USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=14 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 :FLIP amide:sc= -0.613 F(o=-8!,f=-1.4) USER MOD Set 1.2: A 79 GLN :FLIP amide:sc= -0.813 F(o=-4.1!,f=-1.4) USER MOD Single : A 30 SER OG : rot 76:sc= 0.725 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.69! C(o=-1.7!,f=-3.9!) USER MOD Single : A 50 GLN : amide:sc= -3.65! C(o=-3.7!,f=-4!) USER MOD Single : A 60 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0736) USER MOD Single : A 66 SER OG : rot 104:sc= 1.2 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 76:sc= 0.0198 USER MOD Single : A 89 MET CE :methyl -160:sc= -3.55! (180deg=-4.39!) USER MOD Single : A 91 LYS NZ :NH3+ 170:sc= -0.0193 (180deg=-0.189) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.477 USER MOD Single : A 97 THR OG1 : rot 74:sc= 0.348 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.49) USER MOD Single : A 107 TYR OH : rot -130:sc= -2.84! USER MOD Single : A 110 THR OG1 : rot 79:sc= 0.189 USER MOD Single : A 111 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 347 N ALA A 23 -12.042 0.173 5.733 1.00 0.00 N ATOM 348 CA ALA A 23 -11.912 -1.274 5.602 1.00 0.00 C ATOM 349 C ALA A 23 -10.446 -1.680 5.475 1.00 0.00 C ATOM 350 O ALA A 23 -10.132 -2.782 5.025 1.00 0.00 O ATOM 351 CB ALA A 23 -12.719 -1.790 4.420 1.00 0.00 C ATOM 0 HA ALA A 23 -12.313 -1.729 6.508 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.604 -2.871 4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.772 -1.546 4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.360 -1.323 3.503 1.00 0.00 H new ATOM 357 N PHE A 24 -9.554 -0.774 5.864 1.00 0.00 N ATOM 358 CA PHE A 24 -8.124 -1.028 5.810 1.00 0.00 C ATOM 359 C PHE A 24 -7.772 -2.331 6.523 1.00 0.00 C ATOM 360 O PHE A 24 -7.047 -3.170 5.987 1.00 0.00 O ATOM 361 CB PHE A 24 -7.374 0.133 6.461 1.00 0.00 C ATOM 362 CG PHE A 24 -5.973 0.320 5.954 1.00 0.00 C ATOM 363 CD1 PHE A 24 -5.219 -0.757 5.508 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.405 1.580 5.929 1.00 0.00 C ATOM 365 CE1 PHE A 24 -3.935 -0.579 5.051 1.00 0.00 C ATOM 366 CE2 PHE A 24 -4.120 1.764 5.472 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.382 0.682 5.031 1.00 0.00 C ATOM 0 H PHE A 24 -9.802 0.148 6.222 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.829 -1.119 4.765 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.935 1.053 6.294 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.340 -0.029 7.538 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.647 -1.748 5.520 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.976 2.430 6.272 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.361 -1.427 4.708 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.688 2.754 5.458 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.374 0.825 4.671 1.00 0.00 H new ATOM 377 N GLU A 25 -8.294 -2.496 7.730 1.00 0.00 N ATOM 378 CA GLU A 25 -8.019 -3.689 8.522 1.00 0.00 C ATOM 379 C GLU A 25 -8.522 -4.970 7.848 1.00 0.00 C ATOM 380 O GLU A 25 -7.739 -5.889 7.634 1.00 0.00 O ATOM 381 CB GLU A 25 -8.641 -3.576 9.904 1.00 0.00 C ATOM 382 CG GLU A 25 -7.633 -3.320 11.013 1.00 0.00 C ATOM 383 CD GLU A 25 -8.286 -3.184 12.374 1.00 0.00 C ATOM 384 OE1 GLU A 25 -8.746 -2.071 12.703 1.00 0.00 O ATOM 385 OE2 GLU A 25 -8.336 -4.191 13.111 1.00 0.00 O ATOM 0 H GLU A 25 -8.910 -1.821 8.183 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.934 -3.755 8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.373 -2.768 9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.183 -4.496 10.124 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.912 -4.137 11.040 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.075 -2.411 10.789 1.00 0.00 H new ATOM 392 N PRO A 26 -9.837 -5.071 7.519 1.00 0.00 N ATOM 393 CA PRO A 26 -10.388 -6.270 6.877 1.00 0.00 C ATOM 394 C PRO A 26 -9.572 -6.675 5.659 1.00 0.00 C ATOM 395 O PRO A 26 -9.638 -7.812 5.194 1.00 0.00 O ATOM 396 CB PRO A 26 -11.810 -5.873 6.457 1.00 0.00 C ATOM 397 CG PRO A 26 -11.957 -4.418 6.768 1.00 0.00 C ATOM 398 CD PRO A 26 -10.869 -4.048 7.740 1.00 0.00 C ATOM 0 HA PRO A 26 -10.373 -7.127 7.551 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.967 -6.060 5.395 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.552 -6.461 6.997 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.877 -3.822 5.859 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.938 -4.215 7.197 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.486 -3.046 7.549 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.230 -4.060 8.768 1.00 0.00 H new ATOM 406 N LEU A 27 -8.801 -5.723 5.155 1.00 0.00 N ATOM 407 CA LEU A 27 -7.949 -5.937 4.007 1.00 0.00 C ATOM 408 C LEU A 27 -6.653 -6.613 4.447 1.00 0.00 C ATOM 409 O LEU A 27 -6.134 -7.502 3.772 1.00 0.00 O ATOM 410 CB LEU A 27 -7.675 -4.581 3.358 1.00 0.00 C ATOM 411 CG LEU A 27 -6.280 -4.395 2.769 1.00 0.00 C ATOM 412 CD1 LEU A 27 -6.087 -5.280 1.547 1.00 0.00 C ATOM 413 CD2 LEU A 27 -6.042 -2.933 2.419 1.00 0.00 C ATOM 0 H LEU A 27 -8.752 -4.778 5.536 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.433 -6.591 3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.407 -4.424 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.841 -3.803 4.103 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.548 -4.693 3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.085 -5.130 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.212 -6.325 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.826 -5.020 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.042 -2.817 2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.782 -2.609 1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.131 -2.324 3.319 1.00 0.00 H new ATOM 425 N LEU A 28 -6.145 -6.175 5.593 1.00 0.00 N ATOM 426 CA LEU A 28 -4.922 -6.723 6.168 1.00 0.00 C ATOM 427 C LEU A 28 -5.217 -8.034 6.894 1.00 0.00 C ATOM 428 O LEU A 28 -4.329 -8.864 7.091 1.00 0.00 O ATOM 429 CB LEU A 28 -4.305 -5.701 7.132 1.00 0.00 C ATOM 430 CG LEU A 28 -3.366 -6.269 8.202 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.105 -6.841 7.570 1.00 0.00 C ATOM 432 CD2 LEU A 28 -3.014 -5.196 9.220 1.00 0.00 C ATOM 0 H LEU A 28 -6.568 -5.432 6.149 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.212 -6.930 5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.754 -4.966 6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.114 -5.169 7.632 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.884 -7.079 8.715 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.455 -7.238 8.350 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.374 -7.641 6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.581 -6.054 7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.347 -5.614 9.974 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.518 -4.366 8.717 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.924 -4.838 9.700 1.00 0.00 H new ATOM 444 N GLU A 29 -6.475 -8.214 7.281 1.00 0.00 N ATOM 445 CA GLU A 29 -6.897 -9.416 7.987 1.00 0.00 C ATOM 446 C GLU A 29 -6.966 -10.604 7.032 1.00 0.00 C ATOM 447 O GLU A 29 -6.679 -11.739 7.413 1.00 0.00 O ATOM 448 CB GLU A 29 -8.260 -9.192 8.646 1.00 0.00 C ATOM 449 CG GLU A 29 -8.736 -10.372 9.478 1.00 0.00 C ATOM 450 CD GLU A 29 -10.011 -10.074 10.242 1.00 0.00 C ATOM 451 OE1 GLU A 29 -11.103 -10.195 9.648 1.00 0.00 O ATOM 452 OE2 GLU A 29 -9.917 -9.721 11.437 1.00 0.00 O ATOM 0 H GLU A 29 -7.222 -7.539 7.116 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.162 -9.636 8.761 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.206 -8.308 9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.998 -8.983 7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.901 -11.229 8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.953 -10.654 10.182 1.00 0.00 H new ATOM 459 N SER A 30 -7.354 -10.328 5.789 1.00 0.00 N ATOM 460 CA SER A 30 -7.464 -11.364 4.768 1.00 0.00 C ATOM 461 C SER A 30 -6.096 -11.944 4.424 1.00 0.00 C ATOM 462 O SER A 30 -5.998 -13.018 3.833 1.00 0.00 O ATOM 463 CB SER A 30 -8.126 -10.800 3.511 1.00 0.00 C ATOM 464 OG SER A 30 -9.439 -10.342 3.787 1.00 0.00 O ATOM 0 H SER A 30 -7.598 -9.392 5.465 1.00 0.00 H new ATOM 0 HA SER A 30 -8.083 -12.167 5.168 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.526 -9.979 3.118 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.160 -11.568 2.739 1.00 0.00 H new ATOM 0 HG SER A 30 -9.394 -9.486 4.263 1.00 0.00 H new ATOM 470 N LEU A 31 -5.041 -11.223 4.796 1.00 0.00 N ATOM 471 CA LEU A 31 -3.678 -11.667 4.527 1.00 0.00 C ATOM 472 C LEU A 31 -3.335 -12.902 5.356 1.00 0.00 C ATOM 473 O LEU A 31 -2.275 -13.503 5.181 1.00 0.00 O ATOM 474 CB LEU A 31 -2.682 -10.543 4.823 1.00 0.00 C ATOM 475 CG LEU A 31 -2.626 -9.431 3.771 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.857 -8.233 4.303 1.00 0.00 C ATOM 477 CD2 LEU A 31 -1.991 -9.943 2.486 1.00 0.00 C ATOM 0 H LEU A 31 -5.105 -10.330 5.284 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.610 -11.930 3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.935 -10.099 5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.687 -10.977 4.924 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.646 -9.116 3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.827 -7.453 3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.351 -7.851 5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.840 -8.535 4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.960 -9.139 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.977 -10.286 2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.581 -10.771 2.094 1.00 0.00 H new ATOM 489 N SER A 32 -4.241 -13.276 6.255 1.00 0.00 N ATOM 490 CA SER A 32 -4.037 -14.435 7.114 1.00 0.00 C ATOM 491 C SER A 32 -4.858 -15.623 6.623 1.00 0.00 C ATOM 492 O SER A 32 -4.987 -16.631 7.316 1.00 0.00 O ATOM 493 CB SER A 32 -4.418 -14.098 8.557 1.00 0.00 C ATOM 494 OG SER A 32 -3.648 -13.015 9.050 1.00 0.00 O ATOM 0 H SER A 32 -5.125 -12.791 6.407 1.00 0.00 H new ATOM 0 HA SER A 32 -2.981 -14.705 7.078 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.478 -13.847 8.607 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.267 -14.973 9.190 1.00 0.00 H new ATOM 0 HG SER A 32 -3.912 -12.819 9.973 1.00 0.00 H new ATOM 500 N ASN A 33 -5.408 -15.494 5.420 1.00 0.00 N ATOM 501 CA ASN A 33 -6.219 -16.553 4.831 1.00 0.00 C ATOM 502 C ASN A 33 -5.350 -17.740 4.426 1.00 0.00 C ATOM 503 O ASN A 33 -4.230 -17.567 3.944 1.00 0.00 O ATOM 504 CB ASN A 33 -6.984 -16.024 3.618 1.00 0.00 C ATOM 505 CG ASN A 33 -8.042 -16.995 3.130 1.00 0.00 C ATOM 506 OD1 ASN A 33 -8.328 -17.072 1.936 1.00 0.00 O ATOM 507 ND2 ASN A 33 -8.635 -17.739 4.058 1.00 0.00 N ATOM 0 H ASN A 33 -5.307 -14.666 4.834 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.935 -16.890 5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.457 -15.076 3.876 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.281 -15.821 2.810 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.359 -18.407 3.791 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.367 -17.642 5.037 1.00 0.00 H new ATOM 514 N GLU A 34 -5.880 -18.943 4.623 1.00 0.00 N ATOM 515 CA GLU A 34 -5.160 -20.167 4.286 1.00 0.00 C ATOM 516 C GLU A 34 -4.807 -20.213 2.803 1.00 0.00 C ATOM 517 O GLU A 34 -3.758 -20.735 2.422 1.00 0.00 O ATOM 518 CB GLU A 34 -6.000 -21.389 4.659 1.00 0.00 C ATOM 519 CG GLU A 34 -6.372 -21.443 6.131 1.00 0.00 C ATOM 520 CD GLU A 34 -7.347 -22.560 6.448 1.00 0.00 C ATOM 521 OE1 GLU A 34 -8.570 -22.331 6.334 1.00 0.00 O ATOM 522 OE2 GLU A 34 -6.888 -23.663 6.812 1.00 0.00 O ATOM 0 H GLU A 34 -6.809 -19.097 5.016 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.231 -20.178 4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.912 -21.389 4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.448 -22.292 4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.468 -21.576 6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.810 -20.489 6.426 1.00 0.00 H new ATOM 529 N ASP A 35 -5.687 -19.668 1.968 1.00 0.00 N ATOM 530 CA ASP A 35 -5.464 -19.650 0.526 1.00 0.00 C ATOM 531 C ASP A 35 -4.538 -18.504 0.131 1.00 0.00 C ATOM 532 O ASP A 35 -4.583 -17.425 0.722 1.00 0.00 O ATOM 533 CB ASP A 35 -6.795 -19.522 -0.218 1.00 0.00 C ATOM 534 CG ASP A 35 -7.765 -20.634 0.133 1.00 0.00 C ATOM 535 OD1 ASP A 35 -7.697 -21.704 -0.506 1.00 0.00 O ATOM 536 OD2 ASP A 35 -8.595 -20.432 1.045 1.00 0.00 O ATOM 0 H ASP A 35 -6.561 -19.233 2.265 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.989 -20.591 0.248 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.249 -18.560 0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.610 -19.531 -1.292 1.00 0.00 H new ATOM 541 N TRP A 36 -3.697 -18.744 -0.870 1.00 0.00 N ATOM 542 CA TRP A 36 -2.762 -17.728 -1.343 1.00 0.00 C ATOM 543 C TRP A 36 -3.408 -16.841 -2.403 1.00 0.00 C ATOM 544 O TRP A 36 -3.102 -15.653 -2.498 1.00 0.00 O ATOM 545 CB TRP A 36 -1.495 -18.380 -1.900 1.00 0.00 C ATOM 546 CG TRP A 36 -1.763 -19.591 -2.741 1.00 0.00 C ATOM 547 CD1 TRP A 36 -2.137 -19.612 -4.053 1.00 0.00 C ATOM 548 CD2 TRP A 36 -1.677 -20.958 -2.325 1.00 0.00 C ATOM 549 NE1 TRP A 36 -2.288 -20.910 -4.478 1.00 0.00 N ATOM 550 CE2 TRP A 36 -2.011 -21.754 -3.436 1.00 0.00 C ATOM 551 CE3 TRP A 36 -1.348 -21.588 -1.121 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -2.027 -23.144 -3.380 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -1.365 -22.969 -1.067 1.00 0.00 C ATOM 554 CH2 TRP A 36 -1.702 -23.733 -2.191 1.00 0.00 C ATOM 0 H TRP A 36 -3.643 -19.632 -1.369 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.489 -17.102 -0.493 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.951 -17.647 -2.496 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.846 -18.661 -1.070 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.292 -18.737 -4.667 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.562 -21.198 -5.417 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.086 -21.007 -0.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.287 -23.736 -4.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.114 -23.467 -0.142 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.705 -24.810 -2.116 1.00 0.00 H new ATOM 565 N ARG A 37 -4.304 -17.424 -3.194 1.00 0.00 N ATOM 566 CA ARG A 37 -4.999 -16.679 -4.239 1.00 0.00 C ATOM 567 C ARG A 37 -5.769 -15.508 -3.637 1.00 0.00 C ATOM 568 O ARG A 37 -5.867 -14.439 -4.240 1.00 0.00 O ATOM 569 CB ARG A 37 -5.955 -17.597 -5.007 1.00 0.00 C ATOM 570 CG ARG A 37 -5.247 -18.633 -5.866 1.00 0.00 C ATOM 571 CD ARG A 37 -4.542 -17.986 -7.048 1.00 0.00 C ATOM 572 NE ARG A 37 -5.485 -17.351 -7.965 1.00 0.00 N ATOM 573 CZ ARG A 37 -5.173 -16.970 -9.200 1.00 0.00 C ATOM 574 NH1 ARG A 37 -3.943 -17.147 -9.664 1.00 0.00 N ATOM 575 NH2 ARG A 37 -6.094 -16.412 -9.974 1.00 0.00 N ATOM 0 H ARG A 37 -4.566 -18.408 -3.132 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.255 -16.289 -4.934 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.603 -18.109 -4.296 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.598 -16.988 -5.643 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.521 -19.176 -5.260 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.970 -19.364 -6.227 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.833 -17.242 -6.685 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.966 -18.740 -7.584 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.438 -17.191 -7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.232 -17.577 -9.073 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.708 -16.853 -10.612 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.041 -16.275 -9.622 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.855 -16.120 -10.921 1.00 0.00 H new ATOM 589 N ILE A 38 -6.310 -15.720 -2.442 1.00 0.00 N ATOM 590 CA ILE A 38 -7.061 -14.683 -1.746 1.00 0.00 C ATOM 591 C ILE A 38 -6.114 -13.716 -1.049 1.00 0.00 C ATOM 592 O ILE A 38 -6.320 -12.503 -1.066 1.00 0.00 O ATOM 593 CB ILE A 38 -8.021 -15.283 -0.700 1.00 0.00 C ATOM 594 CG1 ILE A 38 -8.921 -16.344 -1.341 1.00 0.00 C ATOM 595 CG2 ILE A 38 -8.856 -14.185 -0.056 1.00 0.00 C ATOM 596 CD1 ILE A 38 -9.830 -15.804 -2.426 1.00 0.00 C ATOM 0 H ILE A 38 -6.242 -16.602 -1.935 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.647 -14.153 -2.496 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.429 -15.765 0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.295 -17.130 -1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.532 -16.805 -0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.529 -14.624 0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.198 -13.469 0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.440 -13.675 -0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.435 -16.615 -2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.483 -15.039 -2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.227 -15.369 -3.223 1.00 0.00 H new ATOM 608 N ARG A 39 -5.071 -14.268 -0.438 1.00 0.00 N ATOM 609 CA ARG A 39 -4.081 -13.466 0.267 1.00 0.00 C ATOM 610 C ARG A 39 -3.356 -12.535 -0.700 1.00 0.00 C ATOM 611 O ARG A 39 -2.762 -11.538 -0.291 1.00 0.00 O ATOM 612 CB ARG A 39 -3.073 -14.378 0.971 1.00 0.00 C ATOM 613 CG ARG A 39 -2.086 -13.633 1.855 1.00 0.00 C ATOM 614 CD ARG A 39 -0.957 -14.539 2.322 1.00 0.00 C ATOM 615 NE ARG A 39 -1.451 -15.694 3.069 1.00 0.00 N ATOM 616 CZ ARG A 39 -0.659 -16.576 3.672 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.658 -16.432 3.624 1.00 0.00 N ATOM 618 NH2 ARG A 39 -1.184 -17.606 4.325 1.00 0.00 N ATOM 0 H ARG A 39 -4.890 -15.272 -0.418 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.595 -12.859 1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.615 -15.103 1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.520 -14.942 0.219 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.671 -12.788 1.306 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.608 -13.226 2.721 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.388 -14.883 1.458 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.271 -13.969 2.949 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.460 -15.831 3.131 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.067 -15.643 3.123 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.262 -17.110 4.088 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.197 -17.722 4.365 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.575 -18.281 4.787 1.00 0.00 H new ATOM 632 N GLY A 40 -3.412 -12.871 -1.986 1.00 0.00 N ATOM 633 CA GLY A 40 -2.757 -12.061 -2.996 1.00 0.00 C ATOM 634 C GLY A 40 -3.433 -10.719 -3.199 1.00 0.00 C ATOM 635 O GLY A 40 -2.833 -9.675 -2.949 1.00 0.00 O ATOM 0 H GLY A 40 -3.900 -13.691 -2.346 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.718 -11.900 -2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.746 -12.604 -3.941 1.00 0.00 H new ATOM 639 N ALA A 41 -4.688 -10.752 -3.645 1.00 0.00 N ATOM 640 CA ALA A 41 -5.456 -9.535 -3.892 1.00 0.00 C ATOM 641 C ALA A 41 -5.312 -8.542 -2.743 1.00 0.00 C ATOM 642 O ALA A 41 -5.335 -7.329 -2.955 1.00 0.00 O ATOM 643 CB ALA A 41 -6.919 -9.874 -4.120 1.00 0.00 C ATOM 0 H ALA A 41 -5.196 -11.614 -3.843 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.057 -9.063 -4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.481 -8.958 -4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.009 -10.534 -4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.318 -10.374 -3.238 1.00 0.00 H new ATOM 649 N ALA A 42 -5.170 -9.062 -1.528 1.00 0.00 N ATOM 650 CA ALA A 42 -5.003 -8.212 -0.356 1.00 0.00 C ATOM 651 C ALA A 42 -3.739 -7.371 -0.495 1.00 0.00 C ATOM 652 O ALA A 42 -3.776 -6.150 -0.366 1.00 0.00 O ATOM 653 CB ALA A 42 -4.952 -9.055 0.909 1.00 0.00 C ATOM 0 H ALA A 42 -5.167 -10.063 -1.330 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.859 -7.541 -0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.827 -8.405 1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.880 -9.618 1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.112 -9.748 0.851 1.00 0.00 H new ATOM 659 N ALA A 43 -2.624 -8.043 -0.766 1.00 0.00 N ATOM 660 CA ALA A 43 -1.340 -7.374 -0.947 1.00 0.00 C ATOM 661 C ALA A 43 -1.371 -6.469 -2.173 1.00 0.00 C ATOM 662 O ALA A 43 -0.668 -5.460 -2.237 1.00 0.00 O ATOM 663 CB ALA A 43 -0.244 -8.410 -1.108 1.00 0.00 C ATOM 0 H ALA A 43 -2.584 -9.057 -0.866 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.141 -6.761 -0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.714 -7.908 -1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.203 -9.037 -0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.455 -9.030 -1.979 1.00 0.00 H new ATOM 669 N TRP A 44 -2.198 -6.845 -3.142 1.00 0.00 N ATOM 670 CA TRP A 44 -2.329 -6.100 -4.389 1.00 0.00 C ATOM 671 C TRP A 44 -2.952 -4.721 -4.173 1.00 0.00 C ATOM 672 O TRP A 44 -2.570 -3.752 -4.830 1.00 0.00 O ATOM 673 CB TRP A 44 -3.167 -6.901 -5.389 1.00 0.00 C ATOM 674 CG TRP A 44 -2.361 -7.886 -6.180 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.728 -8.996 -5.703 1.00 0.00 C ATOM 676 CD2 TRP A 44 -2.102 -7.850 -7.588 1.00 0.00 C ATOM 677 NE1 TRP A 44 -1.082 -9.647 -6.726 1.00 0.00 N ATOM 678 CE2 TRP A 44 -1.299 -8.965 -7.893 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.470 -6.983 -8.621 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.856 -9.236 -9.185 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -2.031 -7.253 -9.904 1.00 0.00 C ATOM 682 CH2 TRP A 44 -1.232 -8.371 -10.176 1.00 0.00 C ATOM 0 H TRP A 44 -2.794 -7.671 -3.086 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.326 -5.947 -4.787 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.952 -7.432 -4.851 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.660 -6.212 -6.074 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.734 -9.316 -4.672 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.530 -10.500 -6.631 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.086 -6.119 -8.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.239 -10.097 -9.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.309 -6.591 -10.710 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.906 -8.554 -11.189 1.00 0.00 H new ATOM 693 N ILE A 45 -3.908 -4.633 -3.252 1.00 0.00 N ATOM 694 CA ILE A 45 -4.592 -3.372 -2.982 1.00 0.00 C ATOM 695 C ILE A 45 -4.029 -2.667 -1.752 1.00 0.00 C ATOM 696 O ILE A 45 -4.171 -1.454 -1.602 1.00 0.00 O ATOM 697 CB ILE A 45 -6.107 -3.594 -2.778 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.696 -4.393 -3.946 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.829 -2.263 -2.620 1.00 0.00 C ATOM 700 CD1 ILE A 45 -6.522 -3.727 -5.297 1.00 0.00 C ATOM 0 H ILE A 45 -4.226 -5.417 -2.682 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.426 -2.740 -3.855 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.249 -4.169 -1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.227 -5.376 -3.974 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.759 -4.552 -3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.895 -2.442 -2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.431 -1.734 -1.754 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.679 -1.659 -3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.965 -4.354 -6.071 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.016 -2.755 -5.290 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.460 -3.592 -5.502 1.00 0.00 H new ATOM 712 N ILE A 46 -3.388 -3.428 -0.875 1.00 0.00 N ATOM 713 CA ILE A 46 -2.833 -2.873 0.352 1.00 0.00 C ATOM 714 C ILE A 46 -1.772 -1.805 0.077 1.00 0.00 C ATOM 715 O ILE A 46 -1.714 -0.790 0.769 1.00 0.00 O ATOM 716 CB ILE A 46 -2.257 -3.983 1.261 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.448 -3.604 2.728 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.788 -4.244 0.958 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.293 -4.771 3.680 1.00 0.00 C ATOM 0 H ILE A 46 -3.240 -4.431 -0.990 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.658 -2.390 0.875 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.800 -4.906 1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.726 -2.832 2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.440 -3.170 2.857 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.415 -5.030 1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.681 -4.558 -0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.215 -3.331 1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.442 -4.428 4.704 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.033 -5.535 3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.292 -5.192 3.580 1.00 0.00 H new ATOM 731 N GLY A 47 -0.943 -2.028 -0.942 1.00 0.00 N ATOM 732 CA GLY A 47 0.102 -1.073 -1.270 1.00 0.00 C ATOM 733 C GLY A 47 -0.436 0.277 -1.709 1.00 0.00 C ATOM 734 O GLY A 47 0.327 1.221 -1.903 1.00 0.00 O ATOM 0 H GLY A 47 -0.977 -2.851 -1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.745 -0.935 -0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.724 -1.484 -2.065 1.00 0.00 H new ATOM 738 N ASN A 48 -1.753 0.369 -1.867 1.00 0.00 N ATOM 739 CA ASN A 48 -2.389 1.611 -2.296 1.00 0.00 C ATOM 740 C ASN A 48 -2.342 2.681 -1.205 1.00 0.00 C ATOM 741 O ASN A 48 -1.947 3.819 -1.458 1.00 0.00 O ATOM 742 CB ASN A 48 -3.842 1.352 -2.701 1.00 0.00 C ATOM 743 CG ASN A 48 -3.966 0.545 -3.983 1.00 0.00 C ATOM 744 OD1 ASN A 48 -3.026 -0.366 -4.211 1.00 0.00 O flip ATOM 745 ND2 ASN A 48 -4.903 0.735 -4.756 1.00 0.00 N flip ATOM 0 H ASN A 48 -2.401 -0.402 -1.704 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.830 1.981 -3.155 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.349 0.823 -1.894 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.354 2.306 -2.828 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.604 1.445 -4.543 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.980 0.183 -5.610 1.00 0.00 H new ATOM 752 N PHE A 49 -2.750 2.312 0.009 1.00 0.00 N ATOM 753 CA PHE A 49 -2.776 3.249 1.132 1.00 0.00 C ATOM 754 C PHE A 49 -1.373 3.708 1.533 1.00 0.00 C ATOM 755 O PHE A 49 -1.205 4.798 2.079 1.00 0.00 O ATOM 756 CB PHE A 49 -3.478 2.610 2.328 1.00 0.00 C ATOM 757 CG PHE A 49 -4.935 2.325 2.088 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.327 1.271 1.276 1.00 0.00 C ATOM 759 CD2 PHE A 49 -5.914 3.112 2.673 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.664 1.011 1.052 1.00 0.00 C ATOM 761 CE2 PHE A 49 -7.252 2.856 2.453 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.628 1.805 1.641 1.00 0.00 C ATOM 0 H PHE A 49 -3.067 1.370 0.240 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.328 4.131 0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.971 1.679 2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.382 3.270 3.190 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.577 0.646 0.813 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.626 3.936 3.309 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.956 0.188 0.417 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.004 3.477 2.916 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.675 1.604 1.467 1.00 0.00 H new ATOM 772 N GLN A 50 -0.371 2.871 1.266 1.00 0.00 N ATOM 773 CA GLN A 50 1.020 3.195 1.597 1.00 0.00 C ATOM 774 C GLN A 50 1.203 3.394 3.098 1.00 0.00 C ATOM 775 O GLN A 50 2.207 3.952 3.542 1.00 0.00 O ATOM 776 CB GLN A 50 1.470 4.460 0.858 1.00 0.00 C ATOM 777 CG GLN A 50 0.831 4.628 -0.507 1.00 0.00 C ATOM 778 CD GLN A 50 1.546 5.647 -1.375 1.00 0.00 C ATOM 779 OE1 GLN A 50 1.557 5.535 -2.601 1.00 0.00 O ATOM 780 NE2 GLN A 50 2.145 6.652 -0.745 1.00 0.00 N ATOM 0 H GLN A 50 -0.495 1.962 0.821 1.00 0.00 H new ATOM 0 HA GLN A 50 1.634 2.352 1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.234 5.331 1.470 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.554 4.436 0.742 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.822 3.666 -1.019 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.208 4.932 -0.381 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.112 6.708 0.273 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.638 7.368 -1.279 1.00 0.00 H new ATOM 789 N ASP A 51 0.231 2.933 3.873 1.00 0.00 N ATOM 790 CA ASP A 51 0.287 3.066 5.327 1.00 0.00 C ATOM 791 C ASP A 51 1.102 1.932 5.951 1.00 0.00 C ATOM 792 O ASP A 51 1.626 1.073 5.243 1.00 0.00 O ATOM 793 CB ASP A 51 -1.126 3.091 5.911 1.00 0.00 C ATOM 794 CG ASP A 51 -1.163 3.610 7.335 1.00 0.00 C ATOM 795 OD1 ASP A 51 -0.868 4.806 7.540 1.00 0.00 O ATOM 796 OD2 ASP A 51 -1.488 2.819 8.246 1.00 0.00 O ATOM 0 H ASP A 51 -0.605 2.464 3.523 1.00 0.00 H new ATOM 0 HA ASP A 51 0.783 4.008 5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.762 3.716 5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.543 2.084 5.885 1.00 0.00 H new ATOM 801 N GLU A 52 1.199 1.936 7.280 1.00 0.00 N ATOM 802 CA GLU A 52 1.962 0.922 8.005 1.00 0.00 C ATOM 803 C GLU A 52 1.408 -0.487 7.784 1.00 0.00 C ATOM 804 O GLU A 52 2.174 -1.447 7.690 1.00 0.00 O ATOM 805 CB GLU A 52 1.987 1.242 9.502 1.00 0.00 C ATOM 806 CG GLU A 52 0.608 1.439 10.110 1.00 0.00 C ATOM 807 CD GLU A 52 0.663 1.700 11.603 1.00 0.00 C ATOM 808 OE1 GLU A 52 0.709 0.719 12.376 1.00 0.00 O ATOM 809 OE2 GLU A 52 0.660 2.884 11.999 1.00 0.00 O ATOM 0 H GLU A 52 0.756 2.634 7.878 1.00 0.00 H new ATOM 0 HA GLU A 52 2.978 0.943 7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.494 0.433 10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.577 2.145 9.661 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.113 2.275 9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.001 0.553 9.921 1.00 0.00 H new ATOM 816 N ARG A 53 0.084 -0.614 7.702 1.00 0.00 N ATOM 817 CA ARG A 53 -0.531 -1.926 7.499 1.00 0.00 C ATOM 818 C ARG A 53 -0.195 -2.476 6.117 1.00 0.00 C ATOM 819 O ARG A 53 -0.456 -3.643 5.826 1.00 0.00 O ATOM 820 CB ARG A 53 -2.059 -1.877 7.676 1.00 0.00 C ATOM 821 CG ARG A 53 -2.585 -0.598 8.306 1.00 0.00 C ATOM 822 CD ARG A 53 -4.008 -0.768 8.812 1.00 0.00 C ATOM 823 NE ARG A 53 -4.569 0.492 9.293 1.00 0.00 N ATOM 824 CZ ARG A 53 -5.500 0.573 10.240 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.958 -0.527 10.823 1.00 0.00 N ATOM 826 NH2 ARG A 53 -5.967 1.756 10.608 1.00 0.00 N ATOM 0 H ARG A 53 -0.575 0.162 7.772 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.120 -2.589 8.261 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.528 -2.005 6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.367 -2.722 8.291 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.937 -0.305 9.132 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.552 0.209 7.574 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.634 -1.162 8.011 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.022 -1.502 9.617 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.227 1.359 8.879 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.596 -1.440 10.546 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.672 -0.460 11.549 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.613 2.604 10.166 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.681 1.819 11.334 1.00 0.00 H new ATOM 840 N ALA A 54 0.382 -1.630 5.267 1.00 0.00 N ATOM 841 CA ALA A 54 0.742 -2.033 3.913 1.00 0.00 C ATOM 842 C ALA A 54 2.246 -2.220 3.774 1.00 0.00 C ATOM 843 O ALA A 54 2.731 -2.722 2.760 1.00 0.00 O ATOM 844 CB ALA A 54 0.246 -1.001 2.912 1.00 0.00 C ATOM 0 H ALA A 54 0.610 -0.662 5.493 1.00 0.00 H new ATOM 0 HA ALA A 54 0.264 -2.991 3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.520 -1.311 1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.838 -0.916 2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.700 -0.035 3.130 1.00 0.00 H new ATOM 850 N VAL A 55 2.978 -1.811 4.801 1.00 0.00 N ATOM 851 CA VAL A 55 4.430 -1.909 4.796 1.00 0.00 C ATOM 852 C VAL A 55 4.909 -3.307 5.184 1.00 0.00 C ATOM 853 O VAL A 55 5.764 -3.885 4.512 1.00 0.00 O ATOM 854 CB VAL A 55 5.051 -0.869 5.749 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.540 -1.107 5.912 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.782 0.540 5.243 1.00 0.00 C ATOM 0 H VAL A 55 2.587 -1.406 5.652 1.00 0.00 H new ATOM 0 HA VAL A 55 4.758 -1.708 3.776 1.00 0.00 H new ATOM 0 HB VAL A 55 4.584 -0.979 6.728 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.956 -0.361 6.589 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.706 -2.103 6.323 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.029 -1.029 4.941 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.227 1.263 5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.220 0.661 4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.706 0.707 5.187 1.00 0.00 H new ATOM 866 N GLU A 56 4.358 -3.845 6.267 1.00 0.00 N ATOM 867 CA GLU A 56 4.745 -5.173 6.737 1.00 0.00 C ATOM 868 C GLU A 56 4.474 -6.254 5.685 1.00 0.00 C ATOM 869 O GLU A 56 5.343 -7.082 5.419 1.00 0.00 O ATOM 870 CB GLU A 56 4.021 -5.524 8.036 1.00 0.00 C ATOM 871 CG GLU A 56 4.513 -6.818 8.662 1.00 0.00 C ATOM 872 CD GLU A 56 5.767 -6.625 9.491 1.00 0.00 C ATOM 873 OE1 GLU A 56 6.872 -6.647 8.909 1.00 0.00 O ATOM 874 OE2 GLU A 56 5.645 -6.453 10.721 1.00 0.00 O ATOM 0 H GLU A 56 3.645 -3.386 6.834 1.00 0.00 H new ATOM 0 HA GLU A 56 5.819 -5.142 6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.151 -4.710 8.749 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.952 -5.606 7.838 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.727 -7.235 9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.711 -7.546 7.875 1.00 0.00 H new ATOM 881 N PRO A 57 3.263 -6.278 5.082 1.00 0.00 N ATOM 882 CA PRO A 57 2.913 -7.277 4.066 1.00 0.00 C ATOM 883 C PRO A 57 4.036 -7.515 3.066 1.00 0.00 C ATOM 884 O PRO A 57 4.460 -8.649 2.859 1.00 0.00 O ATOM 885 CB PRO A 57 1.709 -6.648 3.374 1.00 0.00 C ATOM 886 CG PRO A 57 1.042 -5.857 4.443 1.00 0.00 C ATOM 887 CD PRO A 57 2.142 -5.349 5.338 1.00 0.00 C ATOM 0 HA PRO A 57 2.718 -8.256 4.503 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.015 -6.014 2.542 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.042 -7.408 2.967 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.473 -5.030 4.018 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.339 -6.474 5.002 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.411 -4.321 5.096 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.843 -5.362 6.386 1.00 0.00 H new ATOM 895 N LEU A 58 4.524 -6.436 2.465 1.00 0.00 N ATOM 896 CA LEU A 58 5.597 -6.522 1.478 1.00 0.00 C ATOM 897 C LEU A 58 6.811 -7.279 2.015 1.00 0.00 C ATOM 898 O LEU A 58 7.490 -7.981 1.266 1.00 0.00 O ATOM 899 CB LEU A 58 6.023 -5.119 1.036 1.00 0.00 C ATOM 900 CG LEU A 58 4.877 -4.150 0.734 1.00 0.00 C ATOM 901 CD1 LEU A 58 5.417 -2.840 0.185 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.887 -4.769 -0.241 1.00 0.00 C ATOM 0 H LEU A 58 4.193 -5.488 2.644 1.00 0.00 H new ATOM 0 HA LEU A 58 5.207 -7.076 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.648 -4.685 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.644 -5.210 0.145 1.00 0.00 H new ATOM 0 HG LEU A 58 4.352 -3.944 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.588 -2.164 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.081 -2.384 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.970 -3.031 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.082 -4.062 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.397 -5.010 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.472 -5.679 0.191 1.00 0.00 H new ATOM 914 N ILE A 59 7.083 -7.140 3.307 1.00 0.00 N ATOM 915 CA ILE A 59 8.233 -7.802 3.917 1.00 0.00 C ATOM 916 C ILE A 59 8.121 -9.327 3.854 1.00 0.00 C ATOM 917 O ILE A 59 8.960 -9.995 3.249 1.00 0.00 O ATOM 918 CB ILE A 59 8.406 -7.373 5.389 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.469 -5.844 5.503 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.655 -8.006 5.988 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.628 -5.217 4.753 1.00 0.00 C ATOM 0 H ILE A 59 6.527 -6.578 3.951 1.00 0.00 H new ATOM 0 HA ILE A 59 9.105 -7.493 3.340 1.00 0.00 H new ATOM 0 HB ILE A 59 7.540 -7.723 5.951 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.536 -5.423 5.127 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.541 -5.571 6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.760 -7.692 7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.569 -9.092 5.944 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.531 -7.688 5.422 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.603 -4.135 4.883 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.568 -5.607 5.143 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.548 -5.457 3.693 1.00 0.00 H new ATOM 933 N LYS A 60 7.084 -9.869 4.481 1.00 0.00 N ATOM 934 CA LYS A 60 6.871 -11.317 4.511 1.00 0.00 C ATOM 935 C LYS A 60 6.418 -11.869 3.159 1.00 0.00 C ATOM 936 O LYS A 60 6.526 -13.067 2.905 1.00 0.00 O ATOM 937 CB LYS A 60 5.842 -11.678 5.584 1.00 0.00 C ATOM 938 CG LYS A 60 4.476 -11.055 5.352 1.00 0.00 C ATOM 939 CD LYS A 60 3.359 -12.023 5.708 1.00 0.00 C ATOM 940 CE LYS A 60 1.994 -11.359 5.617 1.00 0.00 C ATOM 941 NZ LYS A 60 0.887 -12.315 5.903 1.00 0.00 N ATOM 0 H LYS A 60 6.375 -9.330 4.977 1.00 0.00 H new ATOM 0 HA LYS A 60 7.831 -11.774 4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.736 -12.762 5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.217 -11.359 6.557 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.380 -10.150 5.952 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.383 -10.757 4.308 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.392 -12.881 5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.513 -12.402 6.718 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.947 -10.529 6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.861 -10.939 4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.001 -11.789 6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.786 -12.977 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.103 -12.847 6.770 1.00 0.00 H new ATOM 955 N LEU A 61 5.910 -10.994 2.298 1.00 0.00 N ATOM 956 CA LEU A 61 5.409 -11.405 0.985 1.00 0.00 C ATOM 957 C LEU A 61 6.531 -11.655 -0.013 1.00 0.00 C ATOM 958 O LEU A 61 6.575 -12.702 -0.658 1.00 0.00 O ATOM 959 CB LEU A 61 4.459 -10.342 0.440 1.00 0.00 C ATOM 960 CG LEU A 61 2.978 -10.535 0.784 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.803 -11.128 2.177 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.247 -9.210 0.683 1.00 0.00 C ATOM 0 H LEU A 61 5.833 -9.994 2.483 1.00 0.00 H new ATOM 0 HA LEU A 61 4.879 -12.348 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.777 -9.370 0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.560 -10.312 -0.645 1.00 0.00 H new ATOM 0 HG LEU A 61 2.553 -11.237 0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.741 -11.252 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.298 -12.098 2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.245 -10.459 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.195 -9.355 0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.688 -8.497 1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.332 -8.824 -0.333 1.00 0.00 H new ATOM 974 N LEU A 62 7.433 -10.691 -0.142 1.00 0.00 N ATOM 975 CA LEU A 62 8.549 -10.815 -1.067 1.00 0.00 C ATOM 976 C LEU A 62 9.444 -11.975 -0.650 1.00 0.00 C ATOM 977 O LEU A 62 10.360 -12.366 -1.373 1.00 0.00 O ATOM 978 CB LEU A 62 9.335 -9.504 -1.121 1.00 0.00 C ATOM 979 CG LEU A 62 8.506 -8.282 -1.528 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.317 -7.006 -1.371 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.013 -8.425 -2.961 1.00 0.00 C ATOM 0 H LEU A 62 7.413 -9.816 0.382 1.00 0.00 H new ATOM 0 HA LEU A 62 8.167 -11.022 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.775 -9.319 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.160 -9.618 -1.825 1.00 0.00 H new ATOM 0 HG LEU A 62 7.640 -8.222 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.709 -6.150 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.621 -6.894 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.203 -7.057 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.426 -7.548 -3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.867 -8.513 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.392 -9.317 -3.045 1.00 0.00 H new ATOM 993 N GLU A 63 9.165 -12.512 0.533 1.00 0.00 N ATOM 994 CA GLU A 63 9.914 -13.636 1.068 1.00 0.00 C ATOM 995 C GLU A 63 9.030 -14.879 1.145 1.00 0.00 C ATOM 996 O GLU A 63 9.523 -15.999 1.285 1.00 0.00 O ATOM 997 CB GLU A 63 10.448 -13.288 2.458 1.00 0.00 C ATOM 998 CG GLU A 63 11.552 -12.243 2.444 1.00 0.00 C ATOM 999 CD GLU A 63 12.795 -12.715 1.716 1.00 0.00 C ATOM 1000 OE1 GLU A 63 12.841 -12.587 0.475 1.00 0.00 O ATOM 1001 OE2 GLU A 63 13.723 -13.214 2.388 1.00 0.00 O ATOM 0 H GLU A 63 8.417 -12.181 1.142 1.00 0.00 H new ATOM 0 HA GLU A 63 10.752 -13.847 0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.625 -12.926 3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.824 -14.195 2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.181 -11.335 1.969 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.813 -11.983 3.470 1.00 0.00 H new ATOM 1008 N ASP A 64 7.717 -14.668 1.054 1.00 0.00 N ATOM 1009 CA ASP A 64 6.749 -15.762 1.121 1.00 0.00 C ATOM 1010 C ASP A 64 6.959 -16.754 -0.008 1.00 0.00 C ATOM 1011 O ASP A 64 7.102 -17.956 0.218 1.00 0.00 O ATOM 1012 CB ASP A 64 5.320 -15.219 1.077 1.00 0.00 C ATOM 1013 CG ASP A 64 4.405 -15.932 2.051 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.229 -17.160 1.910 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.868 -15.264 2.960 1.00 0.00 O ATOM 0 H ASP A 64 7.298 -13.746 0.933 1.00 0.00 H new ATOM 0 HA ASP A 64 6.904 -16.281 2.067 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.331 -14.153 1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.925 -15.324 0.067 1.00 0.00 H new ATOM 1020 N ASP A 65 6.955 -16.228 -1.217 1.00 0.00 N ATOM 1021 CA ASP A 65 7.140 -17.025 -2.428 1.00 0.00 C ATOM 1022 C ASP A 65 5.906 -17.874 -2.709 1.00 0.00 C ATOM 1023 O ASP A 65 5.990 -18.916 -3.358 1.00 0.00 O ATOM 1024 CB ASP A 65 8.384 -17.914 -2.309 1.00 0.00 C ATOM 1025 CG ASP A 65 8.832 -18.473 -3.646 1.00 0.00 C ATOM 1026 OD1 ASP A 65 9.544 -17.757 -4.380 1.00 0.00 O ATOM 1027 OD2 ASP A 65 8.470 -19.628 -3.959 1.00 0.00 O ATOM 0 H ASP A 65 6.823 -15.232 -1.395 1.00 0.00 H new ATOM 0 HA ASP A 65 7.285 -16.340 -3.264 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.198 -17.337 -1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.173 -18.738 -1.627 1.00 0.00 H new ATOM 1032 N SER A 66 4.756 -17.420 -2.220 1.00 0.00 N ATOM 1033 CA SER A 66 3.506 -18.141 -2.431 1.00 0.00 C ATOM 1034 C SER A 66 2.926 -17.838 -3.810 1.00 0.00 C ATOM 1035 O SER A 66 1.917 -18.421 -4.211 1.00 0.00 O ATOM 1036 CB SER A 66 2.495 -17.781 -1.344 1.00 0.00 C ATOM 1037 OG SER A 66 2.915 -18.258 -0.079 1.00 0.00 O ATOM 0 H SER A 66 4.664 -16.561 -1.678 1.00 0.00 H new ATOM 0 HA SER A 66 3.718 -19.209 -2.377 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.369 -16.699 -1.304 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.523 -18.207 -1.592 1.00 0.00 H new ATOM 0 HG SER A 66 3.261 -17.512 0.453 1.00 0.00 H new ATOM 1043 N GLY A 67 3.569 -16.923 -4.528 1.00 0.00 N ATOM 1044 CA GLY A 67 3.112 -16.557 -5.858 1.00 0.00 C ATOM 1045 C GLY A 67 2.308 -15.273 -5.866 1.00 0.00 C ATOM 1046 O GLY A 67 2.875 -14.184 -5.813 1.00 0.00 O ATOM 0 H GLY A 67 4.402 -16.426 -4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.974 -16.446 -6.516 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.503 -17.365 -6.264 1.00 0.00 H new ATOM 1050 N PHE A 68 0.984 -15.395 -5.943 1.00 0.00 N ATOM 1051 CA PHE A 68 0.112 -14.224 -5.949 1.00 0.00 C ATOM 1052 C PHE A 68 0.426 -13.337 -4.752 1.00 0.00 C ATOM 1053 O PHE A 68 0.277 -12.116 -4.805 1.00 0.00 O ATOM 1054 CB PHE A 68 -1.356 -14.652 -5.902 1.00 0.00 C ATOM 1055 CG PHE A 68 -2.262 -13.831 -6.779 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -2.418 -12.467 -6.569 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -2.966 -14.432 -7.809 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -3.262 -11.725 -7.374 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -3.808 -13.692 -8.617 1.00 0.00 C ATOM 1060 CZ PHE A 68 -3.956 -12.337 -8.399 1.00 0.00 C ATOM 0 H PHE A 68 0.495 -16.288 -6.002 1.00 0.00 H new ATOM 0 HA PHE A 68 0.287 -13.665 -6.868 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.428 -15.698 -6.201 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.709 -14.589 -4.873 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.876 -11.982 -5.771 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.856 -15.492 -7.983 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.379 -10.665 -7.201 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.350 -14.173 -9.418 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.614 -11.756 -9.029 1.00 0.00 H new ATOM 1070 N VAL A 69 0.868 -13.973 -3.674 1.00 0.00 N ATOM 1071 CA VAL A 69 1.216 -13.272 -2.448 1.00 0.00 C ATOM 1072 C VAL A 69 2.534 -12.517 -2.599 1.00 0.00 C ATOM 1073 O VAL A 69 2.634 -11.348 -2.228 1.00 0.00 O ATOM 1074 CB VAL A 69 1.323 -14.255 -1.268 1.00 0.00 C ATOM 1075 CG1 VAL A 69 1.448 -13.509 0.049 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.124 -15.191 -1.247 1.00 0.00 C ATOM 0 H VAL A 69 0.994 -14.984 -3.626 1.00 0.00 H new ATOM 0 HA VAL A 69 0.421 -12.554 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 69 2.224 -14.853 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.522 -14.225 0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.342 -12.885 0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.570 -12.880 0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.215 -15.880 -0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.791 -14.608 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.088 -15.757 -2.178 1.00 0.00 H new ATOM 1086 N ARG A 70 3.544 -13.190 -3.149 1.00 0.00 N ATOM 1087 CA ARG A 70 4.851 -12.569 -3.346 1.00 0.00 C ATOM 1088 C ARG A 70 4.786 -11.513 -4.447 1.00 0.00 C ATOM 1089 O ARG A 70 5.059 -10.337 -4.209 1.00 0.00 O ATOM 1090 CB ARG A 70 5.908 -13.622 -3.690 1.00 0.00 C ATOM 1091 CG ARG A 70 7.329 -13.081 -3.651 1.00 0.00 C ATOM 1092 CD ARG A 70 8.343 -14.116 -4.113 1.00 0.00 C ATOM 1093 NE ARG A 70 9.032 -14.748 -2.992 1.00 0.00 N ATOM 1094 CZ ARG A 70 10.305 -15.133 -3.031 1.00 0.00 C ATOM 1095 NH1 ARG A 70 11.026 -14.944 -4.128 1.00 0.00 N ATOM 1096 NH2 ARG A 70 10.858 -15.706 -1.971 1.00 0.00 N ATOM 0 H ARG A 70 3.483 -14.158 -3.464 1.00 0.00 H new ATOM 0 HA ARG A 70 5.136 -12.084 -2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.824 -14.454 -2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.705 -14.020 -4.684 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.398 -12.197 -4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.569 -12.765 -2.636 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.837 -14.880 -4.704 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.075 -13.640 -4.766 1.00 0.00 H new ATOM 0 HE ARG A 70 8.508 -14.903 -2.131 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.605 -14.502 -4.945 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.002 -15.240 -4.154 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.307 -15.852 -1.125 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.834 -16.001 -2.002 1.00 0.00 H new ATOM 1110 N SER A 71 4.426 -11.946 -5.653 1.00 0.00 N ATOM 1111 CA SER A 71 4.312 -11.041 -6.794 1.00 0.00 C ATOM 1112 C SER A 71 3.387 -9.874 -6.471 1.00 0.00 C ATOM 1113 O SER A 71 3.534 -8.782 -7.022 1.00 0.00 O ATOM 1114 CB SER A 71 3.789 -11.793 -8.018 1.00 0.00 C ATOM 1115 OG SER A 71 4.626 -12.892 -8.338 1.00 0.00 O ATOM 0 H SER A 71 4.208 -12.919 -5.865 1.00 0.00 H new ATOM 0 HA SER A 71 5.304 -10.647 -7.013 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.776 -12.147 -7.826 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.733 -11.114 -8.869 1.00 0.00 H new ATOM 0 HG SER A 71 4.269 -13.357 -9.123 1.00 0.00 H new ATOM 1121 N GLY A 72 2.435 -10.112 -5.577 1.00 0.00 N ATOM 1122 CA GLY A 72 1.500 -9.072 -5.192 1.00 0.00 C ATOM 1123 C GLY A 72 2.187 -7.887 -4.546 1.00 0.00 C ATOM 1124 O GLY A 72 1.797 -6.740 -4.758 1.00 0.00 O ATOM 0 H GLY A 72 2.294 -11.008 -5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.953 -8.735 -6.072 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.767 -9.485 -4.499 1.00 0.00 H new ATOM 1128 N ALA A 73 3.208 -8.169 -3.747 1.00 0.00 N ATOM 1129 CA ALA A 73 3.959 -7.125 -3.067 1.00 0.00 C ATOM 1130 C ALA A 73 4.970 -6.477 -4.009 1.00 0.00 C ATOM 1131 O ALA A 73 5.188 -5.268 -3.959 1.00 0.00 O ATOM 1132 CB ALA A 73 4.664 -7.701 -1.849 1.00 0.00 C ATOM 0 H ALA A 73 3.535 -9.116 -3.554 1.00 0.00 H new ATOM 0 HA ALA A 73 3.260 -6.355 -2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.224 -6.913 -1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.925 -8.116 -1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.349 -8.488 -2.164 1.00 0.00 H new ATOM 1138 N ALA A 74 5.568 -7.292 -4.876 1.00 0.00 N ATOM 1139 CA ALA A 74 6.571 -6.819 -5.829 1.00 0.00 C ATOM 1140 C ALA A 74 6.134 -5.539 -6.537 1.00 0.00 C ATOM 1141 O ALA A 74 6.960 -4.676 -6.837 1.00 0.00 O ATOM 1142 CB ALA A 74 6.875 -7.906 -6.849 1.00 0.00 C ATOM 0 H ALA A 74 5.373 -8.291 -4.938 1.00 0.00 H new ATOM 0 HA ALA A 74 7.474 -6.586 -5.265 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.623 -7.544 -7.554 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.257 -8.789 -6.337 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.963 -8.165 -7.388 1.00 0.00 H new ATOM 1148 N ARG A 75 4.838 -5.418 -6.805 1.00 0.00 N ATOM 1149 CA ARG A 75 4.310 -4.239 -7.486 1.00 0.00 C ATOM 1150 C ARG A 75 4.048 -3.099 -6.506 1.00 0.00 C ATOM 1151 O ARG A 75 4.201 -1.927 -6.851 1.00 0.00 O ATOM 1152 CB ARG A 75 3.025 -4.586 -8.243 1.00 0.00 C ATOM 1153 CG ARG A 75 2.106 -5.538 -7.494 1.00 0.00 C ATOM 1154 CD ARG A 75 0.812 -5.783 -8.257 1.00 0.00 C ATOM 1155 NE ARG A 75 1.033 -5.865 -9.700 1.00 0.00 N ATOM 1156 CZ ARG A 75 1.655 -6.877 -10.298 1.00 0.00 C ATOM 1157 NH1 ARG A 75 2.119 -7.892 -9.581 1.00 0.00 N ATOM 1158 NH2 ARG A 75 1.814 -6.874 -11.615 1.00 0.00 N ATOM 0 H ARG A 75 4.136 -6.117 -6.563 1.00 0.00 H new ATOM 0 HA ARG A 75 5.064 -3.906 -8.199 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.482 -3.666 -8.457 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.289 -5.031 -9.202 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.618 -6.486 -7.331 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.877 -5.126 -6.511 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.355 -6.709 -7.907 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.108 -4.979 -8.043 1.00 0.00 H new ATOM 0 HE ARG A 75 0.690 -5.101 -10.282 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.999 -7.898 -8.568 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.596 -8.667 -10.043 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.459 -6.095 -12.170 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.291 -7.651 -12.073 1.00 0.00 H new ATOM 1172 N SER A 76 3.653 -3.449 -5.286 1.00 0.00 N ATOM 1173 CA SER A 76 3.362 -2.456 -4.254 1.00 0.00 C ATOM 1174 C SER A 76 4.565 -1.553 -3.976 1.00 0.00 C ATOM 1175 O SER A 76 4.402 -0.358 -3.732 1.00 0.00 O ATOM 1176 CB SER A 76 2.924 -3.154 -2.969 1.00 0.00 C ATOM 1177 OG SER A 76 1.714 -3.866 -3.164 1.00 0.00 O ATOM 0 H SER A 76 3.526 -4.416 -4.986 1.00 0.00 H new ATOM 0 HA SER A 76 2.554 -1.824 -4.621 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.704 -3.840 -2.639 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.792 -2.417 -2.177 1.00 0.00 H new ATOM 0 HG SER A 76 1.895 -4.688 -3.666 1.00 0.00 H new ATOM 1183 N LEU A 77 5.768 -2.124 -4.008 1.00 0.00 N ATOM 1184 CA LEU A 77 6.986 -1.351 -3.761 1.00 0.00 C ATOM 1185 C LEU A 77 7.076 -0.158 -4.707 1.00 0.00 C ATOM 1186 O LEU A 77 7.103 0.993 -4.271 1.00 0.00 O ATOM 1187 CB LEU A 77 8.218 -2.237 -3.950 1.00 0.00 C ATOM 1188 CG LEU A 77 8.543 -3.187 -2.794 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.890 -2.408 -1.537 1.00 0.00 C ATOM 1190 CD2 LEU A 77 7.390 -4.141 -2.531 1.00 0.00 C ATOM 0 H LEU A 77 5.926 -3.113 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 77 6.950 -0.985 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.080 -2.830 -4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.081 -1.594 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 77 9.412 -3.779 -3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.117 -3.103 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.758 -1.777 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.044 -1.783 -1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.648 -4.804 -1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.497 -3.571 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.197 -4.733 -3.425 1.00 0.00 H new ATOM 1202 N GLU A 78 7.126 -0.446 -6.001 1.00 0.00 N ATOM 1203 CA GLU A 78 7.197 0.598 -7.018 1.00 0.00 C ATOM 1204 C GLU A 78 5.920 1.433 -7.023 1.00 0.00 C ATOM 1205 O GLU A 78 5.923 2.590 -7.443 1.00 0.00 O ATOM 1206 CB GLU A 78 7.422 -0.025 -8.399 1.00 0.00 C ATOM 1207 CG GLU A 78 8.717 -0.812 -8.507 1.00 0.00 C ATOM 1208 CD GLU A 78 8.897 -1.451 -9.871 1.00 0.00 C ATOM 1209 OE1 GLU A 78 8.447 -2.601 -10.050 1.00 0.00 O ATOM 1210 OE2 GLU A 78 9.489 -0.800 -10.758 1.00 0.00 O ATOM 0 H GLU A 78 7.119 -1.396 -6.373 1.00 0.00 H new ATOM 0 HA GLU A 78 8.037 1.252 -6.782 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.586 -0.684 -8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.423 0.766 -9.149 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.559 -0.149 -8.306 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.732 -1.588 -7.741 1.00 0.00 H new ATOM 1217 N GLN A 79 4.831 0.834 -6.551 1.00 0.00 N ATOM 1218 CA GLN A 79 3.539 1.512 -6.495 1.00 0.00 C ATOM 1219 C GLN A 79 3.614 2.748 -5.604 1.00 0.00 C ATOM 1220 O GLN A 79 3.341 3.863 -6.045 1.00 0.00 O ATOM 1221 CB GLN A 79 2.472 0.557 -5.957 1.00 0.00 C ATOM 1222 CG GLN A 79 1.090 0.774 -6.549 1.00 0.00 C ATOM 1223 CD GLN A 79 0.116 -0.318 -6.149 1.00 0.00 C ATOM 1224 OE1 GLN A 79 0.634 -1.523 -5.921 1.00 0.00 O flip ATOM 1225 NE2 GLN A 79 -1.087 -0.083 -6.045 1.00 0.00 N flip ATOM 0 H GLN A 79 4.817 -0.124 -6.200 1.00 0.00 H new ATOM 0 HA GLN A 79 3.273 1.825 -7.505 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.784 -0.468 -6.156 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.413 0.668 -4.874 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.704 1.740 -6.222 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.164 0.812 -7.636 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.441 0.856 -6.229 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.730 -0.827 -5.774 1.00 0.00 H new ATOM 1234 N ILE A 80 3.984 2.532 -4.346 1.00 0.00 N ATOM 1235 CA ILE A 80 4.097 3.616 -3.380 1.00 0.00 C ATOM 1236 C ILE A 80 5.177 4.610 -3.794 1.00 0.00 C ATOM 1237 O ILE A 80 4.932 5.815 -3.861 1.00 0.00 O ATOM 1238 CB ILE A 80 4.409 3.071 -1.971 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.264 2.173 -1.492 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.648 4.215 -0.993 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.548 1.460 -0.186 1.00 0.00 C ATOM 0 H ILE A 80 4.211 1.611 -3.971 1.00 0.00 H new ATOM 0 HA ILE A 80 3.136 4.130 -3.355 1.00 0.00 H new ATOM 0 HB ILE A 80 5.321 2.476 -2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.365 2.778 -1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.052 1.431 -2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.866 3.809 -0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.492 4.815 -1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.757 4.840 -0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.691 0.844 0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.428 0.827 -0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.730 2.195 0.598 1.00 0.00 H new ATOM 1253 N GLY A 81 6.372 4.097 -4.072 1.00 0.00 N ATOM 1254 CA GLY A 81 7.472 4.952 -4.480 1.00 0.00 C ATOM 1255 C GLY A 81 7.753 6.059 -3.482 1.00 0.00 C ATOM 1256 O GLY A 81 7.391 7.215 -3.710 1.00 0.00 O ATOM 0 H GLY A 81 6.598 3.104 -4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.369 4.347 -4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.244 5.392 -5.451 1.00 0.00 H new ATOM 1260 N GLY A 82 8.398 5.708 -2.374 1.00 0.00 N ATOM 1261 CA GLY A 82 8.717 6.692 -1.357 1.00 0.00 C ATOM 1262 C GLY A 82 9.563 6.119 -0.237 1.00 0.00 C ATOM 1263 O GLY A 82 9.914 4.938 -0.257 1.00 0.00 O ATOM 0 H GLY A 82 8.705 4.759 -2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.247 7.526 -1.817 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.792 7.092 -0.941 1.00 0.00 H new ATOM 1267 N GLU A 83 9.893 6.959 0.737 1.00 0.00 N ATOM 1268 CA GLU A 83 10.696 6.533 1.877 1.00 0.00 C ATOM 1269 C GLU A 83 10.002 5.406 2.634 1.00 0.00 C ATOM 1270 O GLU A 83 10.640 4.647 3.365 1.00 0.00 O ATOM 1271 CB GLU A 83 10.957 7.711 2.819 1.00 0.00 C ATOM 1272 CG GLU A 83 9.701 8.250 3.484 1.00 0.00 C ATOM 1273 CD GLU A 83 9.987 9.404 4.425 1.00 0.00 C ATOM 1274 OE1 GLU A 83 10.249 9.147 5.619 1.00 0.00 O ATOM 1275 OE2 GLU A 83 9.947 10.566 3.968 1.00 0.00 O ATOM 0 H GLU A 83 9.616 7.941 0.760 1.00 0.00 H new ATOM 0 HA GLU A 83 11.650 6.165 1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.661 7.399 3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.434 8.515 2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.000 8.578 2.716 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.215 7.447 4.038 1.00 0.00 H new ATOM 1282 N ARG A 84 8.689 5.308 2.454 1.00 0.00 N ATOM 1283 CA ARG A 84 7.895 4.283 3.120 1.00 0.00 C ATOM 1284 C ARG A 84 8.388 2.896 2.731 1.00 0.00 C ATOM 1285 O ARG A 84 8.877 2.137 3.568 1.00 0.00 O ATOM 1286 CB ARG A 84 6.414 4.417 2.738 1.00 0.00 C ATOM 1287 CG ARG A 84 5.820 5.805 2.951 1.00 0.00 C ATOM 1288 CD ARG A 84 6.111 6.739 1.782 1.00 0.00 C ATOM 1289 NE ARG A 84 5.188 7.871 1.749 1.00 0.00 N ATOM 1290 CZ ARG A 84 4.697 8.390 0.627 1.00 0.00 C ATOM 1291 NH1 ARG A 84 5.040 7.882 -0.549 1.00 0.00 N ATOM 1292 NH2 ARG A 84 3.862 9.418 0.680 1.00 0.00 N ATOM 0 H ARG A 84 8.151 5.929 1.850 1.00 0.00 H new ATOM 0 HA ARG A 84 8.003 4.418 4.196 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.298 4.145 1.689 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.837 3.698 3.319 1.00 0.00 H new ATOM 0 HG2 ARG A 84 4.742 5.720 3.087 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.224 6.235 3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.134 7.107 1.857 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.039 6.184 0.847 1.00 0.00 H new ATOM 0 HE ARG A 84 4.904 8.287 2.636 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.682 7.091 -0.595 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.662 8.282 -1.407 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.595 9.812 1.582 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.486 9.815 -0.181 1.00 0.00 H new ATOM 1306 N VAL A 85 8.250 2.582 1.452 1.00 0.00 N ATOM 1307 CA VAL A 85 8.686 1.298 0.921 1.00 0.00 C ATOM 1308 C VAL A 85 10.205 1.210 0.890 1.00 0.00 C ATOM 1309 O VAL A 85 10.773 0.120 0.832 1.00 0.00 O ATOM 1310 CB VAL A 85 8.127 1.043 -0.492 1.00 0.00 C ATOM 1311 CG1 VAL A 85 6.827 0.258 -0.413 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.913 2.354 -1.233 1.00 0.00 C ATOM 0 H VAL A 85 7.836 3.204 0.757 1.00 0.00 H new ATOM 0 HA VAL A 85 8.294 0.531 1.589 1.00 0.00 H new ATOM 0 HB VAL A 85 8.857 0.454 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.444 0.086 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.009 -0.700 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.094 0.824 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.518 2.149 -2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.205 2.972 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.863 2.881 -1.321 1.00 0.00 H new ATOM 1322 N ARG A 86 10.857 2.370 0.918 1.00 0.00 N ATOM 1323 CA ARG A 86 12.316 2.435 0.890 1.00 0.00 C ATOM 1324 C ARG A 86 12.921 1.561 1.982 1.00 0.00 C ATOM 1325 O ARG A 86 13.995 0.986 1.808 1.00 0.00 O ATOM 1326 CB ARG A 86 12.785 3.882 1.056 1.00 0.00 C ATOM 1327 CG ARG A 86 14.295 4.030 1.138 1.00 0.00 C ATOM 1328 CD ARG A 86 14.707 5.489 1.260 1.00 0.00 C ATOM 1329 NE ARG A 86 16.141 5.633 1.486 1.00 0.00 N ATOM 1330 CZ ARG A 86 16.703 6.728 1.989 1.00 0.00 C ATOM 1331 NH1 ARG A 86 15.955 7.777 2.309 1.00 0.00 N ATOM 1332 NH2 ARG A 86 18.016 6.777 2.168 1.00 0.00 N ATOM 0 H ARG A 86 10.397 3.279 0.960 1.00 0.00 H new ATOM 0 HA ARG A 86 12.654 2.060 -0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.416 4.472 0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 86 12.339 4.298 1.959 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.670 3.472 1.996 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.753 3.595 0.250 1.00 0.00 H new ATOM 0 HD2 ARG A 86 14.428 6.022 0.351 1.00 0.00 H new ATOM 0 HD3 ARG A 86 14.162 5.953 2.082 1.00 0.00 H new ATOM 0 HE ARG A 86 16.747 4.849 1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 86 14.945 7.745 2.169 1.00 0.00 H new ATOM 0 HH12 ARG A 86 16.390 8.615 2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 86 18.595 5.975 1.920 1.00 0.00 H new ATOM 0 HH22 ARG A 86 18.447 7.617 2.554 1.00 0.00 H new ATOM 1346 N ALA A 87 12.222 1.463 3.107 1.00 0.00 N ATOM 1347 CA ALA A 87 12.685 0.659 4.227 1.00 0.00 C ATOM 1348 C ALA A 87 12.343 -0.807 4.006 1.00 0.00 C ATOM 1349 O ALA A 87 13.011 -1.700 4.528 1.00 0.00 O ATOM 1350 CB ALA A 87 12.073 1.163 5.525 1.00 0.00 C ATOM 0 H ALA A 87 11.330 1.932 3.266 1.00 0.00 H new ATOM 0 HA ALA A 87 13.769 0.750 4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.428 0.553 6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.365 2.201 5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.987 1.097 5.465 1.00 0.00 H new ATOM 1356 N ALA A 88 11.293 -1.047 3.227 1.00 0.00 N ATOM 1357 CA ALA A 88 10.859 -2.402 2.919 1.00 0.00 C ATOM 1358 C ALA A 88 11.843 -3.091 1.979 1.00 0.00 C ATOM 1359 O ALA A 88 12.206 -4.248 2.189 1.00 0.00 O ATOM 1360 CB ALA A 88 9.464 -2.388 2.314 1.00 0.00 C ATOM 0 H ALA A 88 10.726 -0.316 2.797 1.00 0.00 H new ATOM 0 HA ALA A 88 10.829 -2.968 3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.155 -3.409 2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.765 -1.944 3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.472 -1.801 1.396 1.00 0.00 H new ATOM 1366 N MET A 89 12.272 -2.375 0.941 1.00 0.00 N ATOM 1367 CA MET A 89 13.215 -2.931 -0.022 1.00 0.00 C ATOM 1368 C MET A 89 14.583 -3.123 0.621 1.00 0.00 C ATOM 1369 O MET A 89 15.338 -4.015 0.239 1.00 0.00 O ATOM 1370 CB MET A 89 13.319 -2.036 -1.265 1.00 0.00 C ATOM 1371 CG MET A 89 14.049 -0.719 -1.045 1.00 0.00 C ATOM 1372 SD MET A 89 15.844 -0.898 -1.035 1.00 0.00 S ATOM 1373 CE MET A 89 16.353 0.819 -0.998 1.00 0.00 C ATOM 0 H MET A 89 11.983 -1.416 0.748 1.00 0.00 H new ATOM 0 HA MET A 89 12.844 -3.906 -0.339 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.829 -2.590 -2.053 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.313 -1.822 -1.626 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.764 -0.017 -1.829 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.728 -0.286 -0.098 1.00 0.00 H new ATOM 0 HE1 MET A 89 17.385 0.900 -1.340 1.00 0.00 H new ATOM 0 HE2 MET A 89 15.707 1.404 -1.652 1.00 0.00 H new ATOM 0 HE3 MET A 89 16.278 1.199 0.021 1.00 0.00 H new ATOM 1383 N GLU A 90 14.897 -2.276 1.598 1.00 0.00 N ATOM 1384 CA GLU A 90 16.167 -2.370 2.305 1.00 0.00 C ATOM 1385 C GLU A 90 16.179 -3.603 3.195 1.00 0.00 C ATOM 1386 O GLU A 90 17.227 -4.208 3.427 1.00 0.00 O ATOM 1387 CB GLU A 90 16.409 -1.117 3.149 1.00 0.00 C ATOM 1388 CG GLU A 90 16.883 0.080 2.343 1.00 0.00 C ATOM 1389 CD GLU A 90 18.289 -0.102 1.804 1.00 0.00 C ATOM 1390 OE1 GLU A 90 18.436 -0.705 0.721 1.00 0.00 O ATOM 1391 OE2 GLU A 90 19.243 0.356 2.468 1.00 0.00 O ATOM 0 H GLU A 90 14.290 -1.520 1.916 1.00 0.00 H new ATOM 0 HA GLU A 90 16.966 -2.452 1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.486 -0.854 3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.150 -1.344 3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.198 0.249 1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.850 0.972 2.969 1.00 0.00 H new ATOM 1398 N LYS A 91 15.003 -3.970 3.692 1.00 0.00 N ATOM 1399 CA LYS A 91 14.869 -5.138 4.555 1.00 0.00 C ATOM 1400 C LYS A 91 14.974 -6.431 3.753 1.00 0.00 C ATOM 1401 O LYS A 91 15.451 -7.445 4.263 1.00 0.00 O ATOM 1402 CB LYS A 91 13.537 -5.092 5.308 1.00 0.00 C ATOM 1403 CG LYS A 91 13.305 -6.287 6.224 1.00 0.00 C ATOM 1404 CD LYS A 91 14.416 -6.441 7.257 1.00 0.00 C ATOM 1405 CE LYS A 91 14.569 -5.191 8.112 1.00 0.00 C ATOM 1406 NZ LYS A 91 13.290 -4.813 8.776 1.00 0.00 N ATOM 0 H LYS A 91 14.129 -3.476 3.512 1.00 0.00 H new ATOM 0 HA LYS A 91 15.686 -5.119 5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.498 -4.179 5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.723 -5.038 4.585 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.349 -6.172 6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.239 -7.195 5.625 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.201 -7.296 7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.357 -6.652 6.750 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.335 -5.360 8.869 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.913 -4.365 7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.470 -4.066 9.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.618 -4.464 8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.888 -5.645 9.253 1.00 0.00 H new ATOM 1420 N LEU A 92 14.530 -6.398 2.499 1.00 0.00 N ATOM 1421 CA LEU A 92 14.583 -7.571 1.652 1.00 0.00 C ATOM 1422 C LEU A 92 15.939 -7.658 0.958 1.00 0.00 C ATOM 1423 O LEU A 92 16.441 -8.748 0.693 1.00 0.00 O ATOM 1424 CB LEU A 92 13.439 -7.523 0.638 1.00 0.00 C ATOM 1425 CG LEU A 92 13.740 -8.143 -0.718 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.898 -9.653 -0.605 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.644 -7.794 -1.708 1.00 0.00 C ATOM 0 H LEU A 92 14.132 -5.571 2.054 1.00 0.00 H new ATOM 0 HA LEU A 92 14.464 -8.467 2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.575 -8.031 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.154 -6.482 0.487 1.00 0.00 H new ATOM 0 HG LEU A 92 14.683 -7.734 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 92 14.113 -10.071 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.719 -9.883 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.976 -10.088 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.871 -8.243 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.690 -8.176 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.583 -6.711 -1.816 1.00 0.00 H new ATOM 1439 N ALA A 93 16.525 -6.501 0.664 1.00 0.00 N ATOM 1440 CA ALA A 93 17.834 -6.448 0.023 1.00 0.00 C ATOM 1441 C ALA A 93 18.850 -7.243 0.832 1.00 0.00 C ATOM 1442 O ALA A 93 19.823 -7.769 0.292 1.00 0.00 O ATOM 1443 CB ALA A 93 18.292 -5.005 -0.125 1.00 0.00 C ATOM 0 H ALA A 93 16.114 -5.588 0.860 1.00 0.00 H new ATOM 0 HA ALA A 93 17.754 -6.891 -0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.270 -4.981 -0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.575 -4.456 -0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.359 -4.542 0.859 1.00 0.00 H new ATOM 1449 N GLU A 94 18.607 -7.324 2.135 1.00 0.00 N ATOM 1450 CA GLU A 94 19.481 -8.055 3.040 1.00 0.00 C ATOM 1451 C GLU A 94 19.134 -9.542 3.022 1.00 0.00 C ATOM 1452 O GLU A 94 19.976 -10.393 3.310 1.00 0.00 O ATOM 1453 CB GLU A 94 19.350 -7.497 4.458 1.00 0.00 C ATOM 1454 CG GLU A 94 20.314 -8.118 5.452 1.00 0.00 C ATOM 1455 CD GLU A 94 21.766 -7.922 5.060 1.00 0.00 C ATOM 1456 OE1 GLU A 94 22.281 -8.733 4.261 1.00 0.00 O ATOM 1457 OE2 GLU A 94 22.388 -6.958 5.553 1.00 0.00 O ATOM 0 H GLU A 94 17.805 -6.888 2.590 1.00 0.00 H new ATOM 0 HA GLU A 94 20.512 -7.935 2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 94 19.514 -6.420 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.330 -7.655 4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 94 20.146 -7.681 6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 94 20.105 -9.185 5.536 1.00 0.00 H new ATOM 1464 N THR A 95 17.884 -9.836 2.677 1.00 0.00 N ATOM 1465 CA THR A 95 17.401 -11.213 2.599 1.00 0.00 C ATOM 1466 C THR A 95 17.013 -11.549 1.164 1.00 0.00 C ATOM 1467 O THR A 95 16.103 -12.341 0.920 1.00 0.00 O ATOM 1468 CB THR A 95 16.180 -11.438 3.514 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.143 -10.504 3.186 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.563 -11.286 4.979 1.00 0.00 C ATOM 0 H THR A 95 17.182 -9.134 2.445 1.00 0.00 H new ATOM 0 HA THR A 95 18.210 -11.864 2.932 1.00 0.00 H new ATOM 0 HB THR A 95 15.818 -12.454 3.355 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.371 -10.654 3.770 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.685 -11.449 5.604 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.330 -12.018 5.232 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.949 -10.281 5.152 1.00 0.00 H new ATOM 1478 N GLY A 96 17.727 -10.937 0.224 1.00 0.00 N ATOM 1479 CA GLY A 96 17.458 -11.137 -1.186 1.00 0.00 C ATOM 1480 C GLY A 96 17.278 -12.590 -1.573 1.00 0.00 C ATOM 1481 O GLY A 96 18.171 -13.415 -1.374 1.00 0.00 O ATOM 0 H GLY A 96 18.497 -10.298 0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.558 -10.584 -1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.278 -10.715 -1.766 1.00 0.00 H new ATOM 1485 N THR A 97 16.113 -12.898 -2.133 1.00 0.00 N ATOM 1486 CA THR A 97 15.798 -14.250 -2.574 1.00 0.00 C ATOM 1487 C THR A 97 14.831 -14.213 -3.753 1.00 0.00 C ATOM 1488 O THR A 97 13.808 -13.528 -3.708 1.00 0.00 O ATOM 1489 CB THR A 97 15.184 -15.089 -1.437 1.00 0.00 C ATOM 1490 OG1 THR A 97 16.079 -15.128 -0.318 1.00 0.00 O ATOM 1491 CG2 THR A 97 14.893 -16.508 -1.905 1.00 0.00 C ATOM 0 H THR A 97 15.366 -12.222 -2.293 1.00 0.00 H new ATOM 0 HA THR A 97 16.734 -14.718 -2.881 1.00 0.00 H new ATOM 0 HB THR A 97 14.246 -14.621 -1.138 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.064 -14.263 0.143 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.460 -17.080 -1.084 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.190 -16.480 -2.738 1.00 0.00 H new ATOM 0 HG23 THR A 97 15.820 -16.982 -2.228 1.00 0.00 H new ATOM 1499 N GLY A 98 15.160 -14.952 -4.809 1.00 0.00 N ATOM 1500 CA GLY A 98 14.313 -14.980 -5.988 1.00 0.00 C ATOM 1501 C GLY A 98 14.376 -13.685 -6.774 1.00 0.00 C ATOM 1502 O GLY A 98 15.447 -13.098 -6.929 1.00 0.00 O ATOM 0 H GLY A 98 15.997 -15.531 -4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.616 -15.807 -6.630 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.283 -15.170 -5.688 1.00 0.00 H new ATOM 1506 N PHE A 99 13.227 -13.237 -7.271 1.00 0.00 N ATOM 1507 CA PHE A 99 13.159 -12.000 -8.041 1.00 0.00 C ATOM 1508 C PHE A 99 12.911 -10.814 -7.118 1.00 0.00 C ATOM 1509 O PHE A 99 13.148 -9.665 -7.490 1.00 0.00 O ATOM 1510 CB PHE A 99 12.053 -12.092 -9.098 1.00 0.00 C ATOM 1511 CG PHE A 99 10.676 -11.785 -8.575 1.00 0.00 C ATOM 1512 CD1 PHE A 99 10.089 -12.580 -7.600 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.966 -10.700 -9.063 1.00 0.00 C ATOM 1514 CE1 PHE A 99 8.823 -12.297 -7.126 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.698 -10.412 -8.591 1.00 0.00 C ATOM 1516 CZ PHE A 99 8.128 -11.212 -7.621 1.00 0.00 C ATOM 0 H PHE A 99 12.332 -13.711 -7.154 1.00 0.00 H new ATOM 0 HA PHE A 99 14.113 -11.853 -8.547 1.00 0.00 H new ATOM 0 HB2 PHE A 99 12.283 -11.403 -9.910 1.00 0.00 H new ATOM 0 HB3 PHE A 99 12.053 -13.096 -9.522 1.00 0.00 H new ATOM 0 HD1 PHE A 99 10.628 -13.429 -7.208 1.00 0.00 H new ATOM 0 HD2 PHE A 99 10.408 -10.071 -9.822 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.377 -12.924 -6.368 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.155 -9.563 -8.980 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.139 -10.989 -7.250 1.00 0.00 H new ATOM 1526 N ALA A 100 12.430 -11.107 -5.913 1.00 0.00 N ATOM 1527 CA ALA A 100 12.155 -10.076 -4.922 1.00 0.00 C ATOM 1528 C ALA A 100 13.388 -9.215 -4.689 1.00 0.00 C ATOM 1529 O ALA A 100 13.301 -7.991 -4.612 1.00 0.00 O ATOM 1530 CB ALA A 100 11.700 -10.711 -3.618 1.00 0.00 C ATOM 0 H ALA A 100 12.222 -12.055 -5.600 1.00 0.00 H new ATOM 0 HA ALA A 100 11.356 -9.437 -5.299 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.497 -9.931 -2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.793 -11.290 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.483 -11.369 -3.241 1.00 0.00 H new ATOM 1536 N ARG A 101 14.537 -9.865 -4.573 1.00 0.00 N ATOM 1537 CA ARG A 101 15.793 -9.160 -4.360 1.00 0.00 C ATOM 1538 C ARG A 101 15.969 -8.066 -5.405 1.00 0.00 C ATOM 1539 O ARG A 101 16.117 -6.890 -5.071 1.00 0.00 O ATOM 1540 CB ARG A 101 16.954 -10.141 -4.436 1.00 0.00 C ATOM 1541 CG ARG A 101 18.314 -9.505 -4.192 1.00 0.00 C ATOM 1542 CD ARG A 101 19.400 -10.559 -4.057 1.00 0.00 C ATOM 1543 NE ARG A 101 19.502 -11.400 -5.246 1.00 0.00 N ATOM 1544 CZ ARG A 101 20.309 -12.453 -5.342 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.074 -12.805 -4.317 1.00 0.00 N ATOM 1546 NH2 ARG A 101 20.348 -13.157 -6.464 1.00 0.00 N ATOM 0 H ARG A 101 14.626 -10.880 -4.623 1.00 0.00 H new ATOM 0 HA ARG A 101 15.775 -8.700 -3.372 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.797 -10.932 -3.703 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.955 -10.612 -5.419 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.557 -8.833 -5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.277 -8.899 -3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 101 20.358 -10.071 -3.876 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.192 -11.184 -3.189 1.00 0.00 H new ATOM 0 HE ARG A 101 18.920 -11.166 -6.051 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.045 -12.267 -3.451 1.00 0.00 H new ATOM 0 HH12 ARG A 101 21.691 -13.613 -4.395 1.00 0.00 H new ATOM 0 HH21 ARG A 101 19.759 -12.891 -7.254 1.00 0.00 H new ATOM 0 HH22 ARG A 101 20.967 -13.965 -6.538 1.00 0.00 H new ATOM 1560 N LYS A 102 15.952 -8.467 -6.675 1.00 0.00 N ATOM 1561 CA LYS A 102 16.091 -7.524 -7.775 1.00 0.00 C ATOM 1562 C LYS A 102 15.013 -6.449 -7.683 1.00 0.00 C ATOM 1563 O LYS A 102 15.229 -5.301 -8.064 1.00 0.00 O ATOM 1564 CB LYS A 102 15.996 -8.255 -9.119 1.00 0.00 C ATOM 1565 CG LYS A 102 15.805 -7.323 -10.307 1.00 0.00 C ATOM 1566 CD LYS A 102 15.901 -8.067 -11.632 1.00 0.00 C ATOM 1567 CE LYS A 102 17.288 -8.652 -11.850 1.00 0.00 C ATOM 1568 NZ LYS A 102 17.387 -9.377 -13.146 1.00 0.00 N ATOM 0 H LYS A 102 15.843 -9.439 -6.964 1.00 0.00 H new ATOM 0 HA LYS A 102 17.069 -7.049 -7.706 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.903 -8.841 -9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 102 15.164 -8.959 -9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.833 -6.836 -10.234 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.559 -6.536 -10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.161 -8.867 -11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.660 -7.387 -12.449 1.00 0.00 H new ATOM 0 HE2 LYS A 102 18.028 -7.852 -11.824 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.527 -9.333 -11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.347 -9.761 -13.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.699 -10.157 -13.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 17.184 -8.721 -13.927 1.00 0.00 H new ATOM 1582 N VAL A 103 13.854 -6.839 -7.167 1.00 0.00 N ATOM 1583 CA VAL A 103 12.730 -5.924 -7.012 1.00 0.00 C ATOM 1584 C VAL A 103 13.060 -4.804 -6.025 1.00 0.00 C ATOM 1585 O VAL A 103 12.727 -3.643 -6.260 1.00 0.00 O ATOM 1586 CB VAL A 103 11.469 -6.680 -6.538 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.433 -5.721 -5.966 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.872 -7.488 -7.682 1.00 0.00 C ATOM 0 H VAL A 103 13.667 -7.789 -6.847 1.00 0.00 H new ATOM 0 HA VAL A 103 12.533 -5.480 -7.988 1.00 0.00 H new ATOM 0 HB VAL A 103 11.767 -7.364 -5.744 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.557 -6.283 -5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.860 -5.190 -5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.140 -5.003 -6.732 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.984 -8.015 -7.331 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.598 -6.818 -8.497 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.606 -8.211 -8.038 1.00 0.00 H new ATOM 1598 N ALA A 104 13.717 -5.158 -4.925 1.00 0.00 N ATOM 1599 CA ALA A 104 14.086 -4.186 -3.900 1.00 0.00 C ATOM 1600 C ALA A 104 15.083 -3.155 -4.426 1.00 0.00 C ATOM 1601 O ALA A 104 14.832 -1.950 -4.385 1.00 0.00 O ATOM 1602 CB ALA A 104 14.678 -4.909 -2.699 1.00 0.00 C ATOM 0 H ALA A 104 14.006 -6.114 -4.720 1.00 0.00 H new ATOM 0 HA ALA A 104 13.182 -3.652 -3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.953 -4.181 -1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.941 -5.602 -2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.565 -5.463 -3.008 1.00 0.00 H new ATOM 1608 N VAL A 105 16.211 -3.650 -4.917 1.00 0.00 N ATOM 1609 CA VAL A 105 17.285 -2.803 -5.430 1.00 0.00 C ATOM 1610 C VAL A 105 16.876 -2.012 -6.674 1.00 0.00 C ATOM 1611 O VAL A 105 17.009 -0.790 -6.708 1.00 0.00 O ATOM 1612 CB VAL A 105 18.545 -3.638 -5.745 1.00 0.00 C ATOM 1613 CG1 VAL A 105 18.224 -4.775 -6.706 1.00 0.00 C ATOM 1614 CG2 VAL A 105 19.651 -2.755 -6.304 1.00 0.00 C ATOM 0 H VAL A 105 16.410 -4.649 -4.972 1.00 0.00 H new ATOM 0 HA VAL A 105 17.506 -2.086 -4.639 1.00 0.00 H new ATOM 0 HB VAL A 105 18.897 -4.078 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 105 19.130 -5.346 -6.910 1.00 0.00 H new ATOM 0 HG12 VAL A 105 17.476 -5.429 -6.259 1.00 0.00 H new ATOM 0 HG13 VAL A 105 17.836 -4.365 -7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 105 20.529 -3.364 -6.519 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.307 -2.278 -7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 105 19.910 -1.990 -5.572 1.00 0.00 H new ATOM 1624 N ASN A 106 16.388 -2.707 -7.694 1.00 0.00 N ATOM 1625 CA ASN A 106 15.984 -2.054 -8.938 1.00 0.00 C ATOM 1626 C ASN A 106 14.958 -0.955 -8.682 1.00 0.00 C ATOM 1627 O ASN A 106 14.948 0.066 -9.371 1.00 0.00 O ATOM 1628 CB ASN A 106 15.412 -3.077 -9.921 1.00 0.00 C ATOM 1629 CG ASN A 106 15.017 -2.448 -11.243 1.00 0.00 C ATOM 1630 OD1 ASN A 106 15.803 -2.417 -12.189 1.00 0.00 O ATOM 1631 ND2 ASN A 106 13.793 -1.936 -11.311 1.00 0.00 N ATOM 0 H ASN A 106 16.262 -3.719 -7.687 1.00 0.00 H new ATOM 0 HA ASN A 106 16.874 -1.598 -9.372 1.00 0.00 H new ATOM 0 HB2 ASN A 106 16.151 -3.858 -10.100 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.541 -3.558 -9.476 1.00 0.00 H new ATOM 0 HD21 ASN A 106 13.472 -1.495 -12.173 1.00 0.00 H new ATOM 0 HD22 ASN A 106 13.174 -1.984 -10.501 1.00 0.00 H new ATOM 1638 N TYR A 107 14.096 -1.168 -7.694 1.00 0.00 N ATOM 1639 CA TYR A 107 13.068 -0.197 -7.358 1.00 0.00 C ATOM 1640 C TYR A 107 13.677 1.157 -6.985 1.00 0.00 C ATOM 1641 O TYR A 107 13.075 2.202 -7.232 1.00 0.00 O ATOM 1642 CB TYR A 107 12.206 -0.738 -6.218 1.00 0.00 C ATOM 1643 CG TYR A 107 11.514 0.338 -5.422 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.607 1.208 -6.013 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.798 0.494 -4.082 1.00 0.00 C ATOM 1646 CE1 TYR A 107 10.000 2.204 -5.277 1.00 0.00 C ATOM 1647 CE2 TYR A 107 11.201 1.489 -3.337 1.00 0.00 C ATOM 1648 CZ TYR A 107 10.302 2.343 -3.939 1.00 0.00 C ATOM 1649 OH TYR A 107 9.711 3.342 -3.205 1.00 0.00 O ATOM 0 H TYR A 107 14.091 -2.006 -7.113 1.00 0.00 H new ATOM 0 HA TYR A 107 12.442 -0.038 -8.236 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.456 -1.413 -6.630 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.832 -1.328 -5.548 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.374 1.103 -7.062 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.501 -0.175 -3.607 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.292 2.871 -5.746 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.436 1.598 -2.289 1.00 0.00 H new ATOM 0 HH TYR A 107 10.399 3.837 -2.713 1.00 0.00 H new ATOM 1659 N LEU A 108 14.872 1.130 -6.395 1.00 0.00 N ATOM 1660 CA LEU A 108 15.556 2.357 -5.978 1.00 0.00 C ATOM 1661 C LEU A 108 15.600 3.385 -7.106 1.00 0.00 C ATOM 1662 O LEU A 108 15.789 4.578 -6.862 1.00 0.00 O ATOM 1663 CB LEU A 108 16.981 2.043 -5.517 1.00 0.00 C ATOM 1664 CG LEU A 108 17.269 2.323 -4.041 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.675 1.872 -3.678 1.00 0.00 C ATOM 1666 CD2 LEU A 108 17.089 3.801 -3.731 1.00 0.00 C ATOM 0 H LEU A 108 15.387 0.273 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 108 14.990 2.781 -5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.186 0.991 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.677 2.624 -6.122 1.00 0.00 H new ATOM 0 HG LEU A 108 16.558 1.757 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.863 2.079 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.772 0.802 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.399 2.412 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.298 3.980 -2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.776 4.387 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.064 4.097 -3.953 1.00 0.00 H new ATOM 1678 N GLU A 109 15.429 2.917 -8.336 1.00 0.00 N ATOM 1679 CA GLU A 109 15.443 3.797 -9.501 1.00 0.00 C ATOM 1680 C GLU A 109 14.215 4.709 -9.528 1.00 0.00 C ATOM 1681 O GLU A 109 14.011 5.456 -10.486 1.00 0.00 O ATOM 1682 CB GLU A 109 15.500 2.969 -10.786 1.00 0.00 C ATOM 1683 CG GLU A 109 16.758 2.126 -10.914 1.00 0.00 C ATOM 1684 CD GLU A 109 16.849 1.414 -12.250 1.00 0.00 C ATOM 1685 OE1 GLU A 109 17.338 2.031 -13.219 1.00 0.00 O ATOM 1686 OE2 GLU A 109 16.432 0.240 -12.327 1.00 0.00 O ATOM 0 H GLU A 109 15.279 1.932 -8.554 1.00 0.00 H new ATOM 0 HA GLU A 109 16.331 4.425 -9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 109 14.629 2.315 -10.825 1.00 0.00 H new ATOM 0 HB3 GLU A 109 15.434 3.639 -11.643 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.633 2.764 -10.786 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.780 1.389 -10.111 1.00 0.00 H new ATOM 1693 N THR A 110 13.402 4.647 -8.475 1.00 0.00 N ATOM 1694 CA THR A 110 12.198 5.468 -8.389 1.00 0.00 C ATOM 1695 C THR A 110 12.354 6.575 -7.350 1.00 0.00 C ATOM 1696 O THR A 110 12.492 7.748 -7.697 1.00 0.00 O ATOM 1697 CB THR A 110 10.961 4.621 -8.040 1.00 0.00 C ATOM 1698 OG1 THR A 110 10.885 3.483 -8.907 1.00 0.00 O ATOM 1699 CG2 THR A 110 9.688 5.445 -8.168 1.00 0.00 C ATOM 0 H THR A 110 13.555 4.038 -7.671 1.00 0.00 H new ATOM 0 HA THR A 110 12.055 5.917 -9.372 1.00 0.00 H new ATOM 0 HB THR A 110 11.058 4.286 -7.007 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.510 2.794 -8.598 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.827 4.826 -7.917 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.735 6.295 -7.487 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.589 5.805 -9.192 1.00 0.00 H new ATOM 1707 N HIS A 111 12.331 6.197 -6.072 1.00 0.00 N ATOM 1708 CA HIS A 111 12.471 7.168 -4.991 1.00 0.00 C ATOM 1709 C HIS A 111 13.943 7.403 -4.663 1.00 0.00 C ATOM 1710 O HIS A 111 14.546 8.312 -5.271 1.00 0.00 O ATOM 1711 CB HIS A 111 11.729 6.691 -3.738 1.00 0.00 C ATOM 1712 CG HIS A 111 11.752 7.686 -2.617 1.00 0.00 C ATOM 1713 ND1 HIS A 111 11.031 8.862 -2.641 1.00 0.00 N ATOM 1714 CD2 HIS A 111 12.413 7.676 -1.435 1.00 0.00 C ATOM 1715 CE1 HIS A 111 11.250 9.532 -1.523 1.00 0.00 C ATOM 1716 NE2 HIS A 111 12.083 8.835 -0.774 1.00 0.00 N ATOM 1717 OXT HIS A 111 14.481 6.676 -3.800 1.00 0.00 O ATOM 0 H HIS A 111 12.217 5.232 -5.763 1.00 0.00 H new ATOM 0 HA HIS A 111 12.032 8.108 -5.325 1.00 0.00 H new ATOM 0 HB2 HIS A 111 10.693 6.473 -3.999 1.00 0.00 H new ATOM 0 HB3 HIS A 111 12.174 5.757 -3.394 1.00 0.00 H new ATOM 0 HD2 HIS A 111 13.076 6.902 -1.078 1.00 0.00 H new ATOM 0 HE1 HIS A 111 10.820 10.489 -1.266 1.00 0.00 H new ATOM 0 HE2 HIS A 111 12.426 9.111 0.146 1.00 0.00 H new