB ALA A 54 0.605 -0.688 2.855 1.00 0.00 C ATOM 0 H ALA A 54 1.108 -0.335 5.366 1.00 0.00 H new ATOM 0 HA ALA A 54 0.354 -2.640 3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.753 -1.057 1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.443 -0.423 2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.227 0.193 3.015 1.00 0.00 H new ATOM 850 N VAL A 55 3.263 -1.889 4.632 1.00 0.00 N ATOM 851 CA VAL A 55 4.678 -2.199 4.576 1.00 0.00 C ATOM 852 C VAL A 55 4.974 -3.577 5.160 1.00 0.00 C ATOM 853 O VAL A 55 5.812 -4.313 4.638 1.00 0.00 O ATOM 854 CB VAL A 55 5.495 -1.141 5.339 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.980 -1.348 5.113 1.00 0.00 C ATOM 856 CG2 VAL A 55 5.076 0.262 4.924 1.00 0.00 C ATOM 0 H VAL A 55 2.968 -1.435 5.496 1.00 0.00 H new ATOM 0 HA VAL A 55 4.966 -2.197 3.525 1.00 0.00 H new ATOM 0 HB VAL A 55 5.294 -1.255 6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.540 -0.590 5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.267 -2.338 5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.201 -1.265 4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.665 0.995 5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.244 0.391 3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.018 0.406 5.145 1.00 0.00 H new ATOM 866 N GLU A 56 4.286 -3.923 6.245 1.00 0.00 N ATOM 867 CA GLU A 56 4.496 -5.211 6.898 1.00 0.00 C ATOM 868 C GLU A 56 4.189 -6.383 5.961 1.00 0.00 C ATOM 869 O GLU A 56 5.006 -7.294 5.832 1.00 0.00 O ATOM 870 CB GLU A 56 3.664 -5.324 8.177 1.00 0.00 C ATOM 871 CG GLU A 56 3.833 -6.659 8.881 1.00 0.00 C ATOM 872 CD GLU A 56 3.437 -6.605 10.343 1.00 0.00 C ATOM 873 OE1 GLU A 56 4.290 -6.235 11.177 1.00 0.00 O ATOM 874 OE2 GLU A 56 2.272 -6.931 10.655 1.00 0.00 O ATOM 0 H GLU A 56 3.582 -3.333 6.688 1.00 0.00 H new ATOM 0 HA GLU A 56 5.552 -5.263 7.163 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.946 -4.522 8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.612 -5.179 7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.230 -7.412 8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.872 -6.977 8.802 1.00 0.00 H new ATOM 881 N PRO A 57 3.007 -6.394 5.304 1.00 0.00 N ATOM 882 CA PRO A 57 2.637 -7.473 4.385 1.00 0.00 C ATOM 883 C PRO A 57 3.755 -7.797 3.406 1.00 0.00 C ATOM 884 O PRO A 57 4.087 -8.961 3.188 1.00 0.00 O ATOM 885 CB PRO A 57 1.428 -6.905 3.645 1.00 0.00 C ATOM 886 CG PRO A 57 0.807 -5.962 4.613 1.00 0.00 C ATOM 887 CD PRO A 57 1.945 -5.368 5.399 1.00 0.00 C ATOM 0 HA PRO A 57 2.433 -8.407 4.908 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.727 -6.394 2.730 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.733 -7.693 3.357 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.243 -5.186 4.095 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.108 -6.480 5.269 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.269 -4.416 4.978 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.662 -5.179 6.434 1.00 0.00 H new ATOM 895 N LEU A 58 4.342 -6.757 2.831 1.00 0.00 N ATOM 896 CA LEU A 58 5.423 -6.921 1.866 1.00 0.00 C ATOM 897 C LEU A 58 6.597 -7.691 2.462 1.00 0.00 C ATOM 898 O LEU A 58 7.295 -8.413 1.753 1.00 0.00 O ATOM 899 CB LEU A 58 5.903 -5.555 1.369 1.00 0.00 C ATOM 900 CG LEU A 58 4.815 -4.486 1.229 1.00 0.00 C ATOM 901 CD1 LEU A 58 5.405 -3.194 0.689 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.690 -4.974 0.330 1.00 0.00 C ATOM 0 H LEU A 58 4.088 -5.787 3.016 1.00 0.00 H new ATOM 0 HA LEU A 58 5.029 -7.497 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.665 -5.185 2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.384 -5.689 0.400 1.00 0.00 H new ATOM 0 HG LEU A 58 4.400 -4.291 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.618 -2.446 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.172 -2.831 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.849 -3.378 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.929 -4.198 0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.087 -5.202 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.246 -5.873 0.758 1.00 0.00 H new ATOM 914 N ILE A 59 6.813 -7.542 3.765 1.00 0.00 N ATOM 915 CA ILE A 59 7.921 -8.218 4.432 1.00 0.00 C ATOM 916 C ILE A 59 7.858 -9.735 4.255 1.00 0.00 C ATOM 917 O ILE A 59 8.764 -10.337 3.681 1.00 0.00 O ATOM 918 CB ILE A 59 7.955 -7.887 5.939 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.070 -6.374 6.153 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.107 -8.614 6.621 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.315 -5.762 5.542 1.00 0.00 C ATOM 0 H ILE A 59 6.239 -6.963 4.378 1.00 0.00 H new ATOM 0 HA ILE A 59 8.832 -7.850 3.960 1.00 0.00 H new ATOM 0 HB ILE A 59 7.022 -8.228 6.388 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.192 -5.889 5.728 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.062 -6.166 7.223 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.115 -8.368 7.683 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.982 -9.690 6.498 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.050 -8.305 6.170 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.325 -4.689 5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.200 -6.219 5.985 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.316 -5.937 4.466 1.00 0.00 H new ATOM 933 N LYS A 60 6.786 -10.344 4.753 1.00 0.00 N ATOM 934 CA LYS A 60 6.608 -11.794 4.660 1.00 0.00 C ATOM 935 C LYS A 60 6.273 -12.244 3.236 1.00 0.00 C ATOM 936 O LYS A 60 6.315 -13.435 2.929 1.00 0.00 O ATOM 937 CB LYS A 60 5.510 -12.245 5.630 1.00 0.00 C ATOM 938 CG LYS A 60 5.293 -13.750 5.659 1.00 0.00 C ATOM 939 CD LYS A 60 3.973 -14.140 5.011 1.00 0.00 C ATOM 940 CE LYS A 60 2.806 -13.991 5.974 1.00 0.00 C ATOM 941 NZ LYS A 60 2.600 -12.577 6.394 1.00 0.00 N ATOM 0 H LYS A 60 6.025 -9.857 5.226 1.00 0.00 H new ATOM 0 HA LYS A 60 7.554 -12.262 4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.764 -11.905 6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.574 -11.758 5.356 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.114 -14.246 5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.309 -14.100 6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.801 -13.518 4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.029 -15.172 4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.897 -14.364 5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.983 -14.608 6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.685 -12.489 6.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.364 -12.292 7.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.607 -11.961 5.556 1.00 0.00 H new ATOM 955 N LEU A 61 5.956 -11.289 2.369 1.00 0.00 N ATOM 956 CA LEU A 61 5.578 -11.595 0.988 1.00 0.00 C ATOM 957 C LEU A 61 6.779 -11.750 0.059 1.00 0.00 C ATOM 958 O LEU A 61 6.872 -12.729 -0.681 1.00 0.00 O ATOM 959 CB LEU A 61 4.654 -10.502 0.459 1.00 0.00 C ATOM 960 CG LEU A 61 3.155 -10.729 0.684 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.889 -11.448 2.001 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.423 -9.400 0.650 1.00 0.00 C ATOM 0 H LEU A 61 5.952 -10.294 2.595 1.00 0.00 H new ATOM 0 HA LEU A 61 5.065 -12.557 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.934 -9.558 0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.829 -10.391 -0.611 1.00 0.00 H new ATOM 0 HG LEU A 61 2.784 -11.366 -0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.816 -11.592 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.387 -12.418 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.274 -10.849 2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.358 -9.567 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.811 -8.751 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.574 -8.926 -0.320 1.00 0.00 H new ATOM 974 N LEU A 62 7.695 -10.786 0.094 1.00 0.00 N ATOM 975 CA LEU A 62 8.875 -10.821 -0.762 1.00 0.00 C ATOM 976 C LEU A 62 9.689 -12.076 -0.487 1.00 0.00 C ATOM 977 O LEU A 62 10.624 -12.401 -1.217 1.00 0.00 O ATOM 978 CB LEU A 62 9.728 -9.576 -0.523 1.00 0.00 C ATOM 979 CG LEU A 62 8.985 -8.249 -0.686 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.641 -7.166 0.156 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.941 -7.838 -2.150 1.00 0.00 C ATOM 0 H LEU A 62 7.642 -9.972 0.706 1.00 0.00 H new ATOM 0 HA LEU A 62 8.555 -10.836 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.141 -9.624 0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.571 -9.592 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 62 7.961 -8.381 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.100 -6.228 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.619 -7.458 1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.675 -7.034 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.409 -6.892 -2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.957 -7.722 -2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.425 -8.605 -2.728 1.00 0.00 H new ATOM 993 N GLU A 63 9.321 -12.774 0.577 1.00 0.00 N ATOM 994 CA GLU A 63 10.002 -13.993 0.972 1.00 0.00 C ATOM 995 C GLU A 63 9.075 -15.201 0.868 1.00 0.00 C ATOM 996 O GLU A 63 9.530 -16.344 0.857 1.00 0.00 O ATOM 997 CB GLU A 63 10.515 -13.843 2.399 1.00 0.00 C ATOM 998 CG GLU A 63 9.453 -13.382 3.381 1.00 0.00 C ATOM 999 CD GLU A 63 9.955 -13.352 4.812 1.00 0.00 C ATOM 1000 OE1 GLU A 63 9.833 -14.383 5.506 1.00 0.00 O ATOM 1001 OE2 GLU A 63 10.470 -12.298 5.238 1.00 0.00 O ATOM 0 H GLU A 63 8.546 -12.512 1.186 1.00 0.00 H new ATOM 0 HA GLU A 63 10.841 -14.160 0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.917 -14.799 2.734 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.339 -13.130 2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.111 -12.386 3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.591 -14.046 3.316 1.00 0.00 H new ATOM 1008 N ASP A 64 7.772 -14.939 0.799 1.00 0.00 N ATOM 1009 CA ASP A 64 6.780 -16.005 0.698 1.00 0.00 C ATOM 1010 C ASP A 64 6.988 -16.823 -0.567 1.00 0.00 C ATOM 1011 O ASP A 64 6.736 -18.028 -0.595 1.00 0.00 O ATOM 1012 CB ASP A 64 5.366 -15.421 0.718 1.00 0.00 C ATOM 1013 CG ASP A 64 4.353 -16.383 1.308 1.00 0.00 C ATOM 1014 OD1 ASP A 64 3.941 -17.322 0.598 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.974 -16.196 2.484 1.00 0.00 O ATOM 0 H ASP A 64 7.379 -13.998 0.811 1.00 0.00 H new ATOM 0 HA ASP A 64 6.904 -16.664 1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.365 -14.497 1.296 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.068 -15.162 -0.298 1.00 0.00 H new ATOM 1020 N ASP A 65 7.453 -16.150 -1.604 1.00 0.00 N ATOM 1021 CA ASP A 65 7.708 -16.786 -2.894 1.00 0.00 C ATOM 1022 C ASP A 65 6.507 -17.600 -3.370 1.00 0.00 C ATOM 1023 O ASP A 65 6.665 -18.594 -4.080 1.00 0.00 O ATOM 1024 CB ASP A 65 8.944 -17.684 -2.805 1.00 0.00 C ATOM 1025 CG ASP A 65 10.226 -16.890 -2.646 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.376 -16.204 -1.613 1.00 0.00 O ATOM 1027 OD2 ASP A 65 11.079 -16.951 -3.556 1.00 0.00 O ATOM 0 H ASP A 65 7.665 -15.153 -1.582 1.00 0.00 H new ATOM 0 HA ASP A 65 7.885 -15.994 -3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.835 -18.365 -1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.009 -18.298 -3.703 1.00 0.00 H new ATOM 1032 N SER A 66 5.306 -17.174 -2.985 1.00 0.00 N ATOM 1033 CA SER A 66 4.090 -17.878 -3.384 1.00 0.00 C ATOM 1034 C SER A 66 3.602 -17.401 -4.749 1.00 0.00 C ATOM 1035 O SER A 66 2.564 -17.847 -5.238 1.00 0.00 O ATOM 1036 CB SER A 66 2.992 -17.682 -2.336 1.00 0.00 C ATOM 1037 OG SER A 66 1.799 -18.345 -2.716 1.00 0.00 O ATOM 0 H SER A 66 5.149 -16.352 -2.402 1.00 0.00 H new ATOM 0 HA SER A 66 4.326 -18.940 -3.457 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.332 -18.063 -1.373 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.795 -16.618 -2.206 1.00 0.00 H new ATOM 0 HG SER A 66 1.680 -18.274 -3.686 1.00 0.00 H new ATOM 1043 N GLY A 67 4.358 -16.493 -5.360 1.00 0.00 N ATOM 1044 CA GLY A 67 3.989 -15.972 -6.665 1.00 0.00 C ATOM 1045 C GLY A 67 3.018 -14.810 -6.578 1.00 0.00 C ATOM 1046 O GLY A 67 3.432 -13.655 -6.525 1.00 0.00 O ATOM 0 H GLY A 67 5.220 -16.108 -4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.888 -15.650 -7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.542 -16.770 -7.257 1.00 0.00 H new ATOM 1050 N PHE A 68 1.726 -15.115 -6.571 1.00 0.00 N ATOM 1051 CA PHE A 68 0.696 -14.082 -6.483 1.00 0.00 C ATOM 1052 C PHE A 68 0.876 -13.265 -5.207 1.00 0.00 C ATOM 1053 O PHE A 68 0.693 -12.047 -5.204 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.692 -14.733 -6.512 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.860 -13.778 -6.616 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.698 -12.444 -6.985 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -3.143 -14.236 -6.349 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.790 -11.602 -7.082 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -4.234 -13.394 -6.444 1.00 0.00 C ATOM 1060 CZ PHE A 68 -4.058 -12.077 -6.810 1.00 0.00 C ATOM 0 H PHE A 68 1.365 -16.067 -6.625 1.00 0.00 H new ATOM 0 HA PHE A 68 0.789 -13.410 -7.336 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.733 -15.422 -7.356 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.813 -15.329 -5.608 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.710 -12.064 -7.197 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.291 -15.267 -6.063 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.651 -10.571 -7.371 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.225 -13.768 -6.231 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.910 -11.418 -6.884 1.00 0.00 H new ATOM 1070 N VAL A 69 1.244 -13.947 -4.126 1.00 0.00 N ATOM 1071 CA VAL A 69 1.454 -13.291 -2.842 1.00 0.00 C ATOM 1072 C VAL A 69 2.755 -12.487 -2.837 1.00 0.00 C ATOM 1073 O VAL A 69 2.769 -11.319 -2.447 1.00 0.00 O ATOM 1074 CB VAL A 69 1.485 -14.311 -1.687 1.00 0.00 C ATOM 1075 CG1 VAL A 69 1.438 -13.603 -0.342 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.336 -15.300 -1.815 1.00 0.00 C ATOM 0 H VAL A 69 1.403 -14.955 -4.115 1.00 0.00 H new ATOM 0 HA VAL A 69 0.614 -12.613 -2.693 1.00 0.00 H new ATOM 0 HB VAL A 69 2.422 -14.865 -1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.461 -14.342 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.299 -12.940 -0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.521 -13.018 -0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.375 -16.012 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.612 -14.762 -1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.420 -15.835 -2.761 1.00 0.00 H new ATOM 1086 N ARG A 70 3.846 -13.118 -3.273 1.00 0.00 N ATOM 1087 CA ARG A 70 5.149 -12.452 -3.312 1.00 0.00 C ATOM 1088 C ARG A 70 5.122 -11.257 -4.260 1.00 0.00 C ATOM 1089 O ARG A 70 5.403 -10.129 -3.857 1.00 0.00 O ATOM 1090 CB ARG A 70 6.244 -13.430 -3.746 1.00 0.00 C ATOM 1091 CG ARG A 70 7.641 -12.825 -3.710 1.00 0.00 C ATOM 1092 CD ARG A 70 8.625 -13.641 -4.530 1.00 0.00 C ATOM 1093 NE ARG A 70 8.173 -13.821 -5.907 1.00 0.00 N ATOM 1094 CZ ARG A 70 8.809 -14.568 -6.803 1.00 0.00 C ATOM 1095 NH1 ARG A 70 9.924 -15.206 -6.470 1.00 0.00 N ATOM 1096 NH2 ARG A 70 8.331 -14.681 -8.034 1.00 0.00 N ATOM 0 H ARG A 70 3.854 -14.083 -3.602 1.00 0.00 H new ATOM 0 HA ARG A 70 5.370 -12.096 -2.306 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.218 -14.305 -3.097 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.032 -13.777 -4.757 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.606 -11.805 -4.092 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.987 -12.767 -2.678 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.596 -13.146 -4.529 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.764 -14.616 -4.064 1.00 0.00 H new ATOM 0 HE ARG A 70 7.319 -13.345 -6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.295 -15.124 -5.524 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.410 -15.779 -7.160 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.474 -14.194 -8.295 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.821 -15.255 -8.721 1.00 0.00 H new ATOM 1110 N SER A 71 4.794 -11.518 -5.523 1.00 0.00 N ATOM 1111 CA SER A 71 4.721 -10.467 -6.532 1.00 0.00 C ATOM 1112 C SER A 71 3.840 -9.321 -6.055 1.00 0.00 C ATOM 1113 O SER A 71 4.011 -8.178 -6.478 1.00 0.00 O ATOM 1114 CB SER A 71 4.186 -11.027 -7.849 1.00 0.00 C ATOM 1115 OG SER A 71 4.008 -9.998 -8.808 1.00 0.00 O ATOM 0 H SER A 71 4.574 -12.451 -5.872 1.00 0.00 H new ATOM 0 HA SER A 71 5.728 -10.084 -6.696 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.878 -11.774 -8.237 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.236 -11.533 -7.673 1.00 0.00 H new ATOM 0 HG SER A 71 3.666 -10.383 -9.642 1.00 0.00 H new ATOM 1121 N GLY A 72 2.896 -9.637 -5.175 1.00 0.00 N ATOM 1122 CA GLY A 72 2.014 -8.619 -4.645 1.00 0.00 C ATOM 1123 C GLY A 72 2.784 -7.542 -3.917 1.00 0.00 C ATOM 1124 O GLY A 72 2.469 -6.358 -4.024 1.00 0.00 O ATOM 0 H GLY A 72 2.728 -10.579 -4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.443 -8.172 -5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.296 -9.077 -3.965 1.00 0.00 H new ATOM 1128 N ALA A 73 3.800 -7.963 -3.175 1.00 0.00 N ATOM 1129 CA ALA A 73 4.637 -7.037 -2.435 1.00 0.00 C ATOM 1130 C ALA A 73 5.515 -6.241 -3.385 1.00 0.00 C ATOM 1131 O ALA A 73 5.566 -5.013 -3.318 1.00 0.00 O ATOM 1132 CB ALA A 73 5.493 -7.786 -1.430 1.00 0.00 C ATOM 0 H ALA A 73 4.062 -8.943 -3.072 1.00 0.00 H new ATOM 0 HA ALA A 73 3.992 -6.344 -1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.115 -7.078 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.850 -8.320 -0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.130 -8.499 -1.954 1.00 0.00 H new ATOM 1138 N ALA A 74 6.193 -6.951 -4.280 1.00 0.00 N ATOM 1139 CA ALA A 74 7.070 -6.318 -5.249 1.00 0.00 C ATOM 1140 C ALA A 74 6.298 -5.298 -6.071 1.00 0.00 C ATOM 1141 O ALA A 74 6.864 -4.339 -6.596 1.00 0.00 O ATOM 1142 CB ALA A 74 7.692 -7.367 -6.155 1.00 0.00 C ATOM 0 H ALA A 74 6.150 -7.968 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 74 7.867 -5.801 -4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.348 -6.881 -6.878 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.271 -8.069 -5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.905 -7.904 -6.684 1.00 0.00 H new ATOM 1148 N ARG A 75 4.994 -5.522 -6.171 1.00 0.00 N ATOM 1149 CA ARG A 75 4.116 -4.639 -6.920 1.00 0.00 C ATOM 1150 C ARG A 75 3.684 -3.457 -6.057 1.00 0.00 C ATOM 1151 O ARG A 75 3.472 -2.352 -6.557 1.00 0.00 O ATOM 1152 CB ARG A 75 2.887 -5.416 -7.400 1.00 0.00 C ATOM 1153 CG ARG A 75 2.091 -4.707 -8.481 1.00 0.00 C ATOM 1154 CD ARG A 75 0.858 -5.506 -8.876 1.00 0.00 C ATOM 1155 NE ARG A 75 0.217 -4.961 -10.072 1.00 0.00 N ATOM 1156 CZ ARG A 75 0.411 -5.439 -11.298 1.00 0.00 C ATOM 1157 NH1 ARG A 75 1.226 -6.466 -11.492 1.00 0.00 N ATOM 1158 NH2 ARG A 75 -0.213 -4.890 -12.332 1.00 0.00 N ATOM 0 H ARG A 75 4.520 -6.315 -5.738 1.00 0.00 H new ATOM 0 HA ARG A 75 4.658 -4.256 -7.784 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.208 -6.387 -7.778 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.234 -5.606 -6.548 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.790 -3.722 -8.126 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.721 -4.551 -9.356 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.140 -6.544 -9.056 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.146 -5.507 -8.051 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.415 -4.169 -9.960 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.707 -6.892 -10.700 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.372 -6.830 -12.433 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.842 -4.100 -12.187 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.063 -5.257 -13.272 1.00 0.00 H new ATOM 1172 N SER A 76 3.555 -3.705 -4.757 1.00 0.00 N ATOM 1173 CA SER A 76 3.143 -2.676 -3.809 1.00 0.00 C ATOM 1174 C SER A 76 4.196 -1.578 -3.662 1.00 0.00 C ATOM 1175 O SER A 76 3.865 -0.392 -3.660 1.00 0.00 O ATOM 1176 CB SER A 76 2.855 -3.306 -2.446 1.00 0.00 C ATOM 1177 OG SER A 76 1.768 -4.214 -2.524 1.00 0.00 O ATOM 0 H SER A 76 3.731 -4.616 -4.334 1.00 0.00 H new ATOM 0 HA SER A 76 2.236 -2.214 -4.200 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.743 -3.827 -2.087 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.629 -2.524 -1.721 1.00 0.00 H new ATOM 0 HG SER A 76 2.015 -4.971 -3.095 1.00 0.00 H new ATOM 1183 N LEU A 77 5.461 -1.975 -3.541 1.00 0.00 N ATOM 1184 CA LEU A 77 6.552 -1.012 -3.382 1.00 0.00 C ATOM 1185 C LEU A 77 6.569 0.008 -4.519 1.00 0.00 C ATOM 1186 O LEU A 77 6.454 1.211 -4.283 1.00 0.00 O ATOM 1187 CB LEU A 77 7.905 -1.732 -3.322 1.00 0.00 C ATOM 1188 CG LEU A 77 8.258 -2.357 -1.971 1.00 0.00 C ATOM 1189 CD1 LEU A 77 7.936 -3.842 -1.965 1.00 0.00 C ATOM 1190 CD2 LEU A 77 9.725 -2.128 -1.645 1.00 0.00 C ATOM 0 H LEU A 77 5.756 -2.951 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 77 6.382 -0.483 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.914 -2.516 -4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.687 -1.022 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 77 7.654 -1.874 -1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.195 -4.266 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.871 -3.984 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.511 -4.342 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.958 -2.579 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.345 -2.583 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.925 -1.057 -1.603 1.00 0.00 H new ATOM 1202 N GLU A 78 6.717 -0.480 -5.746 1.00 0.00 N ATOM 1203 CA GLU A 78 6.749 0.385 -6.924 1.00 0.00 C ATOM 1204 C GLU A 78 5.583 1.375 -6.931 1.00 0.00 C ATOM 1205 O GLU A 78 5.734 2.518 -7.362 1.00 0.00 O ATOM 1206 CB GLU A 78 6.720 -0.458 -8.199 1.00 0.00 C ATOM 1207 CG GLU A 78 7.862 -1.457 -8.291 1.00 0.00 C ATOM 1208 CD GLU A 78 7.883 -2.199 -9.613 1.00 0.00 C ATOM 1209 OE1 GLU A 78 7.070 -3.132 -9.782 1.00 0.00 O ATOM 1210 OE2 GLU A 78 8.713 -1.848 -10.477 1.00 0.00 O ATOM 0 H GLU A 78 6.817 -1.474 -5.953 1.00 0.00 H new ATOM 0 HA GLU A 78 7.676 0.957 -6.886 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.773 -0.995 -8.249 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.756 0.204 -9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.809 -0.934 -8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.777 -2.176 -7.476 1.00 0.00 H new ATOM 1217 N GLN A 79 4.423 0.931 -6.453 1.00 0.00 N ATOM 1218 CA GLN A 79 3.239 1.786 -6.410 1.00 0.00 C ATOM 1219 C GLN A 79 3.431 2.945 -5.437 1.00 0.00 C ATOM 1220 O GLN A 79 3.330 4.112 -5.818 1.00 0.00 O ATOM 1221 CB GLN A 79 2.006 0.975 -6.005 1.00 0.00 C ATOM 1222 CG GLN A 79 1.535 0.006 -7.076 1.00 0.00 C ATOM 1223 CD GLN A 79 0.477 -0.956 -6.573 1.00 0.00 C ATOM 1224 OE1 GLN A 79 -0.393 -1.389 -7.329 1.00 0.00 O ATOM 1225 NE2 GLN A 79 0.551 -1.302 -5.293 1.00 0.00 N ATOM 0 H GLN A 79 4.278 -0.012 -6.091 1.00 0.00 H new ATOM 0 HA GLN A 79 3.089 2.193 -7.410 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.231 0.417 -5.096 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.193 1.661 -5.765 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.136 0.570 -7.919 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.389 -0.561 -7.447 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.289 -0.918 -4.703 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.130 -1.951 -4.900 1.00 0.00 H new ATOM 1234 N ILE A 80 3.707 2.613 -4.179 1.00 0.00 N ATOM 1235 CA ILE A 80 3.908 3.620 -3.143 1.00 0.00 C ATOM 1236 C ILE A 80 4.975 4.633 -3.550 1.00 0.00 C ATOM 1237 O ILE A 80 4.700 5.829 -3.652 1.00 0.00 O ATOM 1238 CB ILE A 80 4.311 2.969 -1.805 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.199 2.035 -1.317 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.612 4.036 -0.761 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.572 1.228 -0.092 1.00 0.00 C ATOM 0 H ILE A 80 3.797 1.651 -3.852 1.00 0.00 H new ATOM 0 HA ILE A 80 2.958 4.139 -3.017 1.00 0.00 H new ATOM 0 HB ILE A 80 5.215 2.381 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.312 2.627 -1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.932 1.352 -2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.895 3.558 0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.431 4.665 -1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.726 4.650 -0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.735 0.591 0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.440 0.608 -0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.810 1.903 0.730 1.00 0.00 H new ATOM 1253 N GLY A 81 6.191 4.148 -3.784 1.00 0.00 N ATOM 1254 CA GLY A 81 7.278 5.026 -4.174 1.00 0.00 C ATOM 1255 C GLY A 81 7.563 6.092 -3.132 1.00 0.00 C ATOM 1256 O GLY A 81 7.011 7.191 -3.192 1.00 0.00 O ATOM 0 H GLY A 81 6.442 3.162 -3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.178 4.434 -4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.032 5.505 -5.122 1.00 0.00 H new ATOM 1260 N GLY A 82 8.429 5.766 -2.177 1.00 0.00 N ATOM 1261 CA GLY A 82 8.770 6.713 -1.131 1.00 0.00 C ATOM 1262 C GLY A 82 9.679 6.111 -0.078 1.00 0.00 C ATOM 1263 O GLY A 82 9.937 4.907 -0.086 1.00 0.00 O ATOM 0 H GLY A 82 8.900 4.864 -2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.258 7.580 -1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.856 7.070 -0.656 1.00 0.00 H new ATOM 1267 N GLU A 83 10.166 6.951 0.833 1.00 0.00 N ATOM 1268 CA GLU A 83 11.054 6.500 1.900 1.00 0.00 C ATOM 1269 C GLU A 83 10.333 5.560 2.859 1.00 0.00 C ATOM 1270 O GLU A 83 10.965 4.769 3.559 1.00 0.00 O ATOM 1271 CB GLU A 83 11.616 7.696 2.667 1.00 0.00 C ATOM 1272 CG GLU A 83 12.756 8.393 1.946 1.00 0.00 C ATOM 1273 CD GLU A 83 13.300 9.576 2.723 1.00 0.00 C ATOM 1274 OE1 GLU A 83 12.597 10.605 2.807 1.00 0.00 O ATOM 1275 OE2 GLU A 83 14.429 9.474 3.249 1.00 0.00 O ATOM 0 H GLU A 83 9.959 7.950 0.853 1.00 0.00 H new ATOM 0 HA GLU A 83 11.876 5.953 1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.815 8.414 2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.965 7.361 3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.560 7.679 1.769 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.410 8.732 0.970 1.00 0.00 H new ATOM 1282 N ARG A 84 9.009 5.654 2.890 1.00 0.00 N ATOM 1283 CA ARG A 84 8.208 4.811 3.769 1.00 0.00 C ATOM 1284 C ARG A 84 8.364 3.344 3.388 1.00 0.00 C ATOM 1285 O ARG A 84 8.853 2.535 4.177 1.00 0.00 O ATOM 1286 CB ARG A 84 6.727 5.222 3.712 1.00 0.00 C ATOM 1287 CG ARG A 84 6.263 5.701 2.341 1.00 0.00 C ATOM 1288 CD ARG A 84 6.390 7.211 2.202 1.00 0.00 C ATOM 1289 NE ARG A 84 5.443 7.921 3.055 1.00 0.00 N ATOM 1290 CZ ARG A 84 4.893 9.088 2.734 1.00 0.00 C ATOM 1291 NH1 ARG A 84 5.197 9.672 1.582 1.00 0.00 N ATOM 1292 NH2 ARG A 84 4.038 9.672 3.563 1.00 0.00 N ATOM 0 H ARG A 84 8.469 6.303 2.318 1.00 0.00 H new ATOM 0 HA ARG A 84 8.565 4.946 4.790 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.114 4.373 4.014 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.554 6.015 4.439 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.853 5.213 1.566 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.225 5.407 2.184 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.405 7.514 2.457 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.224 7.494 1.163 1.00 0.00 H new ATOM 0 HE ARG A 84 5.189 7.498 3.948 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.853 9.226 0.941 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.774 10.567 1.337 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.801 9.226 4.449 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.617 10.567 3.314 1.00 0.00 H new ATOM 1306 N VAL A 85 7.943 3.012 2.178 1.00 0.00 N ATOM 1307 CA VAL A 85 8.040 1.655 1.670 1.00 0.00 C ATOM 1308 C VAL A 85 9.490 1.289 1.384 1.00 0.00 C ATOM 1309 O VAL A 85 9.845 0.116 1.299 1.00 0.00 O ATOM 1310 CB VAL A 85 7.210 1.490 0.388 1.00 0.00 C ATOM 1311 CG1 VAL A 85 7.953 2.043 -0.816 1.00 0.00 C ATOM 1312 CG2 VAL A 85 6.832 0.035 0.181 1.00 0.00 C ATOM 0 H VAL A 85 7.526 3.674 1.523 1.00 0.00 H new ATOM 0 HA VAL A 85 7.647 0.987 2.436 1.00 0.00 H new ATOM 0 HB VAL A 85 6.290 2.064 0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.344 1.914 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.154 3.103 -0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.895 1.509 -0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.244 -0.062 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.736 -0.567 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.243 -0.312 1.030 1.00 0.00 H new ATOM 1322 N ARG A 86 10.313 2.315 1.211 1.00 0.00 N ATOM 1323 CA ARG A 86 11.734 2.135 0.924 1.00 0.00 C ATOM 1324 C ARG A 86 12.385 1.180 1.918 1.00 0.00 C ATOM 1325 O ARG A 86 13.126 0.279 1.530 1.00 0.00 O ATOM 1326 CB ARG A 86 12.445 3.486 0.965 1.00 0.00 C ATOM 1327 CG ARG A 86 13.937 3.406 0.677 1.00 0.00 C ATOM 1328 CD ARG A 86 14.635 4.716 1.005 1.00 0.00 C ATOM 1329 NE ARG A 86 16.071 4.654 0.745 1.00 0.00 N ATOM 1330 CZ ARG A 86 16.921 5.626 1.067 1.00 0.00 C ATOM 1331 NH1 ARG A 86 16.482 6.729 1.659 1.00 0.00 N ATOM 1332 NH2 ARG A 86 18.213 5.495 0.798 1.00 0.00 N ATOM 0 H ARG A 86 10.019 3.290 1.265 1.00 0.00 H new ATOM 0 HA ARG A 86 11.825 1.701 -0.072 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.980 4.153 0.239 1.00 0.00 H new ATOM 0 HB3 ARG A 86 12.298 3.933 1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.379 2.600 1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.094 3.161 -0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 86 14.194 5.519 0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 86 14.467 4.963 2.053 1.00 0.00 H new ATOM 0 HE ARG A 86 16.443 3.819 0.292 1.00 0.00 H new ATOM 0 HH11 ARG A 86 15.489 6.835 1.869 1.00 0.00 H new ATOM 0 HH12 ARG A 86 17.137 7.472 1.904 1.00 0.00 H new ATOM 0 HH21 ARG A 86 18.556 4.649 0.344 1.00 0.00 H new ATOM 0 HH22 ARG A 86 18.864 6.241 1.045 1.00 0.00 H new ATOM 1346 N ALA A 87 12.102 1.386 3.199 1.00 0.00 N ATOM 1347 CA ALA A 87 12.661 0.551 4.253 1.00 0.00 C ATOM 1348 C ALA A 87 12.351 -0.921 4.008 1.00 0.00 C ATOM 1349 O ALA A 87 13.061 -1.802 4.492 1.00 0.00 O ATOM 1350 CB ALA A 87 12.131 0.995 5.608 1.00 0.00 C ATOM 0 H ALA A 87 11.486 2.127 3.533 1.00 0.00 H new ATOM 0 HA ALA A 87 13.745 0.667 4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.555 0.364 6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.413 2.033 5.787 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.045 0.907 5.620 1.00 0.00 H new ATOM 1356 N ALA A 88 11.286 -1.178 3.254 1.00 0.00 N ATOM 1357 CA ALA A 88 10.890 -2.543 2.939 1.00 0.00 C ATOM 1358 C ALA A 88 11.873 -3.168 1.958 1.00 0.00 C ATOM 1359 O ALA A 88 12.260 -4.326 2.108 1.00 0.00 O ATOM 1360 CB ALA A 88 9.477 -2.579 2.377 1.00 0.00 C ATOM 0 H ALA A 88 10.684 -0.459 2.852 1.00 0.00 H new ATOM 0 HA ALA A 88 10.903 -3.125 3.860 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.202 -3.609 2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.783 -2.173 3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.432 -1.981 1.467 1.00 0.00 H new ATOM 1366 N MET A 89 12.276 -2.391 0.952 1.00 0.00 N ATOM 1367 CA MET A 89 13.221 -2.873 -0.039 1.00 0.00 C ATOM 1368 C MET A 89 14.605 -2.983 0.583 1.00 0.00 C ATOM 1369 O MET A 89 15.408 -3.831 0.195 1.00 0.00 O ATOM 1370 CB MET A 89 13.239 -1.942 -1.256 1.00 0.00 C ATOM 1371 CG MET A 89 14.281 -0.838 -1.192 1.00 0.00 C ATOM 1372 SD MET A 89 15.931 -1.395 -1.663 1.00 0.00 S ATOM 1373 CE MET A 89 16.904 0.056 -1.274 1.00 0.00 C ATOM 0 H MET A 89 11.961 -1.432 0.808 1.00 0.00 H new ATOM 0 HA MET A 89 12.913 -3.862 -0.378 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.415 -2.539 -2.151 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.254 -1.488 -1.364 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.978 -0.022 -1.848 1.00 0.00 H new ATOM 0 HG3 MET A 89 14.315 -0.437 -0.179 1.00 0.00 H new ATOM 0 HE1 MET A 89 17.678 0.189 -2.030 1.00 0.00 H new ATOM 0 HE2 MET A 89 16.258 0.934 -1.258 1.00 0.00 H new ATOM 0 HE3 MET A 89 17.370 -0.070 -0.297 1.00 0.00 H new ATOM 1383 N GLU A 90 14.879 -2.112 1.550 1.00 0.00 N ATOM 1384 CA GLU A 90 16.159 -2.121 2.242 1.00 0.00 C ATOM 1385 C GLU A 90 16.290 -3.397 3.058 1.00 0.00 C ATOM 1386 O GLU A 90 17.362 -3.997 3.131 1.00 0.00 O ATOM 1387 CB GLU A 90 16.285 -0.901 3.160 1.00 0.00 C ATOM 1388 CG GLU A 90 16.250 0.428 2.422 1.00 0.00 C ATOM 1389 CD GLU A 90 16.454 1.612 3.348 1.00 0.00 C ATOM 1390 OE1 GLU A 90 15.467 2.060 3.967 1.00 0.00 O ATOM 1391 OE2 GLU A 90 17.603 2.092 3.452 1.00 0.00 O ATOM 0 H GLU A 90 14.231 -1.393 1.870 1.00 0.00 H new ATOM 0 HA GLU A 90 16.957 -2.080 1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.476 -0.922 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.219 -0.972 3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 90 17.023 0.434 1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 90 15.293 0.531 1.911 1.00 0.00 H new ATOM 1398 N LYS A 91 15.182 -3.805 3.671 1.00 0.00 N ATOM 1399 CA LYS A 91 15.156 -5.018 4.479 1.00 0.00 C ATOM 1400 C LYS A 91 15.094 -6.263 3.600 1.00 0.00 C ATOM 1401 O LYS A 91 15.481 -7.351 4.027 1.00 0.00 O ATOM 1402 CB LYS A 91 13.961 -4.997 5.436 1.00 0.00 C ATOM 1403 CG LYS A 91 14.102 -3.990 6.569 1.00 0.00 C ATOM 1404 CD LYS A 91 15.227 -4.370 7.521 1.00 0.00 C ATOM 1405 CE LYS A 91 14.916 -5.654 8.274 1.00 0.00 C ATOM 1406 NZ LYS A 91 16.039 -6.064 9.162 1.00 0.00 N ATOM 0 H LYS A 91 14.290 -3.312 3.623 1.00 0.00 H new ATOM 0 HA LYS A 91 16.078 -5.052 5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.058 -4.770 4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.829 -5.992 5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.294 -3.000 6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.164 -3.928 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.153 -4.492 6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.390 -3.561 8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.014 -5.516 8.870 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.708 -6.452 7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.787 -6.943 9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 16.894 -6.221 8.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.222 -5.314 9.859 1.00 0.00 H new ATOM 1420 N LEU A 92 14.609 -6.102 2.371 1.00 0.00 N ATOM 1421 CA LEU A 92 14.509 -7.213 1.448 1.00 0.00 C ATOM 1422 C LEU A 92 15.830 -7.387 0.706 1.00 0.00 C ATOM 1423 O LEU A 92 16.176 -8.486 0.277 1.00 0.00 O ATOM 1424 CB LEU A 92 13.347 -6.970 0.478 1.00 0.00 C ATOM 1425 CG LEU A 92 13.548 -7.499 -0.937 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.511 -9.022 -0.955 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.491 -6.930 -1.870 1.00 0.00 C ATOM 0 H LEU A 92 14.281 -5.211 1.998 1.00 0.00 H new ATOM 0 HA LEU A 92 14.308 -8.134 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.449 -7.427 0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.162 -5.897 0.423 1.00 0.00 H new ATOM 0 HG LEU A 92 14.529 -7.178 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.657 -9.377 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.304 -9.413 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.546 -9.367 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.648 -7.317 -2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.501 -7.222 -1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.565 -5.843 -1.884 1.00 0.00 H new ATOM 1439 N ALA A 93 16.570 -6.291 0.571 1.00 0.00 N ATOM 1440 CA ALA A 93 17.861 -6.318 -0.102 1.00 0.00 C ATOM 1441 C ALA A 93 18.861 -7.148 0.698 1.00 0.00 C ATOM 1442 O ALA A 93 19.833 -7.669 0.151 1.00 0.00 O ATOM 1443 CB ALA A 93 18.384 -4.903 -0.299 1.00 0.00 C ATOM 0 H ALA A 93 16.296 -5.373 0.920 1.00 0.00 H new ATOM 0 HA ALA A 93 17.733 -6.780 -1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.350 -4.939 -0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.679 -4.336 -0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.499 -4.419 0.671 1.00 0.00 H new ATOM 1449 N GLU A 94 18.609 -7.263 2.003 1.00 0.00 N ATOM 1450 CA GLU A 94 19.475 -8.032 2.891 1.00 0.00 C ATOM 1451 C GLU A 94 19.165 -9.521 2.778 1.00 0.00 C ATOM 1452 O GLU A 94 20.023 -10.369 3.023 1.00 0.00 O ATOM 1453 CB GLU A 94 19.296 -7.569 4.340 1.00 0.00 C ATOM 1454 CG GLU A 94 20.262 -8.225 5.313 1.00 0.00 C ATOM 1455 CD GLU A 94 19.999 -7.828 6.753 1.00 0.00 C ATOM 1456 OE1 GLU A 94 20.523 -6.779 7.185 1.00 0.00 O ATOM 1457 OE2 GLU A 94 19.271 -8.567 7.448 1.00 0.00 O ATOM 0 H GLU A 94 17.810 -6.831 2.467 1.00 0.00 H new ATOM 0 HA GLU A 94 20.510 -7.865 2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 94 19.426 -6.488 4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.275 -7.781 4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 94 20.187 -9.308 5.219 1.00 0.00 H new ATOM 0 HG3 GLU A 94 21.283 -7.952 5.045 1.00 0.00 H new ATOM 1464 N THR A 95 17.927 -9.828 2.401 1.00 0.00 N ATOM 1465 CA THR A 95 17.490 -11.206 2.239 1.00 0.00 C ATOM 1466 C THR A 95 17.111 -11.452 0.789 1.00 0.00 C ATOM 1467 O THR A 95 16.385 -12.393 0.468 1.00 0.00 O ATOM 1468 CB THR A 95 16.280 -11.525 3.139 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.206 -10.621 2.855 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.653 -11.429 4.610 1.00 0.00 C ATOM 0 H THR A 95 17.207 -9.134 2.202 1.00 0.00 H new ATOM 0 HA THR A 95 18.315 -11.856 2.531 1.00 0.00 H new ATOM 0 HB THR A 95 15.962 -12.546 2.929 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.441 -10.831 3.430 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.781 -11.659 5.222 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.449 -12.140 4.831 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.997 -10.419 4.833 1.00 0.00 H new ATOM 1478 N GLY A 96 17.622 -10.587 -0.082 1.00 0.00 N ATOM 1479 CA GLY A 96 17.335 -10.681 -1.495 1.00 0.00 C ATOM 1480 C GLY A 96 17.637 -12.045 -2.077 1.00 0.00 C ATOM 1481 O GLY A 96 18.767 -12.527 -2.005 1.00 0.00 O ATOM 0 H GLY A 96 18.237 -9.815 0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.283 -10.447 -1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.917 -9.929 -2.028 1.00 0.00 H new ATOM 1485 N THR A 97 16.614 -12.662 -2.650 1.00 0.00 N ATOM 1486 CA THR A 97 16.759 -13.975 -3.265 1.00 0.00 C ATOM 1487 C THR A 97 15.910 -14.079 -4.530 1.00 0.00 C ATOM 1488 O THR A 97 14.722 -13.756 -4.520 1.00 0.00 O ATOM 1489 CB THR A 97 16.355 -15.099 -2.293 1.00 0.00 C ATOM 1490 OG1 THR A 97 17.072 -14.960 -1.061 1.00 0.00 O ATOM 1491 CG2 THR A 97 16.640 -16.466 -2.900 1.00 0.00 C ATOM 0 H THR A 97 15.672 -12.274 -2.702 1.00 0.00 H new ATOM 0 HA THR A 97 17.811 -14.093 -3.523 1.00 0.00 H new ATOM 0 HB THR A 97 15.285 -15.019 -2.102 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.776 -14.148 -0.600 1.00 0.00 H new ATOM 0 HG21 THR A 97 16.347 -17.245 -2.196 1.00 0.00 H new ATOM 0 HG22 THR A 97 16.073 -16.579 -3.824 1.00 0.00 H new ATOM 0 HG23 THR A 97 17.705 -16.554 -3.115 1.00 0.00 H new ATOM 1499 N GLY A 98 16.530 -14.531 -5.616 1.00 0.00 N ATOM 1500 CA GLY A 98 15.821 -14.673 -6.876 1.00 0.00 C ATOM 1501 C GLY A 98 15.208 -13.371 -7.357 1.00 0.00 C ATOM 1502 O GLY A 98 15.882 -12.343 -7.425 1.00 0.00 O ATOM 0 H GLY A 98 17.513 -14.802 -5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.509 -15.047 -7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.035 -15.419 -6.763 1.00 0.00 H new ATOM 1506 N PHE A 99 13.922 -13.422 -7.694 1.00 0.00 N ATOM 1507 CA PHE A 99 13.200 -12.247 -8.177 1.00 0.00 C ATOM 1508 C PHE A 99 12.985 -11.232 -7.057 1.00 0.00 C ATOM 1509 O PHE A 99 13.016 -10.023 -7.289 1.00 0.00 O ATOM 1510 CB PHE A 99 11.854 -12.677 -8.771 1.00 0.00 C ATOM 1511 CG PHE A 99 10.904 -11.542 -9.038 1.00 0.00 C ATOM 1512 CD1 PHE A 99 11.028 -10.766 -10.180 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.882 -11.255 -8.146 1.00 0.00 C ATOM 1514 CE1 PHE A 99 10.152 -9.724 -10.424 1.00 0.00 C ATOM 1515 CE2 PHE A 99 9.003 -10.216 -8.386 1.00 0.00 C ATOM 1516 CZ PHE A 99 9.139 -9.449 -9.527 1.00 0.00 C ATOM 0 H PHE A 99 13.356 -14.269 -7.641 1.00 0.00 H new ATOM 0 HA PHE A 99 13.800 -11.767 -8.950 1.00 0.00 H new ATOM 0 HB2 PHE A 99 12.036 -13.210 -9.704 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.378 -13.381 -8.089 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.817 -10.977 -10.887 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.771 -11.851 -7.252 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.260 -9.125 -11.316 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.211 -10.004 -7.683 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.454 -8.636 -9.717 1.00 0.00 H new ATOM 1526 N ALA A 100 12.772 -11.734 -5.845 1.00 0.00 N ATOM 1527 CA ALA A 100 12.540 -10.883 -4.681 1.00 0.00 C ATOM 1528 C ALA A 100 13.624 -9.818 -4.524 1.00 0.00 C ATOM 1529 O ALA A 100 13.344 -8.696 -4.112 1.00 0.00 O ATOM 1530 CB ALA A 100 12.461 -11.734 -3.425 1.00 0.00 C ATOM 0 H ALA A 100 12.755 -12.733 -5.642 1.00 0.00 H new ATOM 0 HA ALA A 100 11.593 -10.366 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.288 -11.092 -2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.641 -12.446 -3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.398 -12.275 -3.293 1.00 0.00 H new ATOM 1536 N ARG A 101 14.860 -10.174 -4.855 1.00 0.00 N ATOM 1537 CA ARG A 101 15.982 -9.247 -4.730 1.00 0.00 C ATOM 1538 C ARG A 101 15.934 -8.155 -5.792 1.00 0.00 C ATOM 1539 O ARG A 101 15.923 -6.966 -5.470 1.00 0.00 O ATOM 1540 CB ARG A 101 17.299 -10.003 -4.836 1.00 0.00 C ATOM 1541 CG ARG A 101 18.523 -9.137 -4.580 1.00 0.00 C ATOM 1542 CD ARG A 101 19.672 -9.954 -4.015 1.00 0.00 C ATOM 1543 NE ARG A 101 20.895 -9.168 -3.883 1.00 0.00 N ATOM 1544 CZ ARG A 101 22.004 -9.623 -3.307 1.00 0.00 C ATOM 1545 NH1 ARG A 101 22.044 -10.853 -2.813 1.00 0.00 N ATOM 1546 NH2 ARG A 101 23.077 -8.846 -3.225 1.00 0.00 N ATOM 0 H ARG A 101 15.112 -11.096 -5.211 1.00 0.00 H new ATOM 0 HA ARG A 101 15.907 -8.771 -3.752 1.00 0.00 H new ATOM 0 HB2 ARG A 101 17.293 -10.828 -4.123 1.00 0.00 H new ATOM 0 HB3 ARG A 101 17.377 -10.442 -5.831 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.835 -8.662 -5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.266 -8.338 -3.884 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.389 -10.349 -3.039 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.860 -10.810 -4.663 1.00 0.00 H new ATOM 0 HE ARG A 101 20.899 -8.217 -4.253 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.222 -11.454 -2.874 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.897 -11.198 -2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 101 23.051 -7.899 -3.604 1.00 0.00 H new ATOM 0 HH22 ARG A 101 23.927 -9.196 -2.783 1.00 0.00 H new ATOM 1560 N LYS A 102 15.918 -8.568 -7.058 1.00 0.00 N ATOM 1561 CA LYS A 102 15.875 -7.631 -8.177 1.00 0.00 C ATOM 1562 C LYS A 102 14.792 -6.581 -7.961 1.00 0.00 C ATOM 1563 O LYS A 102 14.836 -5.495 -8.536 1.00 0.00 O ATOM 1564 CB LYS A 102 15.620 -8.391 -9.478 1.00 0.00 C ATOM 1565 CG LYS A 102 15.613 -7.508 -10.711 1.00 0.00 C ATOM 1566 CD LYS A 102 15.310 -8.314 -11.963 1.00 0.00 C ATOM 1567 CE LYS A 102 15.298 -7.433 -13.199 1.00 0.00 C ATOM 1568 NZ LYS A 102 16.649 -6.888 -13.506 1.00 0.00 N ATOM 0 H LYS A 102 15.934 -9.550 -7.334 1.00 0.00 H new ATOM 0 HA LYS A 102 16.836 -7.121 -8.241 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.386 -9.158 -9.596 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.662 -8.906 -9.406 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.868 -6.721 -10.593 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.581 -7.018 -10.816 1.00 0.00 H new ATOM 0 HD2 LYS A 102 16.056 -9.100 -12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.343 -8.806 -11.856 1.00 0.00 H new ATOM 0 HE2 LYS A 102 14.936 -8.008 -14.051 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.599 -6.609 -13.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 16.636 -6.435 -14.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.912 -6.186 -12.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 17.344 -7.662 -13.505 1.00 0.00 H new ATOM 1582 N VAL A 103 13.824 -6.918 -7.121 1.00 0.00 N ATOM 1583 CA VAL A 103 12.722 -6.022 -6.810 1.00 0.00 C ATOM 1584 C VAL A 103 13.191 -4.809 -6.009 1.00 0.00 C ATOM 1585 O VAL A 103 13.051 -3.671 -6.451 1.00 0.00 O ATOM 1586 CB VAL A 103 11.639 -6.770 -6.010 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.663 -5.798 -5.361 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.904 -7.750 -6.910 1.00 0.00 C ATOM 0 H VAL A 103 13.781 -7.816 -6.639 1.00 0.00 H new ATOM 0 HA VAL A 103 12.310 -5.671 -7.756 1.00 0.00 H new ATOM 0 HB VAL A 103 12.129 -7.328 -5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.911 -6.356 -4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.203 -5.139 -4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.175 -5.202 -6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.141 -8.272 -6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.431 -7.208 -7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.612 -8.474 -7.315 1.00 0.00 H new ATOM 1598 N ALA A 104 13.752 -5.066 -4.832 1.00 0.00 N ATOM 1599 CA ALA A 104 14.233 -4.003 -3.952 1.00 0.00 C ATOM 1600 C ALA A 104 15.221 -3.073 -4.648 1.00 0.00 C ATOM 1601 O ALA A 104 15.036 -1.856 -4.680 1.00 0.00 O ATOM 1602 CB ALA A 104 14.886 -4.608 -2.719 1.00 0.00 C ATOM 0 H ALA A 104 13.886 -6.007 -4.462 1.00 0.00 H new ATOM 0 HA ALA A 104 13.367 -3.406 -3.665 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.242 -3.810 -2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.158 -5.216 -2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.727 -5.232 -3.022 1.00 0.00 H new ATOM 1608 N VAL A 105 16.269 -3.662 -5.203 1.00 0.00 N ATOM 1609 CA VAL A 105 17.325 -2.912 -5.875 1.00 0.00 C ATOM 1610 C VAL A 105 16.800 -2.077 -7.043 1.00 0.00 C ATOM 1611 O VAL A 105 16.923 -0.855 -7.042 1.00 0.00 O ATOM 1612 CB VAL A 105 18.432 -3.849 -6.394 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.547 -3.049 -7.051 1.00 0.00 C ATOM 1614 CG2 VAL A 105 18.977 -4.708 -5.264 1.00 0.00 C ATOM 0 H VAL A 105 16.414 -4.672 -5.202 1.00 0.00 H new ATOM 0 HA VAL A 105 17.734 -2.236 -5.124 1.00 0.00 H new ATOM 0 HB VAL A 105 18.000 -4.509 -7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.319 -3.729 -7.411 1.00 0.00 H new ATOM 0 HG12 VAL A 105 19.143 -2.482 -7.890 1.00 0.00 H new ATOM 0 HG13 VAL A 105 19.979 -2.362 -6.324 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.758 -5.364 -5.649 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.393 -4.066 -4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 105 18.172 -5.311 -4.844 1.00 0.00 H new ATOM 1624 N ASN A 106 16.228 -2.743 -8.040 1.00 0.00 N ATOM 1625 CA ASN A 106 15.712 -2.056 -9.222 1.00 0.00 C ATOM 1626 C ASN A 106 14.692 -0.980 -8.857 1.00 0.00 C ATOM 1627 O ASN A 106 14.658 0.085 -9.474 1.00 0.00 O ATOM 1628 CB ASN A 106 15.078 -3.063 -10.184 1.00 0.00 C ATOM 1629 CG ASN A 106 14.629 -2.422 -11.483 1.00 0.00 C ATOM 1630 OD1 ASN A 106 13.503 -1.936 -11.591 1.00 0.00 O ATOM 1631 ND2 ASN A 106 15.508 -2.423 -12.479 1.00 0.00 N ATOM 0 H ASN A 106 16.109 -3.756 -8.055 1.00 0.00 H new ATOM 0 HA ASN A 106 16.556 -1.566 -9.707 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.796 -3.854 -10.402 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.222 -3.534 -9.700 1.00 0.00 H new ATOM 0 HD21 ASN A 106 15.261 -2.010 -13.378 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.430 -2.837 -12.345 1.00 0.00 H new ATOM 1638 N TYR A 107 13.861 -1.261 -7.858 1.00 0.00 N ATOM 1639 CA TYR A 107 12.836 -0.325 -7.432 1.00 0.00 C ATOM 1640 C TYR A 107 13.437 1.014 -6.995 1.00 0.00 C ATOM 1641 O TYR A 107 12.790 2.053 -7.107 1.00 0.00 O ATOM 1642 CB TYR A 107 12.015 -0.945 -6.304 1.00 0.00 C ATOM 1643 CG TYR A 107 11.272 0.067 -5.477 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.254 0.838 -6.019 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.614 0.262 -4.156 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.594 1.778 -5.256 1.00 0.00 C ATOM 1647 CE2 TYR A 107 10.966 1.201 -3.382 1.00 0.00 C ATOM 1648 CZ TYR A 107 9.955 1.958 -3.937 1.00 0.00 C ATOM 1649 OH TYR A 107 9.309 2.903 -3.175 1.00 0.00 O ATOM 0 H TYR A 107 13.881 -2.133 -7.329 1.00 0.00 H new ATOM 0 HA TYR A 107 12.184 -0.120 -8.281 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.301 -1.649 -6.730 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.678 -1.517 -5.655 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.974 0.700 -7.053 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.404 -0.331 -3.719 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.800 2.369 -5.688 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.248 1.343 -2.349 1.00 0.00 H new ATOM 0 HH TYR A 107 9.844 3.103 -2.379 1.00 0.00 H new ATOM 1659 N LEU A 108 14.670 0.982 -6.490 1.00 0.00 N ATOM 1660 CA LEU A 108 15.348 2.198 -6.032 1.00 0.00 C ATOM 1661 C LEU A 108 15.323 3.297 -7.095 1.00 0.00 C ATOM 1662 O LEU A 108 15.335 4.484 -6.770 1.00 0.00 O ATOM 1663 CB LEU A 108 16.798 1.890 -5.650 1.00 0.00 C ATOM 1664 CG LEU A 108 17.146 2.105 -4.176 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.596 1.728 -3.913 1.00 0.00 C ATOM 1666 CD2 LEU A 108 16.888 3.548 -3.769 1.00 0.00 C ATOM 0 H LEU A 108 15.220 0.129 -6.387 1.00 0.00 H new ATOM 0 HA LEU A 108 14.807 2.558 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.012 0.853 -5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.456 2.513 -6.256 1.00 0.00 H new ATOM 0 HG LEU A 108 16.506 1.460 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.828 1.887 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.751 0.679 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.250 2.348 -4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.142 3.680 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.502 4.213 -4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.835 3.786 -3.921 1.00 0.00 H new ATOM 1678 N GLU A 109 15.285 2.896 -8.361 1.00 0.00 N ATOM 1679 CA GLU A 109 15.267 3.850 -9.469 1.00 0.00 C ATOM 1680 C GLU A 109 13.898 4.508 -9.624 1.00 0.00 C ATOM 1681 O GLU A 109 13.662 5.245 -10.583 1.00 0.00 O ATOM 1682 CB GLU A 109 15.659 3.156 -10.774 1.00 0.00 C ATOM 1683 CG GLU A 109 17.110 2.703 -10.809 1.00 0.00 C ATOM 1684 CD GLU A 109 18.086 3.861 -10.735 1.00 0.00 C ATOM 1685 OE1 GLU A 109 18.373 4.463 -11.791 1.00 0.00 O ATOM 1686 OE2 GLU A 109 18.565 4.164 -9.623 1.00 0.00 O ATOM 0 H GLU A 109 15.266 1.917 -8.648 1.00 0.00 H new ATOM 0 HA GLU A 109 15.993 4.631 -9.241 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.013 2.291 -10.924 1.00 0.00 H new ATOM 0 HB3 GLU A 109 15.479 3.837 -11.606 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.295 2.024 -9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.289 2.140 -11.725 1.00 0.00 H new ATOM 1693 N THR A 110 12.999 4.241 -8.683 1.00 0.00 N ATOM 1694 CA THR A 110 11.655 4.806 -8.730 1.00 0.00 C ATOM 1695 C THR A 110 11.522 6.009 -7.800 1.00 0.00 C ATOM 1696 O THR A 110 11.240 7.120 -8.247 1.00 0.00 O ATOM 1697 CB THR A 110 10.593 3.758 -8.351 1.00 0.00 C ATOM 1698 OG1 THR A 110 10.801 2.556 -9.103 1.00 0.00 O ATOM 1699 CG2 THR A 110 9.193 4.288 -8.620 1.00 0.00 C ATOM 0 H THR A 110 13.176 3.638 -7.880 1.00 0.00 H new ATOM 0 HA THR A 110 11.488 5.130 -9.757 1.00 0.00 H new ATOM 0 HB THR A 110 10.689 3.544 -7.287 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.512 2.027 -8.684 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.458 3.531 -8.345 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.025 5.188 -8.029 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.091 4.525 -9.679 1.00 0.00 H new ATOM 1707 N HIS A 111 11.727 5.782 -6.506 1.00 0.00 N ATOM 1708 CA HIS A 111 11.623 6.851 -5.518 1.00 0.00 C ATOM 1709 C HIS A 111 12.953 7.587 -5.368 1.00 0.00 C ATOM 1710 O HIS A 111 14.004 6.913 -5.358 1.00 0.00 O ATOM 1711 CB HIS A 111 11.169 6.290 -4.163 1.00 0.00 C ATOM 1712 CG HIS A 111 12.216 5.484 -3.459 1.00 0.00 C ATOM 1713 ND1 HIS A 111 12.422 4.141 -3.700 1.00 0.00 N ATOM 1714 CD2 HIS A 111 13.120 5.837 -2.515 1.00 0.00 C ATOM 1715 CE1 HIS A 111 13.406 3.704 -2.933 1.00 0.00 C ATOM 1716 NE2 HIS A 111 13.846 4.714 -2.206 1.00 0.00 N ATOM 1717 OXT HIS A 111 12.930 8.830 -5.259 1.00 0.00 O ATOM 0 H HIS A 111 11.966 4.870 -6.118 1.00 0.00 H new ATOM 0 HA HIS A 111 10.876 7.563 -5.869 1.00 0.00 H new ATOM 0 HB2 HIS A 111 10.868 7.118 -3.520 1.00 0.00 H new ATOM 0 HB3 HIS A 111 10.287 5.668 -4.315 1.00 0.00 H new ATOM 0 HD1 HIS A 111 11.897 3.574 -4.366 1.00 0.00 H new ATOM 0 HD2 HIS A 111 13.246 6.820 -2.085 1.00 0.00 H new ATOM 0 HE1 HIS A 111 13.785 2.693 -2.906 1.00 0.00 H new