USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 ASN :FLIP amide:sc= -1.69! C(o=-13!,f=-3.4!) USER MOD Set 1.2: A 79 GLN :FLIP amide:sc= -1.76! C(o=-4.7!,f=-3.4!) USER MOD Single : A 30 SER OG : rot -15:sc= -0.612 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.38! C(o=-2.4!,f=-4.7!) USER MOD Single : A 50 GLN : amide:sc= 0.7 K(o=0.7,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -106:sc= 0.25 USER MOD Single : A 71 SER OG : rot -58:sc= 0.571 USER MOD Single : A 76 SER OG : rot -159:sc= 1.2 USER MOD Single : A 89 MET CE :methyl -128:sc= -11.3! (180deg=-12.2!) USER MOD Single : A 91 LYS NZ :NH3+ -160:sc= -0.0849 (180deg=-0.432) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 107 TYR OH : rot -61:sc= -2.12! USER MOD Single : A 110 THR OG1 : rot -93:sc= 1.25 USER MOD Single : A 111 HIS : no HD1:sc= -0.855 K(o=-0.86,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 347 N ALA A 23 -12.599 -1.511 4.097 1.00 0.00 N ATOM 348 CA ALA A 23 -11.970 -2.802 3.846 1.00 0.00 C ATOM 349 C ALA A 23 -10.512 -2.805 4.289 1.00 0.00 C ATOM 350 O ALA A 23 -9.787 -3.774 4.056 1.00 0.00 O ATOM 351 CB ALA A 23 -12.072 -3.160 2.373 1.00 0.00 C ATOM 0 HA ALA A 23 -12.500 -3.552 4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.598 -4.126 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.121 -3.213 2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.569 -2.398 1.778 1.00 0.00 H new ATOM 357 N PHE A 24 -10.085 -1.719 4.926 1.00 0.00 N ATOM 358 CA PHE A 24 -8.715 -1.601 5.404 1.00 0.00 C ATOM 359 C PHE A 24 -8.348 -2.788 6.283 1.00 0.00 C ATOM 360 O PHE A 24 -7.340 -3.452 6.055 1.00 0.00 O ATOM 361 CB PHE A 24 -8.540 -0.294 6.176 1.00 0.00 C ATOM 362 CG PHE A 24 -7.115 0.163 6.256 1.00 0.00 C ATOM 363 CD1 PHE A 24 -6.331 0.220 5.115 1.00 0.00 C ATOM 364 CD2 PHE A 24 -6.559 0.534 7.467 1.00 0.00 C ATOM 365 CE1 PHE A 24 -5.020 0.637 5.181 1.00 0.00 C ATOM 366 CE2 PHE A 24 -5.246 0.952 7.540 1.00 0.00 C ATOM 367 CZ PHE A 24 -4.474 1.005 6.395 1.00 0.00 C ATOM 0 H PHE A 24 -10.671 -0.907 5.123 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.047 -1.595 4.543 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.137 0.484 5.700 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -8.930 -0.422 7.186 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.753 -0.066 4.163 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.159 0.496 8.364 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.419 0.676 4.284 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.822 1.238 8.491 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.447 1.333 6.449 1.00 0.00 H new ATOM 377 N GLU A 25 -9.158 -3.039 7.302 1.00 0.00 N ATOM 378 CA GLU A 25 -8.917 -4.164 8.198 1.00 0.00 C ATOM 379 C GLU A 25 -9.019 -5.500 7.456 1.00 0.00 C ATOM 380 O GLU A 25 -8.079 -6.291 7.491 1.00 0.00 O ATOM 381 CB GLU A 25 -9.887 -4.145 9.371 1.00 0.00 C ATOM 382 CG GLU A 25 -9.233 -3.796 10.698 1.00 0.00 C ATOM 383 CD GLU A 25 -8.514 -2.461 10.660 1.00 0.00 C ATOM 384 OE1 GLU A 25 -9.172 -1.425 10.891 1.00 0.00 O ATOM 385 OE2 GLU A 25 -7.292 -2.453 10.399 1.00 0.00 O ATOM 0 H GLU A 25 -9.983 -2.484 7.529 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.902 -4.061 8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.678 -3.424 9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.361 -5.123 9.455 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.993 -3.773 11.479 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.524 -4.579 10.967 1.00 0.00 H new ATOM 392 N PRO A 26 -10.162 -5.787 6.783 1.00 0.00 N ATOM 393 CA PRO A 26 -10.336 -7.039 6.041 1.00 0.00 C ATOM 394 C PRO A 26 -9.113 -7.371 5.196 1.00 0.00 C ATOM 395 O PRO A 26 -8.830 -8.536 4.918 1.00 0.00 O ATOM 396 CB PRO A 26 -11.542 -6.755 5.148 1.00 0.00 C ATOM 397 CG PRO A 26 -12.349 -5.762 5.909 1.00 0.00 C ATOM 398 CD PRO A 26 -11.367 -4.930 6.695 1.00 0.00 C ATOM 0 HA PRO A 26 -10.474 -7.896 6.701 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.234 -6.358 4.181 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.113 -7.663 4.952 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.934 -5.138 5.234 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.054 -6.262 6.573 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -11.151 -3.987 6.193 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.754 -4.683 7.683 1.00 0.00 H new ATOM 406 N LEU A 27 -8.392 -6.330 4.797 1.00 0.00 N ATOM 407 CA LEU A 27 -7.189 -6.485 3.994 1.00 0.00 C ATOM 408 C LEU A 27 -6.108 -7.221 4.777 1.00 0.00 C ATOM 409 O LEU A 27 -5.642 -8.282 4.360 1.00 0.00 O ATOM 410 CB LEU A 27 -6.684 -5.109 3.569 1.00 0.00 C ATOM 411 CG LEU A 27 -7.156 -4.643 2.192 1.00 0.00 C ATOM 412 CD1 LEU A 27 -6.984 -3.139 2.047 1.00 0.00 C ATOM 413 CD2 LEU A 27 -6.393 -5.372 1.095 1.00 0.00 C ATOM 0 H LEU A 27 -8.624 -5.362 5.020 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.428 -7.075 3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.001 -4.377 4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.594 -5.120 3.578 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.216 -4.879 2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.326 -2.827 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.571 -2.630 2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.932 -2.880 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.741 -5.029 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.327 -5.165 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.564 -6.445 1.184 1.00 0.00 H new ATOM 425 N LEU A 28 -5.713 -6.655 5.916 1.00 0.00 N ATOM 426 CA LEU A 28 -4.700 -7.278 6.762 1.00 0.00 C ATOM 427 C LEU A 28 -5.248 -8.554 7.383 1.00 0.00 C ATOM 428 O LEU A 28 -4.494 -9.415 7.838 1.00 0.00 O ATOM 429 CB LEU A 28 -4.243 -6.311 7.861 1.00 0.00 C ATOM 430 CG LEU A 28 -5.362 -5.736 8.738 1.00 0.00 C ATOM 431 CD1 LEU A 28 -5.777 -6.725 9.817 1.00 0.00 C ATOM 432 CD2 LEU A 28 -4.920 -4.427 9.367 1.00 0.00 C ATOM 0 H LEU A 28 -6.077 -5.771 6.272 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.839 -7.527 6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.531 -6.828 8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.709 -5.483 7.394 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.226 -5.548 8.101 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.572 -6.290 10.423 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.137 -7.642 9.351 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.920 -6.952 10.451 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.725 -4.031 9.987 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.038 -4.599 9.984 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.679 -3.709 8.583 1.00 0.00 H new ATOM 444 N GLU A 29 -6.572 -8.663 7.398 1.00 0.00 N ATOM 445 CA GLU A 29 -7.241 -9.827 7.960 1.00 0.00 C ATOM 446 C GLU A 29 -7.009 -11.052 7.080 1.00 0.00 C ATOM 447 O GLU A 29 -6.894 -12.173 7.575 1.00 0.00 O ATOM 448 CB GLU A 29 -8.739 -9.560 8.102 1.00 0.00 C ATOM 449 CG GLU A 29 -9.517 -10.735 8.674 1.00 0.00 C ATOM 450 CD GLU A 29 -10.992 -10.430 8.842 1.00 0.00 C ATOM 451 OE1 GLU A 29 -11.376 -9.930 9.920 1.00 0.00 O ATOM 452 OE2 GLU A 29 -11.764 -10.692 7.895 1.00 0.00 O ATOM 0 H GLU A 29 -7.204 -7.955 7.025 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.823 -10.022 8.947 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.885 -8.692 8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.148 -9.306 7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.400 -11.597 8.018 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.094 -11.010 9.640 1.00 0.00 H new ATOM 459 N SER A 30 -6.943 -10.821 5.772 1.00 0.00 N ATOM 460 CA SER A 30 -6.729 -11.896 4.809 1.00 0.00 C ATOM 461 C SER A 30 -5.341 -12.512 4.962 1.00 0.00 C ATOM 462 O SER A 30 -5.073 -13.593 4.437 1.00 0.00 O ATOM 463 CB SER A 30 -6.910 -11.371 3.384 1.00 0.00 C ATOM 464 OG SER A 30 -6.608 -12.372 2.427 1.00 0.00 O ATOM 0 H SER A 30 -7.035 -9.895 5.354 1.00 0.00 H new ATOM 0 HA SER A 30 -7.468 -12.672 5.006 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.936 -11.031 3.247 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.264 -10.507 3.227 1.00 0.00 H new ATOM 0 HG SER A 30 -6.128 -13.107 2.863 1.00 0.00 H new ATOM 470 N LEU A 31 -4.458 -11.821 5.680 1.00 0.00 N ATOM 471 CA LEU A 31 -3.100 -12.311 5.898 1.00 0.00 C ATOM 472 C LEU A 31 -3.112 -13.586 6.736 1.00 0.00 C ATOM 473 O LEU A 31 -2.090 -14.259 6.875 1.00 0.00 O ATOM 474 CB LEU A 31 -2.248 -11.242 6.586 1.00 0.00 C ATOM 475 CG LEU A 31 -2.029 -9.961 5.778 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.292 -8.926 6.613 1.00 0.00 C ATOM 477 CD2 LEU A 31 -1.257 -10.258 4.501 1.00 0.00 C ATOM 0 H LEU A 31 -4.658 -10.923 6.119 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.664 -12.538 4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.720 -10.979 7.533 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.275 -11.673 6.823 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.004 -9.557 5.505 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.144 -8.021 6.024 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.879 -8.689 7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.323 -9.325 6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.112 -9.334 3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.287 -10.686 4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.819 -10.967 3.893 1.00 0.00 H new ATOM 489 N SER A 32 -4.275 -13.911 7.293 1.00 0.00 N ATOM 490 CA SER A 32 -4.422 -15.104 8.119 1.00 0.00 C ATOM 491 C SER A 32 -5.341 -16.123 7.452 1.00 0.00 C ATOM 492 O SER A 32 -5.773 -17.089 8.082 1.00 0.00 O ATOM 493 CB SER A 32 -4.974 -14.732 9.497 1.00 0.00 C ATOM 494 OG SER A 32 -4.128 -13.805 10.153 1.00 0.00 O ATOM 0 H SER A 32 -5.130 -13.364 7.187 1.00 0.00 H new ATOM 0 HA SER A 32 -3.436 -15.554 8.237 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.971 -14.306 9.389 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.075 -15.630 10.106 1.00 0.00 H new ATOM 0 HG SER A 32 -4.504 -13.583 11.030 1.00 0.00 H new ATOM 500 N ASN A 33 -5.637 -15.906 6.173 1.00 0.00 N ATOM 501 CA ASN A 33 -6.504 -16.808 5.429 1.00 0.00 C ATOM 502 C ASN A 33 -5.743 -18.057 4.994 1.00 0.00 C ATOM 503 O ASN A 33 -4.566 -17.986 4.640 1.00 0.00 O ATOM 504 CB ASN A 33 -7.087 -16.099 4.204 1.00 0.00 C ATOM 505 CG ASN A 33 -8.157 -16.924 3.518 1.00 0.00 C ATOM 506 OD1 ASN A 33 -8.328 -16.853 2.302 1.00 0.00 O ATOM 507 ND2 ASN A 33 -8.889 -17.710 4.300 1.00 0.00 N ATOM 0 H ASN A 33 -5.289 -15.114 5.633 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.320 -17.110 6.086 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.509 -15.141 4.508 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.287 -15.885 3.496 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.628 -18.286 3.896 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.712 -17.737 5.304 1.00 0.00 H new ATOM 514 N GLU A 34 -6.425 -19.199 5.020 1.00 0.00 N ATOM 515 CA GLU A 34 -5.812 -20.465 4.630 1.00 0.00 C ATOM 516 C GLU A 34 -5.500 -20.486 3.137 1.00 0.00 C ATOM 517 O GLU A 34 -4.607 -21.206 2.690 1.00 0.00 O ATOM 518 CB GLU A 34 -6.734 -21.633 4.987 1.00 0.00 C ATOM 519 CG GLU A 34 -7.016 -21.758 6.476 1.00 0.00 C ATOM 520 CD GLU A 34 -7.922 -22.929 6.800 1.00 0.00 C ATOM 521 OE1 GLU A 34 -9.136 -22.837 6.522 1.00 0.00 O ATOM 522 OE2 GLU A 34 -7.416 -23.941 7.330 1.00 0.00 O ATOM 0 H GLU A 34 -7.401 -19.274 5.307 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.875 -20.568 5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.679 -21.514 4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.284 -22.560 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.074 -21.873 7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.476 -20.837 6.834 1.00 0.00 H new ATOM 529 N ASP A 35 -6.243 -19.694 2.368 1.00 0.00 N ATOM 530 CA ASP A 35 -6.042 -19.626 0.925 1.00 0.00 C ATOM 531 C ASP A 35 -4.984 -18.586 0.570 1.00 0.00 C ATOM 532 O ASP A 35 -4.989 -17.475 1.100 1.00 0.00 O ATOM 533 CB ASP A 35 -7.360 -19.295 0.218 1.00 0.00 C ATOM 534 CG ASP A 35 -8.430 -20.339 0.472 1.00 0.00 C ATOM 535 OD1 ASP A 35 -8.353 -21.427 -0.136 1.00 0.00 O ATOM 536 OD2 ASP A 35 -9.344 -20.069 1.279 1.00 0.00 O ATOM 0 H ASP A 35 -6.988 -19.092 2.720 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.693 -20.602 0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.717 -18.323 0.557 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.183 -19.213 -0.854 1.00 0.00 H new ATOM 541 N TRP A 36 -4.078 -18.956 -0.331 1.00 0.00 N ATOM 542 CA TRP A 36 -3.009 -18.058 -0.759 1.00 0.00 C ATOM 543 C TRP A 36 -3.502 -17.095 -1.833 1.00 0.00 C ATOM 544 O TRP A 36 -3.078 -15.941 -1.886 1.00 0.00 O ATOM 545 CB TRP A 36 -1.816 -18.864 -1.282 1.00 0.00 C ATOM 546 CG TRP A 36 -2.155 -19.749 -2.445 1.00 0.00 C ATOM 547 CD1 TRP A 36 -2.840 -20.930 -2.407 1.00 0.00 C ATOM 548 CD2 TRP A 36 -1.815 -19.527 -3.820 1.00 0.00 C ATOM 549 NE1 TRP A 36 -2.952 -21.451 -3.673 1.00 0.00 N ATOM 550 CE2 TRP A 36 -2.331 -20.610 -4.556 1.00 0.00 C ATOM 551 CE3 TRP A 36 -1.129 -18.518 -4.500 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -2.182 -20.712 -5.935 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -0.981 -18.622 -5.871 1.00 0.00 C ATOM 554 CH2 TRP A 36 -1.507 -19.713 -6.575 1.00 0.00 C ATOM 0 H TRP A 36 -4.063 -19.872 -0.779 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.692 -17.474 0.105 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.024 -18.176 -1.578 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.419 -19.477 -0.473 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.236 -21.387 -1.512 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.422 -22.323 -3.916 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.722 -17.673 -3.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.586 -21.552 -6.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.451 -17.849 -6.408 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.376 -19.765 -7.646 1.00 0.00 H new ATOM 565 N ARG A 37 -4.394 -17.580 -2.691 1.00 0.00 N ATOM 566 CA ARG A 37 -4.952 -16.769 -3.763 1.00 0.00 C ATOM 567 C ARG A 37 -5.657 -15.533 -3.209 1.00 0.00 C ATOM 568 O ARG A 37 -5.700 -14.488 -3.858 1.00 0.00 O ATOM 569 CB ARG A 37 -5.928 -17.608 -4.590 1.00 0.00 C ATOM 570 CG ARG A 37 -6.349 -16.946 -5.889 1.00 0.00 C ATOM 571 CD ARG A 37 -7.212 -17.872 -6.730 1.00 0.00 C ATOM 572 NE ARG A 37 -8.406 -18.312 -6.013 1.00 0.00 N ATOM 573 CZ ARG A 37 -8.856 -19.564 -6.029 1.00 0.00 C ATOM 574 NH1 ARG A 37 -8.202 -20.500 -6.705 1.00 0.00 N ATOM 575 NH2 ARG A 37 -9.959 -19.883 -5.365 1.00 0.00 N ATOM 0 H ARG A 37 -4.746 -18.537 -2.662 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.135 -16.431 -4.400 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.467 -18.570 -4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.816 -17.812 -3.992 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.900 -16.031 -5.671 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.464 -16.657 -6.455 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.508 -17.359 -7.645 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.627 -18.742 -7.027 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.924 -17.621 -5.470 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.351 -20.261 -7.215 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.550 -21.459 -6.715 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.464 -19.168 -4.841 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.303 -20.843 -5.378 1.00 0.00 H new ATOM 589 N ILE A 38 -6.212 -15.660 -2.007 1.00 0.00 N ATOM 590 CA ILE A 38 -6.913 -14.552 -1.366 1.00 0.00 C ATOM 591 C ILE A 38 -5.939 -13.611 -0.662 1.00 0.00 C ATOM 592 O ILE A 38 -6.087 -12.389 -0.722 1.00 0.00 O ATOM 593 CB ILE A 38 -7.946 -15.056 -0.339 1.00 0.00 C ATOM 594 CG1 ILE A 38 -8.908 -16.057 -0.990 1.00 0.00 C ATOM 595 CG2 ILE A 38 -8.712 -13.884 0.263 1.00 0.00 C ATOM 596 CD1 ILE A 38 -9.799 -15.449 -2.053 1.00 0.00 C ATOM 0 H ILE A 38 -6.190 -16.519 -1.457 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.429 -14.011 -2.159 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.415 -15.567 0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.329 -16.866 -1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.534 -16.501 -0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.438 -14.257 0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.015 -13.211 0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.233 -13.345 -0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.450 -16.219 -2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.406 -14.659 -1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.183 -15.030 -2.848 1.00 0.00 H new ATOM 608 N ARG A 39 -4.944 -14.188 0.006 1.00 0.00 N ATOM 609 CA ARG A 39 -3.952 -13.404 0.734 1.00 0.00 C ATOM 610 C ARG A 39 -3.134 -12.525 -0.205 1.00 0.00 C ATOM 611 O ARG A 39 -2.822 -11.381 0.121 1.00 0.00 O ATOM 612 CB ARG A 39 -3.019 -14.323 1.523 1.00 0.00 C ATOM 613 CG ARG A 39 -1.989 -13.571 2.347 1.00 0.00 C ATOM 614 CD ARG A 39 -1.052 -14.523 3.070 1.00 0.00 C ATOM 615 NE ARG A 39 -1.767 -15.395 3.996 1.00 0.00 N ATOM 616 CZ ARG A 39 -1.180 -16.343 4.718 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.130 -16.531 4.630 1.00 0.00 N ATOM 618 NH2 ARG A 39 -1.901 -17.101 5.531 1.00 0.00 N ATOM 0 H ARG A 39 -4.804 -15.197 0.058 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.491 -12.756 1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.614 -14.952 2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.504 -14.988 0.830 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.411 -12.914 1.697 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.496 -12.936 3.074 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.518 -15.130 2.339 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.303 -13.950 3.617 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.774 -15.270 4.094 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.688 -15.947 4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.579 -17.259 5.185 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.908 -16.957 5.603 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.449 -17.829 6.085 1.00 0.00 H new ATOM 632 N GLY A 40 -2.778 -13.067 -1.364 1.00 0.00 N ATOM 633 CA GLY A 40 -1.996 -12.308 -2.322 1.00 0.00 C ATOM 634 C GLY A 40 -2.695 -11.035 -2.755 1.00 0.00 C ATOM 635 O GLY A 40 -2.178 -9.937 -2.547 1.00 0.00 O ATOM 0 H GLY A 40 -3.016 -14.015 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.030 -12.058 -1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.798 -12.927 -3.197 1.00 0.00 H new ATOM 639 N ALA A 41 -3.875 -11.186 -3.353 1.00 0.00 N ATOM 640 CA ALA A 41 -4.658 -10.048 -3.819 1.00 0.00 C ATOM 641 C ALA A 41 -4.766 -8.972 -2.744 1.00 0.00 C ATOM 642 O ALA A 41 -4.914 -7.788 -3.053 1.00 0.00 O ATOM 643 CB ALA A 41 -6.044 -10.506 -4.248 1.00 0.00 C ATOM 0 H ALA A 41 -4.310 -12.092 -3.526 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.144 -9.614 -4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.620 -9.648 -4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.953 -11.232 -5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.553 -10.967 -3.402 1.00 0.00 H new ATOM 649 N ALA A 42 -4.692 -9.387 -1.483 1.00 0.00 N ATOM 650 CA ALA A 42 -4.774 -8.451 -0.369 1.00 0.00 C ATOM 651 C ALA A 42 -3.666 -7.409 -0.454 1.00 0.00 C ATOM 652 O ALA A 42 -3.934 -6.209 -0.482 1.00 0.00 O ATOM 653 CB ALA A 42 -4.709 -9.191 0.958 1.00 0.00 C ATOM 0 H ALA A 42 -4.576 -10.362 -1.208 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.732 -7.935 -0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.772 -8.475 1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.541 -9.892 1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.768 -9.737 1.024 1.00 0.00 H new ATOM 659 N ALA A 43 -2.417 -7.871 -0.505 1.00 0.00 N ATOM 660 CA ALA A 43 -1.277 -6.968 -0.589 1.00 0.00 C ATOM 661 C ALA A 43 -1.230 -6.263 -1.940 1.00 0.00 C ATOM 662 O ALA A 43 -0.676 -5.170 -2.061 1.00 0.00 O ATOM 663 CB ALA A 43 0.015 -7.724 -0.352 1.00 0.00 C ATOM 0 H ALA A 43 -2.173 -8.861 -0.490 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.393 -6.211 0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.857 -7.035 -0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.006 -8.178 0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.124 -8.504 -1.106 1.00 0.00 H new ATOM 669 N TRP A 44 -1.819 -6.895 -2.953 1.00 0.00 N ATOM 670 CA TRP A 44 -1.839 -6.341 -4.302 1.00 0.00 C ATOM 671 C TRP A 44 -2.437 -4.932 -4.336 1.00 0.00 C ATOM 672 O TRP A 44 -1.891 -4.039 -4.986 1.00 0.00 O ATOM 673 CB TRP A 44 -2.624 -7.266 -5.235 1.00 0.00 C ATOM 674 CG TRP A 44 -1.750 -8.249 -5.952 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.115 -9.325 -5.407 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.409 -8.244 -7.344 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.395 -9.985 -6.370 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.562 -9.345 -7.568 1.00 0.00 C ATOM 679 CE3 TRP A 44 -1.738 -7.419 -8.423 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.036 -9.640 -8.824 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.218 -7.713 -9.669 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.375 -8.815 -9.861 1.00 0.00 C ATOM 0 H TRP A 44 -2.290 -7.795 -2.863 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.806 -6.267 -4.642 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.372 -7.807 -4.656 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.162 -6.664 -5.967 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.171 -9.616 -4.368 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.173 -10.818 -6.218 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.387 -6.567 -8.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.615 -10.489 -8.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.466 -7.082 -10.510 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.015 -9.017 -10.848 1.00 0.00 H new ATOM 693 N ILE A 45 -3.555 -4.735 -3.642 1.00 0.00 N ATOM 694 CA ILE A 45 -4.222 -3.435 -3.622 1.00 0.00 C ATOM 695 C ILE A 45 -3.906 -2.637 -2.356 1.00 0.00 C ATOM 696 O ILE A 45 -4.048 -1.414 -2.333 1.00 0.00 O ATOM 697 CB ILE A 45 -5.752 -3.593 -3.742 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.105 -4.630 -4.815 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.403 -2.253 -4.059 1.00 0.00 C ATOM 700 CD1 ILE A 45 -5.531 -4.321 -6.183 1.00 0.00 C ATOM 0 H ILE A 45 -4.017 -5.456 -3.088 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.838 -2.886 -4.482 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.137 -3.946 -2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.745 -5.607 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.190 -4.700 -4.895 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.482 -2.383 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.182 -1.543 -3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.011 -1.872 -5.002 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.825 -5.101 -6.886 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.911 -3.359 -6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.444 -4.280 -6.121 1.00 0.00 H new ATOM 712 N ILE A 46 -3.478 -3.331 -1.306 1.00 0.00 N ATOM 713 CA ILE A 46 -3.169 -2.684 -0.031 1.00 0.00 C ATOM 714 C ILE A 46 -2.093 -1.605 -0.176 1.00 0.00 C ATOM 715 O ILE A 46 -2.092 -0.619 0.562 1.00 0.00 O ATOM 716 CB ILE A 46 -2.723 -3.720 1.027 1.00 0.00 C ATOM 717 CG1 ILE A 46 -3.185 -3.287 2.418 1.00 0.00 C ATOM 718 CG2 ILE A 46 -1.212 -3.914 1.002 1.00 0.00 C ATOM 719 CD1 ILE A 46 -3.047 -4.369 3.467 1.00 0.00 C ATOM 0 H ILE A 46 -3.337 -4.341 -1.311 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.089 -2.204 0.302 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.187 -4.676 0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.608 -2.416 2.728 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.228 -2.976 2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.927 -4.648 1.756 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.907 -4.268 0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.720 -2.965 1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.394 -3.990 4.428 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.647 -5.233 3.180 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.001 -4.665 3.549 1.00 0.00 H new ATOM 731 N GLY A 47 -1.183 -1.793 -1.126 1.00 0.00 N ATOM 732 CA GLY A 47 -0.115 -0.830 -1.331 1.00 0.00 C ATOM 733 C GLY A 47 -0.619 0.521 -1.804 1.00 0.00 C ATOM 734 O GLY A 47 0.103 1.516 -1.735 1.00 0.00 O ATOM 0 H GLY A 47 -1.165 -2.594 -1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.434 -0.701 -0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.589 -1.226 -2.063 1.00 0.00 H new ATOM 738 N ASN A 48 -1.854 0.556 -2.289 1.00 0.00 N ATOM 739 CA ASN A 48 -2.452 1.793 -2.785 1.00 0.00 C ATOM 740 C ASN A 48 -2.764 2.763 -1.647 1.00 0.00 C ATOM 741 O ASN A 48 -2.831 3.976 -1.856 1.00 0.00 O ATOM 742 CB ASN A 48 -3.736 1.491 -3.565 1.00 0.00 C ATOM 743 CG ASN A 48 -3.498 0.651 -4.809 1.00 0.00 C ATOM 744 OD1 ASN A 48 -2.609 -0.333 -4.710 1.00 0.00 O flip ATOM 745 ND2 ASN A 48 -4.122 0.874 -5.846 1.00 0.00 N flip ATOM 0 H ASN A 48 -2.464 -0.259 -2.350 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.725 2.263 -3.447 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.436 0.971 -2.912 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.207 2.430 -3.854 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.796 1.639 -5.881 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.965 0.294 -6.670 1.00 0.00 H new ATOM 752 N PHE A 49 -2.956 2.226 -0.447 1.00 0.00 N ATOM 753 CA PHE A 49 -3.288 3.042 0.717 1.00 0.00 C ATOM 754 C PHE A 49 -2.098 3.866 1.209 1.00 0.00 C ATOM 755 O PHE A 49 -2.281 4.894 1.864 1.00 0.00 O ATOM 756 CB PHE A 49 -3.822 2.154 1.844 1.00 0.00 C ATOM 757 CG PHE A 49 -5.117 1.471 1.499 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.137 0.396 0.623 1.00 0.00 C ATOM 759 CD2 PHE A 49 -6.315 1.907 2.045 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.325 -0.230 0.299 1.00 0.00 C ATOM 761 CE2 PHE A 49 -7.506 1.285 1.724 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.511 0.215 0.850 1.00 0.00 C ATOM 0 H PHE A 49 -2.887 1.227 -0.254 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.060 3.747 0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.075 1.399 2.088 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.966 2.760 2.738 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.213 0.044 0.189 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.317 2.743 2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.327 -1.066 -0.384 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.432 1.635 2.156 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.441 -0.273 0.598 1.00 0.00 H new ATOM 772 N GLN A 50 -0.885 3.419 0.897 1.00 0.00 N ATOM 773 CA GLN A 50 0.324 4.132 1.314 1.00 0.00 C ATOM 774 C GLN A 50 0.372 4.309 2.827 1.00 0.00 C ATOM 775 O GLN A 50 1.008 5.231 3.336 1.00 0.00 O ATOM 776 CB GLN A 50 0.395 5.500 0.637 1.00 0.00 C ATOM 777 CG GLN A 50 1.212 5.481 -0.634 1.00 0.00 C ATOM 778 CD GLN A 50 0.353 5.468 -1.884 1.00 0.00 C ATOM 779 OE1 GLN A 50 -0.004 6.519 -2.417 1.00 0.00 O ATOM 780 NE2 GLN A 50 0.017 4.276 -2.359 1.00 0.00 N ATOM 0 H GLN A 50 -0.711 2.570 0.359 1.00 0.00 H new ATOM 0 HA GLN A 50 1.181 3.531 1.010 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.615 5.841 0.410 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.826 6.222 1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.863 6.355 -0.655 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.857 4.603 -0.633 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.335 3.430 -1.886 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.559 4.205 -3.198 1.00 0.00 H new ATOM 789 N ASP A 51 -0.289 3.409 3.535 1.00 0.00 N ATOM 790 CA ASP A 51 -0.334 3.468 4.994 1.00 0.00 C ATOM 791 C ASP A 51 0.627 2.458 5.618 1.00 0.00 C ATOM 792 O ASP A 51 1.045 1.501 4.966 1.00 0.00 O ATOM 793 CB ASP A 51 -1.758 3.212 5.490 1.00 0.00 C ATOM 794 CG ASP A 51 -1.954 3.634 6.933 1.00 0.00 C ATOM 795 OD1 ASP A 51 -2.297 4.813 7.164 1.00 0.00 O ATOM 796 OD2 ASP A 51 -1.767 2.787 7.831 1.00 0.00 O ATOM 0 H ASP A 51 -0.803 2.628 3.128 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.022 4.467 5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.462 3.753 4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.989 2.151 5.390 1.00 0.00 H new ATOM 801 N GLU A 52 0.973 2.682 6.885 1.00 0.00 N ATOM 802 CA GLU A 52 1.882 1.793 7.604 1.00 0.00 C ATOM 803 C GLU A 52 1.252 0.417 7.790 1.00 0.00 C ATOM 804 O GLU A 52 1.938 -0.604 7.791 1.00 0.00 O ATOM 805 CB GLU A 52 2.248 2.389 8.964 1.00 0.00 C ATOM 806 CG GLU A 52 1.042 2.756 9.816 1.00 0.00 C ATOM 807 CD GLU A 52 1.432 3.300 11.175 1.00 0.00 C ATOM 808 OE1 GLU A 52 1.769 4.501 11.260 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.401 2.528 12.156 1.00 0.00 O ATOM 0 H GLU A 52 0.637 3.473 7.435 1.00 0.00 H new ATOM 0 HA GLU A 52 2.790 1.684 7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.863 1.674 9.510 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.856 3.280 8.808 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.443 3.499 9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.414 1.875 9.948 1.00 0.00 H new ATOM 816 N ARG A 53 -0.060 0.401 7.968 1.00 0.00 N ATOM 817 CA ARG A 53 -0.795 -0.842 8.141 1.00 0.00 C ATOM 818 C ARG A 53 -0.813 -1.636 6.837 1.00 0.00 C ATOM 819 O ARG A 53 -1.218 -2.799 6.809 1.00 0.00 O ATOM 820 CB ARG A 53 -2.223 -0.541 8.596 1.00 0.00 C ATOM 821 CG ARG A 53 -2.948 -1.733 9.194 1.00 0.00 C ATOM 822 CD ARG A 53 -4.009 -1.287 10.187 1.00 0.00 C ATOM 823 NE ARG A 53 -3.439 -0.505 11.280 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.167 0.195 12.145 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.489 0.225 12.033 1.00 0.00 N ATOM 826 NH2 ARG A 53 -3.574 0.867 13.122 1.00 0.00 N ATOM 0 H ARG A 53 -0.640 1.240 7.996 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.298 -1.442 8.903 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.196 0.261 9.333 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.794 -0.172 7.744 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.412 -2.316 8.399 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.231 -2.386 9.692 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.763 -0.693 9.670 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.517 -2.162 10.593 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.425 -0.495 11.386 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.949 -0.290 11.282 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.045 0.763 12.698 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.558 0.847 13.211 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.134 1.404 13.785 1.00 0.00 H new ATOM 840 N ALA A 54 -0.369 -0.993 5.758 1.00 0.00 N ATOM 841 CA ALA A 54 -0.353 -1.619 4.440 1.00 0.00 C ATOM 842 C ALA A 54 1.048 -2.055 4.012 1.00 0.00 C ATOM 843 O ALA A 54 1.193 -2.919 3.147 1.00 0.00 O ATOM 844 CB ALA A 54 -0.934 -0.663 3.411 1.00 0.00 C ATOM 0 H ALA A 54 -0.015 -0.036 5.773 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.963 -2.520 4.503 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.920 -1.134 2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.961 -0.418 3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.338 0.249 3.384 1.00 0.00 H new ATOM 850 N VAL A 55 2.079 -1.467 4.613 1.00 0.00 N ATOM 851 CA VAL A 55 3.456 -1.807 4.254 1.00 0.00 C ATOM 852 C VAL A 55 3.895 -3.144 4.848 1.00 0.00 C ATOM 853 O VAL A 55 4.644 -3.891 4.218 1.00 0.00 O ATOM 854 CB VAL A 55 4.453 -0.715 4.688 1.00 0.00 C ATOM 855 CG1 VAL A 55 4.236 0.557 3.882 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.335 -0.434 6.175 1.00 0.00 C ATOM 0 H VAL A 55 1.991 -0.760 5.343 1.00 0.00 H new ATOM 0 HA VAL A 55 3.464 -1.885 3.167 1.00 0.00 H new ATOM 0 HB VAL A 55 5.462 -1.079 4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.949 1.317 4.202 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.382 0.346 2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.221 0.921 4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.049 0.340 6.457 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.324 -0.096 6.402 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.547 -1.345 6.735 1.00 0.00 H new ATOM 866 N GLU A 56 3.435 -3.444 6.058 1.00 0.00 N ATOM 867 CA GLU A 56 3.799 -4.695 6.719 1.00 0.00 C ATOM 868 C GLU A 56 3.405 -5.912 5.874 1.00 0.00 C ATOM 869 O GLU A 56 4.237 -6.786 5.628 1.00 0.00 O ATOM 870 CB GLU A 56 3.171 -4.783 8.114 1.00 0.00 C ATOM 871 CG GLU A 56 3.372 -6.133 8.785 1.00 0.00 C ATOM 872 CD GLU A 56 2.928 -6.138 10.235 1.00 0.00 C ATOM 873 OE1 GLU A 56 3.756 -5.814 11.111 1.00 0.00 O ATOM 874 OE2 GLU A 56 1.750 -6.467 10.493 1.00 0.00 O ATOM 0 H GLU A 56 2.813 -2.843 6.599 1.00 0.00 H new ATOM 0 HA GLU A 56 4.883 -4.701 6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.598 -4.005 8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.103 -4.580 8.037 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.816 -6.893 8.236 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.425 -6.408 8.731 1.00 0.00 H new ATOM 881 N PRO A 57 2.134 -6.002 5.421 1.00 0.00 N ATOM 882 CA PRO A 57 1.677 -7.127 4.595 1.00 0.00 C ATOM 883 C PRO A 57 2.580 -7.359 3.390 1.00 0.00 C ATOM 884 O PRO A 57 2.630 -8.459 2.842 1.00 0.00 O ATOM 885 CB PRO A 57 0.284 -6.694 4.139 1.00 0.00 C ATOM 886 CG PRO A 57 -0.182 -5.752 5.192 1.00 0.00 C ATOM 887 CD PRO A 57 1.046 -5.036 5.678 1.00 0.00 C ATOM 0 HA PRO A 57 1.685 -8.067 5.147 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.319 -6.211 3.163 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.386 -7.549 4.047 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.911 -5.048 4.791 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.670 -6.287 6.007 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.204 -4.101 5.141 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.973 -4.787 6.737 1.00 0.00 H new ATOM 895 N LEU A 58 3.291 -6.312 2.985 1.00 0.00 N ATOM 896 CA LEU A 58 4.198 -6.400 1.849 1.00 0.00 C ATOM 897 C LEU A 58 5.515 -7.046 2.266 1.00 0.00 C ATOM 898 O LEU A 58 6.119 -7.799 1.503 1.00 0.00 O ATOM 899 CB LEU A 58 4.459 -5.006 1.267 1.00 0.00 C ATOM 900 CG LEU A 58 3.206 -4.183 0.954 1.00 0.00 C ATOM 901 CD1 LEU A 58 3.586 -2.800 0.448 1.00 0.00 C ATOM 902 CD2 LEU A 58 2.332 -4.899 -0.063 1.00 0.00 C ATOM 0 H LEU A 58 3.256 -5.393 3.427 1.00 0.00 H new ATOM 0 HA LEU A 58 3.731 -7.020 1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.075 -4.446 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.040 -5.115 0.351 1.00 0.00 H new ATOM 0 HG LEU A 58 2.636 -4.068 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.682 -2.231 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.168 -2.281 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.181 -2.896 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.448 -4.297 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.894 -5.048 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.027 -5.866 0.336 1.00 0.00 H new ATOM 914 N ILE A 59 5.946 -6.751 3.487 1.00 0.00 N ATOM 915 CA ILE A 59 7.194 -7.287 4.021 1.00 0.00 C ATOM 916 C ILE A 59 7.184 -8.814 4.078 1.00 0.00 C ATOM 917 O ILE A 59 8.080 -9.471 3.545 1.00 0.00 O ATOM 918 CB ILE A 59 7.468 -6.744 5.440 1.00 0.00 C ATOM 919 CG1 ILE A 59 7.588 -5.215 5.423 1.00 0.00 C ATOM 920 CG2 ILE A 59 8.725 -7.376 6.025 1.00 0.00 C ATOM 921 CD1 ILE A 59 8.767 -4.699 4.625 1.00 0.00 C ATOM 0 H ILE A 59 5.445 -6.139 4.131 1.00 0.00 H new ATOM 0 HA ILE A 59 7.982 -6.964 3.341 1.00 0.00 H new ATOM 0 HB ILE A 59 6.624 -7.012 6.075 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.671 -4.793 5.011 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.671 -4.856 6.449 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.900 -6.980 7.025 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.597 -8.457 6.080 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.579 -7.144 5.388 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.782 -3.610 4.662 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.692 -5.089 5.049 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.676 -5.026 3.589 1.00 0.00 H new ATOM 933 N LYS A 60 6.169 -9.370 4.730 1.00 0.00 N ATOM 934 CA LYS A 60 6.055 -10.818 4.891 1.00 0.00 C ATOM 935 C LYS A 60 5.730 -11.525 3.577 1.00 0.00 C ATOM 936 O LYS A 60 5.859 -12.745 3.478 1.00 0.00 O ATOM 937 CB LYS A 60 4.973 -11.142 5.923 1.00 0.00 C ATOM 938 CG LYS A 60 5.114 -10.366 7.224 1.00 0.00 C ATOM 939 CD LYS A 60 6.351 -10.790 8.003 1.00 0.00 C ATOM 940 CE LYS A 60 6.239 -12.226 8.489 1.00 0.00 C ATOM 941 NZ LYS A 60 7.402 -12.620 9.331 1.00 0.00 N ATOM 0 H LYS A 60 5.410 -8.839 5.158 1.00 0.00 H new ATOM 0 HA LYS A 60 7.024 -11.182 5.232 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.995 -10.931 5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.001 -12.209 6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.169 -9.299 7.007 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.227 -10.521 7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.233 -10.687 7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.490 -10.126 8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.319 -12.345 9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.169 -12.895 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.287 -13.606 9.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.278 -12.532 8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.455 -11.998 10.163 1.00 0.00 H new ATOM 955 N LEU A 61 5.310 -10.766 2.572 1.00 0.00 N ATOM 956 CA LEU A 61 4.942 -11.352 1.286 1.00 0.00 C ATOM 957 C LEU A 61 6.117 -11.447 0.313 1.00 0.00 C ATOM 958 O LEU A 61 6.133 -12.318 -0.558 1.00 0.00 O ATOM 959 CB LEU A 61 3.796 -10.561 0.660 1.00 0.00 C ATOM 960 CG LEU A 61 2.575 -11.399 0.284 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.041 -12.152 1.495 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.491 -10.528 -0.315 1.00 0.00 C ATOM 0 H LEU A 61 5.216 -9.751 2.620 1.00 0.00 H new ATOM 0 HA LEU A 61 4.620 -12.374 1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.485 -9.783 1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.165 -10.059 -0.234 1.00 0.00 H new ATOM 0 HG LEU A 61 2.885 -12.128 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.172 -12.741 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.815 -12.814 1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.753 -11.440 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.631 -11.145 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.189 -9.772 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.871 -10.039 -1.212 1.00 0.00 H new ATOM 974 N LEU A 62 7.096 -10.560 0.453 1.00 0.00 N ATOM 975 CA LEU A 62 8.260 -10.571 -0.425 1.00 0.00 C ATOM 976 C LEU A 62 9.075 -11.837 -0.212 1.00 0.00 C ATOM 977 O LEU A 62 9.996 -12.136 -0.971 1.00 0.00 O ATOM 978 CB LEU A 62 9.129 -9.343 -0.160 1.00 0.00 C ATOM 979 CG LEU A 62 8.441 -8.005 -0.415 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.035 -6.928 0.478 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.564 -7.618 -1.880 1.00 0.00 C ATOM 0 H LEU A 62 7.107 -9.827 1.163 1.00 0.00 H new ATOM 0 HA LEU A 62 7.914 -10.547 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.466 -9.371 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.019 -9.403 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 62 7.382 -8.104 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.535 -5.979 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.897 -7.205 1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.100 -6.826 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.068 -6.662 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.617 -7.532 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.094 -8.382 -2.499 1.00 0.00 H new ATOM 993 N GLU A 63 8.723 -12.577 0.830 1.00 0.00 N ATOM 994 CA GLU A 63 9.415 -13.810 1.162 1.00 0.00 C ATOM 995 C GLU A 63 8.451 -14.995 1.173 1.00 0.00 C ATOM 996 O GLU A 63 8.843 -16.122 1.471 1.00 0.00 O ATOM 997 CB GLU A 63 10.091 -13.666 2.524 1.00 0.00 C ATOM 998 CG GLU A 63 9.155 -13.184 3.620 1.00 0.00 C ATOM 999 CD GLU A 63 9.847 -13.056 4.963 1.00 0.00 C ATOM 1000 OE1 GLU A 63 9.899 -14.059 5.703 1.00 0.00 O ATOM 1001 OE2 GLU A 63 10.337 -11.949 5.275 1.00 0.00 O ATOM 0 H GLU A 63 7.958 -12.341 1.462 1.00 0.00 H new ATOM 0 HA GLU A 63 10.171 -14.000 0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.512 -14.628 2.815 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.923 -12.968 2.435 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.737 -12.218 3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.320 -13.878 3.711 1.00 0.00 H new ATOM 1008 N ASP A 64 7.187 -14.729 0.852 1.00 0.00 N ATOM 1009 CA ASP A 64 6.166 -15.773 0.824 1.00 0.00 C ATOM 1010 C ASP A 64 6.507 -16.852 -0.193 1.00 0.00 C ATOM 1011 O ASP A 64 6.184 -18.025 -0.010 1.00 0.00 O ATOM 1012 CB ASP A 64 4.794 -15.173 0.524 1.00 0.00 C ATOM 1013 CG ASP A 64 3.673 -16.177 0.709 1.00 0.00 C ATOM 1014 OD1 ASP A 64 3.788 -17.035 1.609 1.00 0.00 O ATOM 1015 OD2 ASP A 64 2.683 -16.106 -0.047 1.00 0.00 O ATOM 0 H ASP A 64 6.845 -13.799 0.608 1.00 0.00 H new ATOM 0 HA ASP A 64 6.137 -16.237 1.810 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.624 -14.317 1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.779 -14.800 -0.500 1.00 0.00 H new ATOM 1020 N ASP A 65 7.164 -16.435 -1.261 1.00 0.00 N ATOM 1021 CA ASP A 65 7.572 -17.342 -2.333 1.00 0.00 C ATOM 1022 C ASP A 65 6.401 -18.175 -2.856 1.00 0.00 C ATOM 1023 O ASP A 65 6.595 -19.291 -3.338 1.00 0.00 O ATOM 1024 CB ASP A 65 8.685 -18.271 -1.842 1.00 0.00 C ATOM 1025 CG ASP A 65 9.952 -17.521 -1.484 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.608 -16.990 -2.405 1.00 0.00 O ATOM 1027 OD2 ASP A 65 10.291 -17.466 -0.283 1.00 0.00 O ATOM 0 H ASP A 65 7.432 -15.463 -1.415 1.00 0.00 H new ATOM 0 HA ASP A 65 7.939 -16.728 -3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.335 -18.823 -0.970 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.908 -19.006 -2.616 1.00 0.00 H new ATOM 1032 N SER A 66 5.188 -17.634 -2.768 1.00 0.00 N ATOM 1033 CA SER A 66 4.006 -18.350 -3.247 1.00 0.00 C ATOM 1034 C SER A 66 3.802 -18.121 -4.741 1.00 0.00 C ATOM 1035 O SER A 66 3.198 -18.943 -5.432 1.00 0.00 O ATOM 1036 CB SER A 66 2.760 -17.904 -2.484 1.00 0.00 C ATOM 1037 OG SER A 66 1.698 -18.825 -2.659 1.00 0.00 O ATOM 0 H SER A 66 4.998 -16.713 -2.374 1.00 0.00 H new ATOM 0 HA SER A 66 4.167 -19.414 -3.073 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.993 -17.810 -1.423 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.451 -16.918 -2.831 1.00 0.00 H new ATOM 0 HG SER A 66 1.031 -18.443 -3.267 1.00 0.00 H new ATOM 1043 N GLY A 67 4.312 -16.996 -5.231 1.00 0.00 N ATOM 1044 CA GLY A 67 4.182 -16.660 -6.637 1.00 0.00 C ATOM 1045 C GLY A 67 3.608 -15.275 -6.837 1.00 0.00 C ATOM 1046 O GLY A 67 4.287 -14.283 -6.577 1.00 0.00 O ATOM 0 H GLY A 67 4.817 -16.306 -4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.159 -16.720 -7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.541 -17.393 -7.127 1.00 0.00 H new ATOM 1050 N PHE A 68 2.362 -15.193 -7.304 1.00 0.00 N ATOM 1051 CA PHE A 68 1.732 -13.895 -7.502 1.00 0.00 C ATOM 1052 C PHE A 68 1.683 -13.162 -6.171 1.00 0.00 C ATOM 1053 O PHE A 68 1.686 -11.933 -6.119 1.00 0.00 O ATOM 1054 CB PHE A 68 0.324 -14.040 -8.103 1.00 0.00 C ATOM 1055 CG PHE A 68 -0.797 -14.014 -7.095 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.397 -12.814 -6.727 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -1.259 -15.190 -6.524 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.432 -12.796 -5.812 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -2.291 -15.172 -5.609 1.00 0.00 C ATOM 1060 CZ PHE A 68 -2.878 -13.976 -5.253 1.00 0.00 C ATOM 0 H PHE A 68 1.781 -15.995 -7.547 1.00 0.00 H new ATOM 0 HA PHE A 68 2.323 -13.318 -8.213 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.166 -13.236 -8.822 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.275 -14.978 -8.657 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.050 -11.888 -7.161 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.806 -16.131 -6.799 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.892 -11.859 -5.534 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.640 -16.096 -5.171 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.686 -13.963 -4.537 1.00 0.00 H new ATOM 1070 N VAL A 69 1.645 -13.941 -5.093 1.00 0.00 N ATOM 1071 CA VAL A 69 1.618 -13.390 -3.749 1.00 0.00 C ATOM 1072 C VAL A 69 2.938 -12.693 -3.447 1.00 0.00 C ATOM 1073 O VAL A 69 2.975 -11.681 -2.748 1.00 0.00 O ATOM 1074 CB VAL A 69 1.364 -14.488 -2.699 1.00 0.00 C ATOM 1075 CG1 VAL A 69 1.107 -13.877 -1.333 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.200 -15.371 -3.121 1.00 0.00 C ATOM 0 H VAL A 69 1.632 -14.960 -5.129 1.00 0.00 H new ATOM 0 HA VAL A 69 0.801 -12.670 -3.698 1.00 0.00 H new ATOM 0 HB VAL A 69 2.257 -15.109 -2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.930 -14.670 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.974 -13.292 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.232 -13.229 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.035 -16.141 -2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.699 -14.764 -3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.429 -15.842 -4.077 1.00 0.00 H new ATOM 1086 N ARG A 70 4.020 -13.245 -3.989 1.00 0.00 N ATOM 1087 CA ARG A 70 5.345 -12.676 -3.800 1.00 0.00 C ATOM 1088 C ARG A 70 5.509 -11.435 -4.672 1.00 0.00 C ATOM 1089 O ARG A 70 5.938 -10.382 -4.202 1.00 0.00 O ATOM 1090 CB ARG A 70 6.425 -13.707 -4.143 1.00 0.00 C ATOM 1091 CG ARG A 70 7.844 -13.189 -3.963 1.00 0.00 C ATOM 1092 CD ARG A 70 8.863 -14.149 -4.557 1.00 0.00 C ATOM 1093 NE ARG A 70 8.555 -14.478 -5.947 1.00 0.00 N ATOM 1094 CZ ARG A 70 9.398 -15.103 -6.765 1.00 0.00 C ATOM 1095 NH1 ARG A 70 10.602 -15.459 -6.338 1.00 0.00 N ATOM 1096 NH2 ARG A 70 9.037 -15.370 -8.012 1.00 0.00 N ATOM 0 H ARG A 70 4.002 -14.088 -4.563 1.00 0.00 H new ATOM 0 HA ARG A 70 5.457 -12.392 -2.753 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.287 -14.587 -3.515 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.293 -14.028 -5.176 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.940 -12.213 -4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.050 -13.048 -2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.857 -13.704 -4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.889 -15.064 -3.964 1.00 0.00 H new ATOM 0 HE ARG A 70 7.640 -14.213 -6.312 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.884 -15.254 -5.380 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.246 -15.938 -6.968 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.113 -15.096 -8.345 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.684 -15.849 -8.639 1.00 0.00 H new ATOM 1110 N SER A 71 5.163 -11.576 -5.949 1.00 0.00 N ATOM 1111 CA SER A 71 5.252 -10.476 -6.902 1.00 0.00 C ATOM 1112 C SER A 71 4.249 -9.379 -6.565 1.00 0.00 C ATOM 1113 O SER A 71 4.407 -8.231 -6.978 1.00 0.00 O ATOM 1114 CB SER A 71 5.009 -10.985 -8.324 1.00 0.00 C ATOM 1115 OG SER A 71 5.973 -11.955 -8.690 1.00 0.00 O ATOM 0 H SER A 71 4.816 -12.448 -6.349 1.00 0.00 H new ATOM 0 HA SER A 71 6.256 -10.056 -6.839 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.010 -11.416 -8.394 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.045 -10.150 -9.024 1.00 0.00 H new ATOM 0 HG SER A 71 6.870 -11.567 -8.620 1.00 0.00 H new ATOM 1121 N GLY A 72 3.214 -9.743 -5.815 1.00 0.00 N ATOM 1122 CA GLY A 72 2.198 -8.780 -5.436 1.00 0.00 C ATOM 1123 C GLY A 72 2.755 -7.665 -4.582 1.00 0.00 C ATOM 1124 O GLY A 72 2.733 -6.499 -4.976 1.00 0.00 O ATOM 0 H GLY A 72 3.061 -10.688 -5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.749 -8.357 -6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.403 -9.289 -4.891 1.00 0.00 H new ATOM 1128 N ALA A 73 3.245 -8.022 -3.402 1.00 0.00 N ATOM 1129 CA ALA A 73 3.824 -7.048 -2.489 1.00 0.00 C ATOM 1130 C ALA A 73 4.938 -6.257 -3.164 1.00 0.00 C ATOM 1131 O ALA A 73 5.228 -5.125 -2.783 1.00 0.00 O ATOM 1132 CB ALA A 73 4.359 -7.750 -1.255 1.00 0.00 C ATOM 0 H ALA A 73 3.252 -8.981 -3.055 1.00 0.00 H new ATOM 0 HA ALA A 73 3.041 -6.348 -2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.791 -7.014 -0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.545 -8.273 -0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.126 -8.467 -1.548 1.00 0.00 H new ATOM 1138 N ALA A 74 5.555 -6.864 -4.172 1.00 0.00 N ATOM 1139 CA ALA A 74 6.643 -6.227 -4.901 1.00 0.00 C ATOM 1140 C ALA A 74 6.181 -4.947 -5.592 1.00 0.00 C ATOM 1141 O ALA A 74 6.719 -3.867 -5.345 1.00 0.00 O ATOM 1142 CB ALA A 74 7.225 -7.194 -5.919 1.00 0.00 C ATOM 0 H ALA A 74 5.318 -7.799 -4.503 1.00 0.00 H new ATOM 0 HA ALA A 74 7.415 -5.955 -4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.038 -6.708 -6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.607 -8.077 -5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.448 -7.492 -6.624 1.00 0.00 H new ATOM 1148 N ARG A 75 5.181 -5.075 -6.462 1.00 0.00 N ATOM 1149 CA ARG A 75 4.650 -3.929 -7.194 1.00 0.00 C ATOM 1150 C ARG A 75 4.003 -2.920 -6.251 1.00 0.00 C ATOM 1151 O ARG A 75 4.113 -1.712 -6.452 1.00 0.00 O ATOM 1152 CB ARG A 75 3.627 -4.388 -8.236 1.00 0.00 C ATOM 1153 CG ARG A 75 2.488 -5.208 -7.650 1.00 0.00 C ATOM 1154 CD ARG A 75 1.357 -5.389 -8.648 1.00 0.00 C ATOM 1155 NE ARG A 75 1.847 -5.784 -9.966 1.00 0.00 N ATOM 1156 CZ ARG A 75 2.407 -6.961 -10.223 1.00 0.00 C ATOM 1157 NH1 ARG A 75 2.550 -7.858 -9.257 1.00 0.00 N ATOM 1158 NH2 ARG A 75 2.826 -7.243 -11.449 1.00 0.00 N ATOM 0 H ARG A 75 4.723 -5.961 -6.677 1.00 0.00 H new ATOM 0 HA ARG A 75 5.486 -3.443 -7.698 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.213 -3.513 -8.737 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.136 -4.980 -8.997 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.863 -6.184 -7.343 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.108 -4.716 -6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.664 -6.145 -8.278 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.797 -4.458 -8.734 1.00 0.00 H new ATOM 0 HE ARG A 75 1.754 -5.118 -10.733 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.229 -7.646 -8.312 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.980 -8.760 -9.459 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.718 -6.556 -12.195 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.256 -8.147 -11.646 1.00 0.00 H new ATOM 1172 N SER A 76 3.328 -3.426 -5.223 1.00 0.00 N ATOM 1173 CA SER A 76 2.656 -2.572 -4.250 1.00 0.00 C ATOM 1174 C SER A 76 3.628 -1.577 -3.625 1.00 0.00 C ATOM 1175 O SER A 76 3.276 -0.426 -3.371 1.00 0.00 O ATOM 1176 CB SER A 76 2.005 -3.427 -3.163 1.00 0.00 C ATOM 1177 OG SER A 76 1.102 -4.362 -3.730 1.00 0.00 O ATOM 0 H SER A 76 3.232 -4.425 -5.042 1.00 0.00 H new ATOM 0 HA SER A 76 1.884 -2.006 -4.771 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.775 -3.954 -2.599 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.476 -2.786 -2.458 1.00 0.00 H new ATOM 0 HG SER A 76 0.468 -4.661 -3.045 1.00 0.00 H new ATOM 1183 N LEU A 77 4.849 -2.032 -3.370 1.00 0.00 N ATOM 1184 CA LEU A 77 5.878 -1.175 -2.786 1.00 0.00 C ATOM 1185 C LEU A 77 6.329 -0.119 -3.786 1.00 0.00 C ATOM 1186 O LEU A 77 6.215 1.079 -3.528 1.00 0.00 O ATOM 1187 CB LEU A 77 7.071 -2.013 -2.339 1.00 0.00 C ATOM 1188 CG LEU A 77 6.789 -2.955 -1.170 1.00 0.00 C ATOM 1189 CD1 LEU A 77 7.734 -4.140 -1.205 1.00 0.00 C ATOM 1190 CD2 LEU A 77 6.914 -2.213 0.153 1.00 0.00 C ATOM 0 H LEU A 77 5.152 -2.988 -3.557 1.00 0.00 H new ATOM 0 HA LEU A 77 5.452 -0.672 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.421 -2.603 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.884 -1.343 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 77 5.768 -3.325 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.520 -4.801 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.600 -4.685 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.763 -3.787 -1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.710 -2.899 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.924 -1.816 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.197 -1.392 0.179 1.00 0.00 H new ATOM 1202 N GLU A 78 6.854 -0.570 -4.925 1.00 0.00 N ATOM 1203 CA GLU A 78 7.293 0.339 -5.978 1.00 0.00 C ATOM 1204 C GLU A 78 6.178 1.320 -6.315 1.00 0.00 C ATOM 1205 O GLU A 78 6.425 2.430 -6.787 1.00 0.00 O ATOM 1206 CB GLU A 78 7.691 -0.453 -7.224 1.00 0.00 C ATOM 1207 CG GLU A 78 8.679 -1.573 -6.939 1.00 0.00 C ATOM 1208 CD GLU A 78 9.123 -2.293 -8.197 1.00 0.00 C ATOM 1209 OE1 GLU A 78 10.099 -1.838 -8.830 1.00 0.00 O ATOM 1210 OE2 GLU A 78 8.494 -3.313 -8.550 1.00 0.00 O ATOM 0 H GLU A 78 6.985 -1.559 -5.140 1.00 0.00 H new ATOM 0 HA GLU A 78 8.160 0.897 -5.625 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.795 -0.876 -7.678 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.127 0.229 -7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.552 -1.162 -6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.223 -2.290 -6.256 1.00 0.00 H new ATOM 1217 N GLN A 79 4.949 0.889 -6.061 1.00 0.00 N ATOM 1218 CA GLN A 79 3.770 1.704 -6.306 1.00 0.00 C ATOM 1219 C GLN A 79 3.717 2.853 -5.307 1.00 0.00 C ATOM 1220 O GLN A 79 3.434 3.996 -5.668 1.00 0.00 O ATOM 1221 CB GLN A 79 2.521 0.832 -6.189 1.00 0.00 C ATOM 1222 CG GLN A 79 1.211 1.588 -6.304 1.00 0.00 C ATOM 1223 CD GLN A 79 0.025 0.718 -5.938 1.00 0.00 C ATOM 1224 OE1 GLN A 79 0.252 -0.244 -5.046 1.00 0.00 O flip ATOM 1225 NE2 GLN A 79 -1.078 0.905 -6.452 1.00 0.00 N flip ATOM 0 H GLN A 79 4.743 -0.035 -5.680 1.00 0.00 H new ATOM 0 HA GLN A 79 3.816 2.125 -7.311 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.554 0.067 -6.965 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.544 0.314 -5.230 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.237 2.461 -5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.092 1.955 -7.323 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.203 1.656 -7.131 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.866 0.309 -6.199 1.00 0.00 H new ATOM 1234 N ILE A 80 3.990 2.533 -4.044 1.00 0.00 N ATOM 1235 CA ILE A 80 4.001 3.530 -2.983 1.00 0.00 C ATOM 1236 C ILE A 80 4.997 4.637 -3.311 1.00 0.00 C ATOM 1237 O ILE A 80 4.632 5.810 -3.401 1.00 0.00 O ATOM 1238 CB ILE A 80 4.361 2.895 -1.622 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.216 2.002 -1.137 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.676 3.970 -0.588 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.555 1.197 0.101 1.00 0.00 C ATOM 0 H ILE A 80 4.207 1.586 -3.732 1.00 0.00 H new ATOM 0 HA ILE A 80 2.999 3.952 -2.912 1.00 0.00 H new ATOM 0 HB ILE A 80 5.252 2.281 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.345 2.624 -0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.935 1.319 -1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.927 3.499 0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.521 4.568 -0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.806 4.613 -0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.697 0.589 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.406 0.549 -0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.807 1.874 0.917 1.00 0.00 H new ATOM 1253 N GLY A 81 6.256 4.250 -3.492 1.00 0.00 N ATOM 1254 CA GLY A 81 7.292 5.211 -3.819 1.00 0.00 C ATOM 1255 C GLY A 81 7.634 6.127 -2.661 1.00 0.00 C ATOM 1256 O GLY A 81 6.744 6.639 -1.982 1.00 0.00 O ATOM 0 H GLY A 81 6.577 3.285 -3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.190 4.678 -4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.967 5.813 -4.668 1.00 0.00 H new ATOM 1260 N GLY A 82 8.927 6.335 -2.436 1.00 0.00 N ATOM 1261 CA GLY A 82 9.359 7.200 -1.357 1.00 0.00 C ATOM 1262 C GLY A 82 10.314 6.515 -0.401 1.00 0.00 C ATOM 1263 O GLY A 82 10.579 5.318 -0.525 1.00 0.00 O ATOM 0 H GLY A 82 9.682 5.920 -2.982 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.843 8.082 -1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.486 7.547 -0.804 1.00 0.00 H new ATOM 1267 N GLU A 83 10.834 7.282 0.552 1.00 0.00 N ATOM 1268 CA GLU A 83 11.760 6.753 1.546 1.00 0.00 C ATOM 1269 C GLU A 83 11.087 5.668 2.381 1.00 0.00 C ATOM 1270 O GLU A 83 11.753 4.814 2.966 1.00 0.00 O ATOM 1271 CB GLU A 83 12.256 7.886 2.449 1.00 0.00 C ATOM 1272 CG GLU A 83 13.136 7.421 3.599 1.00 0.00 C ATOM 1273 CD GLU A 83 14.398 6.725 3.128 1.00 0.00 C ATOM 1274 OE1 GLU A 83 15.355 7.430 2.742 1.00 0.00 O ATOM 1275 OE2 GLU A 83 14.432 5.477 3.148 1.00 0.00 O ATOM 0 H GLU A 83 10.629 8.276 0.657 1.00 0.00 H new ATOM 0 HA GLU A 83 12.612 6.310 1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.814 8.601 1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.395 8.416 2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.408 8.280 4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.567 6.742 4.234 1.00 0.00 H new ATOM 1282 N ARG A 84 9.758 5.712 2.426 1.00 0.00 N ATOM 1283 CA ARG A 84 8.980 4.740 3.187 1.00 0.00 C ATOM 1284 C ARG A 84 9.323 3.323 2.763 1.00 0.00 C ATOM 1285 O ARG A 84 9.833 2.528 3.552 1.00 0.00 O ATOM 1286 CB ARG A 84 7.475 4.969 2.992 1.00 0.00 C ATOM 1287 CG ARG A 84 7.077 6.426 2.814 1.00 0.00 C ATOM 1288 CD ARG A 84 7.077 6.836 1.347 1.00 0.00 C ATOM 1289 NE ARG A 84 6.918 8.278 1.187 1.00 0.00 N ATOM 1290 CZ ARG A 84 5.992 8.839 0.414 1.00 0.00 C ATOM 1291 NH1 ARG A 84 5.143 8.081 -0.266 1.00 0.00 N ATOM 1292 NH2 ARG A 84 5.915 10.160 0.325 1.00 0.00 N ATOM 0 H ARG A 84 9.196 6.413 1.943 1.00 0.00 H new ATOM 0 HA ARG A 84 9.231 4.874 4.239 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.145 4.406 2.119 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.944 4.563 3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.085 6.586 3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.766 7.062 3.369 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.010 6.519 0.881 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.270 6.321 0.826 1.00 0.00 H new ATOM 0 HE ARG A 84 7.554 8.891 1.697 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.199 7.065 -0.197 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.434 8.514 -0.858 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.566 10.745 0.849 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.205 10.591 -0.268 1.00 0.00 H new ATOM 1306 N VAL A 85 9.038 3.019 1.508 1.00 0.00 N ATOM 1307 CA VAL A 85 9.313 1.704 0.960 1.00 0.00 C ATOM 1308 C VAL A 85 10.811 1.486 0.803 1.00 0.00 C ATOM 1309 O VAL A 85 11.287 0.354 0.831 1.00 0.00 O ATOM 1310 CB VAL A 85 8.630 1.519 -0.408 1.00 0.00 C ATOM 1311 CG1 VAL A 85 7.135 1.302 -0.234 1.00 0.00 C ATOM 1312 CG2 VAL A 85 8.898 2.719 -1.303 1.00 0.00 C ATOM 0 H VAL A 85 8.614 3.670 0.847 1.00 0.00 H new ATOM 0 HA VAL A 85 8.912 0.971 1.660 1.00 0.00 H new ATOM 0 HB VAL A 85 9.050 0.634 -0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.670 1.173 -1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.965 0.410 0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.697 2.167 0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.408 2.572 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.506 3.620 -0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.972 2.827 -1.455 1.00 0.00 H new ATOM 1322 N ARG A 86 11.551 2.582 0.680 1.00 0.00 N ATOM 1323 CA ARG A 86 12.997 2.505 0.492 1.00 0.00 C ATOM 1324 C ARG A 86 13.664 1.708 1.608 1.00 0.00 C ATOM 1325 O ARG A 86 14.704 1.088 1.398 1.00 0.00 O ATOM 1326 CB ARG A 86 13.607 3.905 0.412 1.00 0.00 C ATOM 1327 CG ARG A 86 15.055 3.906 -0.051 1.00 0.00 C ATOM 1328 CD ARG A 86 15.581 5.320 -0.239 1.00 0.00 C ATOM 1329 NE ARG A 86 16.911 5.336 -0.845 1.00 0.00 N ATOM 1330 CZ ARG A 86 17.838 6.250 -0.568 1.00 0.00 C ATOM 1331 NH1 ARG A 86 17.599 7.192 0.337 1.00 0.00 N ATOM 1332 NH2 ARG A 86 19.009 6.218 -1.188 1.00 0.00 N ATOM 0 H ARG A 86 11.177 3.531 0.707 1.00 0.00 H new ATOM 0 HA ARG A 86 13.176 1.986 -0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.014 4.513 -0.271 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.546 4.376 1.393 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.672 3.382 0.679 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.138 3.358 -0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 86 14.890 5.883 -0.867 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.617 5.824 0.727 1.00 0.00 H new ATOM 0 HE ARG A 86 17.142 4.605 -1.518 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.702 7.217 0.823 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.312 7.891 0.546 1.00 0.00 H new ATOM 0 HH21 ARG A 86 19.201 5.492 -1.879 1.00 0.00 H new ATOM 0 HH22 ARG A 86 19.718 6.919 -0.975 1.00 0.00 H new ATOM 1346 N ALA A 87 13.062 1.719 2.792 1.00 0.00 N ATOM 1347 CA ALA A 87 13.609 0.992 3.931 1.00 0.00 C ATOM 1348 C ALA A 87 13.151 -0.461 3.913 1.00 0.00 C ATOM 1349 O ALA A 87 13.825 -1.342 4.446 1.00 0.00 O ATOM 1350 CB ALA A 87 13.202 1.663 5.234 1.00 0.00 C ATOM 0 H ALA A 87 12.197 2.222 2.988 1.00 0.00 H new ATOM 0 HA ALA A 87 14.696 1.008 3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.618 1.108 6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.581 2.685 5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.115 1.678 5.312 1.00 0.00 H new ATOM 1356 N ALA A 88 11.998 -0.698 3.296 1.00 0.00 N ATOM 1357 CA ALA A 88 11.441 -2.040 3.201 1.00 0.00 C ATOM 1358 C ALA A 88 12.246 -2.901 2.233 1.00 0.00 C ATOM 1359 O ALA A 88 12.574 -4.048 2.539 1.00 0.00 O ATOM 1360 CB ALA A 88 9.982 -1.975 2.775 1.00 0.00 C ATOM 0 H ALA A 88 11.431 0.025 2.854 1.00 0.00 H new ATOM 0 HA ALA A 88 11.497 -2.504 4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.577 -2.985 2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.414 -1.404 3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.908 -1.489 1.802 1.00 0.00 H new ATOM 1366 N MET A 89 12.562 -2.347 1.063 1.00 0.00 N ATOM 1367 CA MET A 89 13.333 -3.082 0.066 1.00 0.00 C ATOM 1368 C MET A 89 14.785 -3.225 0.495 1.00 0.00 C ATOM 1369 O MET A 89 15.407 -4.255 0.250 1.00 0.00 O ATOM 1370 CB MET A 89 13.259 -2.425 -1.315 1.00 0.00 C ATOM 1371 CG MET A 89 12.967 -0.940 -1.304 1.00 0.00 C ATOM 1372 SD MET A 89 11.280 -0.568 -1.828 1.00 0.00 S ATOM 1373 CE MET A 89 10.342 -1.786 -0.908 1.00 0.00 C ATOM 0 H MET A 89 12.298 -1.401 0.786 1.00 0.00 H new ATOM 0 HA MET A 89 12.886 -4.073 -0.009 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.206 -2.590 -1.830 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.487 -2.927 -1.898 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.128 -0.548 -0.300 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.670 -0.429 -1.962 1.00 0.00 H new ATOM 0 HE1 MET A 89 9.691 -2.335 -1.589 1.00 0.00 H new ATOM 0 HE2 MET A 89 11.027 -2.481 -0.421 1.00 0.00 H new ATOM 0 HE3 MET A 89 9.736 -1.285 -0.153 1.00 0.00 H new ATOM 1383 N GLU A 90 15.329 -2.186 1.123 1.00 0.00 N ATOM 1384 CA GLU A 90 16.707 -2.231 1.595 1.00 0.00 C ATOM 1385 C GLU A 90 16.898 -3.434 2.509 1.00 0.00 C ATOM 1386 O GLU A 90 17.945 -4.082 2.496 1.00 0.00 O ATOM 1387 CB GLU A 90 17.073 -0.946 2.340 1.00 0.00 C ATOM 1388 CG GLU A 90 17.476 0.199 1.422 1.00 0.00 C ATOM 1389 CD GLU A 90 17.833 1.459 2.186 1.00 0.00 C ATOM 1390 OE1 GLU A 90 16.915 2.250 2.488 1.00 0.00 O ATOM 1391 OE2 GLU A 90 19.031 1.653 2.484 1.00 0.00 O ATOM 0 H GLU A 90 14.841 -1.311 1.315 1.00 0.00 H new ATOM 0 HA GLU A 90 17.365 -2.323 0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.223 -0.633 2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.893 -1.156 3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.328 -0.108 0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.658 0.414 0.735 1.00 0.00 H new ATOM 1398 N LYS A 91 15.871 -3.723 3.303 1.00 0.00 N ATOM 1399 CA LYS A 91 15.906 -4.855 4.220 1.00 0.00 C ATOM 1400 C LYS A 91 15.571 -6.154 3.494 1.00 0.00 C ATOM 1401 O LYS A 91 15.908 -7.241 3.964 1.00 0.00 O ATOM 1402 CB LYS A 91 14.933 -4.631 5.378 1.00 0.00 C ATOM 1403 CG LYS A 91 15.568 -4.803 6.748 1.00 0.00 C ATOM 1404 CD LYS A 91 15.990 -6.243 6.995 1.00 0.00 C ATOM 1405 CE LYS A 91 16.840 -6.366 8.247 1.00 0.00 C ATOM 1406 NZ LYS A 91 18.120 -5.614 8.125 1.00 0.00 N ATOM 0 H LYS A 91 15.003 -3.187 3.329 1.00 0.00 H new ATOM 0 HA LYS A 91 16.917 -4.937 4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.517 -3.626 5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.101 -5.328 5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 91 16.437 -4.150 6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 91 14.861 -4.494 7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 91 15.105 -6.871 7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.550 -6.612 6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 91 16.280 -5.993 9.104 1.00 0.00 H new ATOM 0 HE3 LYS A 91 17.053 -7.417 8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 18.804 -5.979 8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 18.503 -5.733 7.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 17.948 -4.604 8.306 1.00 0.00 H new ATOM 1420 N LEU A 92 14.906 -6.037 2.348 1.00 0.00 N ATOM 1421 CA LEU A 92 14.537 -7.200 1.563 1.00 0.00 C ATOM 1422 C LEU A 92 15.715 -7.626 0.693 1.00 0.00 C ATOM 1423 O LEU A 92 15.844 -8.791 0.332 1.00 0.00 O ATOM 1424 CB LEU A 92 13.296 -6.881 0.717 1.00 0.00 C ATOM 1425 CG LEU A 92 13.289 -7.453 -0.700 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.073 -8.960 -0.674 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.213 -6.776 -1.536 1.00 0.00 C ATOM 0 H LEU A 92 14.614 -5.146 1.946 1.00 0.00 H new ATOM 0 HA LEU A 92 14.288 -8.031 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.416 -7.253 1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.194 -5.798 0.651 1.00 0.00 H new ATOM 0 HG LEU A 92 14.260 -7.257 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.072 -9.345 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.876 -9.433 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.116 -9.182 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.219 -7.193 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.238 -6.944 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.411 -5.705 -1.585 1.00 0.00 H new ATOM 1439 N ALA A 93 16.578 -6.667 0.374 1.00 0.00 N ATOM 1440 CA ALA A 93 17.760 -6.931 -0.438 1.00 0.00 C ATOM 1441 C ALA A 93 18.725 -7.849 0.298 1.00 0.00 C ATOM 1442 O ALA A 93 19.525 -8.553 -0.319 1.00 0.00 O ATOM 1443 CB ALA A 93 18.451 -5.625 -0.794 1.00 0.00 C ATOM 0 H ALA A 93 16.480 -5.695 0.667 1.00 0.00 H new ATOM 0 HA ALA A 93 17.444 -7.428 -1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.332 -5.833 -1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.765 -4.992 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.752 -5.112 0.119 1.00 0.00 H new ATOM 1449 N GLU A 94 18.640 -7.836 1.625 1.00 0.00 N ATOM 1450 CA GLU A 94 19.502 -8.663 2.458 1.00 0.00 C ATOM 1451 C GLU A 94 18.977 -10.090 2.507 1.00 0.00 C ATOM 1452 O GLU A 94 19.721 -11.033 2.780 1.00 0.00 O ATOM 1453 CB GLU A 94 19.579 -8.079 3.868 1.00 0.00 C ATOM 1454 CG GLU A 94 20.640 -8.723 4.743 1.00 0.00 C ATOM 1455 CD GLU A 94 22.021 -8.675 4.119 1.00 0.00 C ATOM 1456 OE1 GLU A 94 22.705 -7.641 4.272 1.00 0.00 O ATOM 1457 OE2 GLU A 94 22.420 -9.670 3.480 1.00 0.00 O ATOM 0 H GLU A 94 17.980 -7.259 2.146 1.00 0.00 H new ATOM 0 HA GLU A 94 20.503 -8.677 2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 94 19.780 -7.010 3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.608 -8.190 4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 94 20.664 -8.218 5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 94 20.367 -9.761 4.933 1.00 0.00 H new ATOM 1464 N THR A 95 17.685 -10.236 2.235 1.00 0.00 N ATOM 1465 CA THR A 95 17.038 -11.538 2.225 1.00 0.00 C ATOM 1466 C THR A 95 16.453 -11.793 0.849 1.00 0.00 C ATOM 1467 O THR A 95 15.620 -12.681 0.659 1.00 0.00 O ATOM 1468 CB THR A 95 15.918 -11.621 3.278 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.031 -10.505 3.139 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.499 -11.642 4.684 1.00 0.00 C ATOM 0 H THR A 95 17.062 -9.459 2.017 1.00 0.00 H new ATOM 0 HA THR A 95 17.786 -12.292 2.467 1.00 0.00 H new ATOM 0 HB THR A 95 15.365 -12.546 3.116 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.321 -10.566 3.811 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.689 -11.701 5.411 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.151 -12.509 4.795 1.00 0.00 H new ATOM 0 HG23 THR A 95 17.074 -10.732 4.854 1.00 0.00 H new ATOM 1478 N GLY A 96 16.913 -10.996 -0.108 1.00 0.00 N ATOM 1479 CA GLY A 96 16.438 -11.097 -1.468 1.00 0.00 C ATOM 1480 C GLY A 96 16.606 -12.475 -2.063 1.00 0.00 C ATOM 1481 O GLY A 96 17.695 -13.047 -2.044 1.00 0.00 O ATOM 0 H GLY A 96 17.617 -10.273 0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.383 -10.823 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.972 -10.375 -2.086 1.00 0.00 H new ATOM 1485 N THR A 97 15.513 -13.002 -2.592 1.00 0.00 N ATOM 1486 CA THR A 97 15.520 -14.314 -3.223 1.00 0.00 C ATOM 1487 C THR A 97 14.663 -14.306 -4.484 1.00 0.00 C ATOM 1488 O THR A 97 13.518 -13.853 -4.469 1.00 0.00 O ATOM 1489 CB THR A 97 15.014 -15.412 -2.266 1.00 0.00 C ATOM 1490 OG1 THR A 97 15.022 -16.682 -2.930 1.00 0.00 O ATOM 1491 CG2 THR A 97 13.607 -15.106 -1.770 1.00 0.00 C ATOM 0 H THR A 97 14.604 -12.539 -2.597 1.00 0.00 H new ATOM 0 HA THR A 97 16.554 -14.538 -3.485 1.00 0.00 H new ATOM 0 HB THR A 97 15.683 -15.442 -1.406 1.00 0.00 H new ATOM 0 HG1 THR A 97 14.701 -17.375 -2.315 1.00 0.00 H new ATOM 0 HG21 THR A 97 13.278 -15.898 -1.097 1.00 0.00 H new ATOM 0 HG22 THR A 97 13.608 -14.155 -1.238 1.00 0.00 H new ATOM 0 HG23 THR A 97 12.927 -15.046 -2.620 1.00 0.00 H new ATOM 1499 N GLY A 98 15.229 -14.807 -5.577 1.00 0.00 N ATOM 1500 CA GLY A 98 14.509 -14.846 -6.836 1.00 0.00 C ATOM 1501 C GLY A 98 14.086 -13.468 -7.312 1.00 0.00 C ATOM 1502 O GLY A 98 14.886 -12.532 -7.324 1.00 0.00 O ATOM 0 H GLY A 98 16.175 -15.187 -5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.138 -15.311 -7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.625 -15.475 -6.725 1.00 0.00 H new ATOM 1506 N PHE A 99 12.821 -13.347 -7.702 1.00 0.00 N ATOM 1507 CA PHE A 99 12.275 -12.083 -8.190 1.00 0.00 C ATOM 1508 C PHE A 99 12.156 -11.051 -7.068 1.00 0.00 C ATOM 1509 O PHE A 99 12.330 -9.853 -7.296 1.00 0.00 O ATOM 1510 CB PHE A 99 10.900 -12.330 -8.824 1.00 0.00 C ATOM 1511 CG PHE A 99 10.112 -11.077 -9.086 1.00 0.00 C ATOM 1512 CD1 PHE A 99 10.400 -10.276 -10.177 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.081 -10.705 -8.238 1.00 0.00 C ATOM 1514 CE1 PHE A 99 9.673 -9.125 -10.419 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.351 -9.556 -8.475 1.00 0.00 C ATOM 1516 CZ PHE A 99 8.648 -8.764 -9.566 1.00 0.00 C ATOM 0 H PHE A 99 12.149 -14.115 -7.690 1.00 0.00 H new ATOM 0 HA PHE A 99 12.960 -11.682 -8.937 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.036 -12.864 -9.764 1.00 0.00 H new ATOM 0 HB3 PHE A 99 10.321 -12.980 -8.168 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.201 -10.553 -10.846 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.845 -11.320 -7.382 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.906 -8.508 -11.274 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.549 -9.278 -7.807 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.080 -7.864 -9.752 1.00 0.00 H new ATOM 1526 N ALA A 100 11.862 -11.526 -5.863 1.00 0.00 N ATOM 1527 CA ALA A 100 11.696 -10.653 -4.700 1.00 0.00 C ATOM 1528 C ALA A 100 12.854 -9.668 -4.534 1.00 0.00 C ATOM 1529 O ALA A 100 12.655 -8.545 -4.074 1.00 0.00 O ATOM 1530 CB ALA A 100 11.546 -11.491 -3.440 1.00 0.00 C ATOM 0 H ALA A 100 11.732 -12.518 -5.662 1.00 0.00 H new ATOM 0 HA ALA A 100 10.794 -10.065 -4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.423 -10.834 -2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.671 -12.135 -3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.436 -12.105 -3.304 1.00 0.00 H new ATOM 1536 N ARG A 101 14.057 -10.085 -4.912 1.00 0.00 N ATOM 1537 CA ARG A 101 15.237 -9.233 -4.773 1.00 0.00 C ATOM 1538 C ARG A 101 15.338 -8.203 -5.890 1.00 0.00 C ATOM 1539 O ARG A 101 15.499 -7.011 -5.627 1.00 0.00 O ATOM 1540 CB ARG A 101 16.499 -10.079 -4.761 1.00 0.00 C ATOM 1541 CG ARG A 101 17.751 -9.289 -4.422 1.00 0.00 C ATOM 1542 CD ARG A 101 18.912 -10.204 -4.080 1.00 0.00 C ATOM 1543 NE ARG A 101 19.332 -11.006 -5.225 1.00 0.00 N ATOM 1544 CZ ARG A 101 20.348 -11.863 -5.192 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.041 -12.035 -4.074 1.00 0.00 N ATOM 1546 NH2 ARG A 101 20.671 -12.550 -6.280 1.00 0.00 N ATOM 0 H ARG A 101 14.243 -11.003 -5.316 1.00 0.00 H new ATOM 0 HA ARG A 101 15.134 -8.700 -3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.380 -10.885 -4.037 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.625 -10.544 -5.739 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.022 -8.656 -5.267 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.548 -8.627 -3.580 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.753 -9.607 -3.728 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.625 -10.864 -3.261 1.00 0.00 H new ATOM 0 HE ARG A 101 18.817 -10.903 -6.100 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.795 -11.509 -3.235 1.00 0.00 H new ATOM 0 HH12 ARG A 101 21.820 -12.693 -4.053 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.140 -12.421 -7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 101 21.450 -13.208 -6.255 1.00 0.00 H new ATOM 1560 N LYS A 102 15.267 -8.670 -7.138 1.00 0.00 N ATOM 1561 CA LYS A 102 15.352 -7.784 -8.298 1.00 0.00 C ATOM 1562 C LYS A 102 14.462 -6.563 -8.101 1.00 0.00 C ATOM 1563 O LYS A 102 14.677 -5.512 -8.704 1.00 0.00 O ATOM 1564 CB LYS A 102 14.939 -8.530 -9.566 1.00 0.00 C ATOM 1565 CG LYS A 102 15.098 -7.709 -10.835 1.00 0.00 C ATOM 1566 CD LYS A 102 14.562 -8.447 -12.052 1.00 0.00 C ATOM 1567 CE LYS A 102 13.047 -8.571 -12.009 1.00 0.00 C ATOM 1568 NZ LYS A 102 12.520 -9.340 -13.169 1.00 0.00 N ATOM 0 H LYS A 102 15.151 -9.656 -7.370 1.00 0.00 H new ATOM 0 HA LYS A 102 16.385 -7.452 -8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.536 -9.438 -9.654 1.00 0.00 H new ATOM 0 HB3 LYS A 102 13.898 -8.840 -9.472 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.572 -6.761 -10.723 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.151 -7.473 -10.987 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.859 -7.919 -12.958 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.008 -9.440 -12.101 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.749 -9.062 -11.083 1.00 0.00 H new ATOM 0 HE3 LYS A 102 12.601 -7.576 -12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.484 -9.402 -13.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.782 -8.858 -14.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 12.925 -10.298 -13.163 1.00 0.00 H new ATOM 1582 N VAL A 103 13.466 -6.725 -7.246 1.00 0.00 N ATOM 1583 CA VAL A 103 12.526 -5.665 -6.933 1.00 0.00 C ATOM 1584 C VAL A 103 13.181 -4.572 -6.090 1.00 0.00 C ATOM 1585 O VAL A 103 13.251 -3.416 -6.501 1.00 0.00 O ATOM 1586 CB VAL A 103 11.325 -6.244 -6.167 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.447 -5.135 -5.603 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.518 -7.163 -7.070 1.00 0.00 C ATOM 0 H VAL A 103 13.287 -7.598 -6.749 1.00 0.00 H new ATOM 0 HA VAL A 103 12.193 -5.224 -7.873 1.00 0.00 H new ATOM 0 HB VAL A 103 11.705 -6.826 -5.327 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.606 -5.574 -5.067 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.032 -4.520 -4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.074 -4.516 -6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.671 -7.566 -6.515 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.154 -6.601 -7.930 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.150 -7.982 -7.413 1.00 0.00 H new ATOM 1598 N ALA A 104 13.665 -4.957 -4.914 1.00 0.00 N ATOM 1599 CA ALA A 104 14.304 -4.026 -3.989 1.00 0.00 C ATOM 1600 C ALA A 104 15.444 -3.245 -4.636 1.00 0.00 C ATOM 1601 O ALA A 104 15.515 -2.019 -4.542 1.00 0.00 O ATOM 1602 CB ALA A 104 14.837 -4.794 -2.791 1.00 0.00 C ATOM 0 H ALA A 104 13.626 -5.918 -4.576 1.00 0.00 H new ATOM 0 HA ALA A 104 13.548 -3.303 -3.681 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.315 -4.101 -2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.013 -5.300 -2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.566 -5.532 -3.127 1.00 0.00 H new ATOM 1608 N VAL A 105 16.327 -3.976 -5.287 1.00 0.00 N ATOM 1609 CA VAL A 105 17.511 -3.406 -5.925 1.00 0.00 C ATOM 1610 C VAL A 105 17.173 -2.467 -7.078 1.00 0.00 C ATOM 1611 O VAL A 105 17.475 -1.275 -7.025 1.00 0.00 O ATOM 1612 CB VAL A 105 18.448 -4.513 -6.442 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.711 -3.911 -7.041 1.00 0.00 C ATOM 1614 CG2 VAL A 105 18.792 -5.484 -5.323 1.00 0.00 C ATOM 0 H VAL A 105 16.249 -4.988 -5.392 1.00 0.00 H new ATOM 0 HA VAL A 105 18.011 -2.823 -5.151 1.00 0.00 H new ATOM 0 HB VAL A 105 17.930 -5.064 -7.227 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.360 -4.710 -7.400 1.00 0.00 H new ATOM 0 HG12 VAL A 105 19.444 -3.258 -7.872 1.00 0.00 H new ATOM 0 HG13 VAL A 105 20.235 -3.333 -6.280 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.455 -6.260 -5.706 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.290 -4.947 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 105 17.878 -5.942 -4.945 1.00 0.00 H new ATOM 1624 N ASN A 106 16.550 -3.009 -8.118 1.00 0.00 N ATOM 1625 CA ASN A 106 16.205 -2.222 -9.296 1.00 0.00 C ATOM 1626 C ASN A 106 15.369 -1.002 -8.931 1.00 0.00 C ATOM 1627 O ASN A 106 15.637 0.104 -9.400 1.00 0.00 O ATOM 1628 CB ASN A 106 15.447 -3.087 -10.305 1.00 0.00 C ATOM 1629 CG ASN A 106 15.126 -2.339 -11.584 1.00 0.00 C ATOM 1630 OD1 ASN A 106 15.907 -2.349 -12.536 1.00 0.00 O ATOM 1631 ND2 ASN A 106 13.970 -1.686 -11.615 1.00 0.00 N ATOM 0 H ASN A 106 16.274 -3.989 -8.170 1.00 0.00 H new ATOM 0 HA ASN A 106 17.135 -1.872 -9.743 1.00 0.00 H new ATOM 0 HB2 ASN A 106 16.042 -3.968 -10.543 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.521 -3.441 -9.852 1.00 0.00 H new ATOM 0 HD21 ASN A 106 13.700 -1.167 -12.450 1.00 0.00 H new ATOM 0 HD22 ASN A 106 13.352 -1.704 -10.804 1.00 0.00 H new ATOM 1638 N TYR A 107 14.356 -1.203 -8.096 1.00 0.00 N ATOM 1639 CA TYR A 107 13.482 -0.123 -7.691 1.00 0.00 C ATOM 1640 C TYR A 107 14.238 0.993 -6.982 1.00 0.00 C ATOM 1641 O TYR A 107 13.925 2.168 -7.159 1.00 0.00 O ATOM 1642 CB TYR A 107 12.386 -0.648 -6.775 1.00 0.00 C ATOM 1643 CG TYR A 107 11.699 0.465 -6.034 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.749 1.270 -6.645 1.00 0.00 C ATOM 1645 CD2 TYR A 107 12.054 0.738 -4.730 1.00 0.00 C ATOM 1646 CE1 TYR A 107 10.163 2.315 -5.960 1.00 0.00 C ATOM 1647 CE2 TYR A 107 11.483 1.782 -4.039 1.00 0.00 C ATOM 1648 CZ TYR A 107 10.535 2.569 -4.657 1.00 0.00 C ATOM 1649 OH TYR A 107 9.965 3.617 -3.973 1.00 0.00 O ATOM 0 H TYR A 107 14.124 -2.109 -7.689 1.00 0.00 H new ATOM 0 HA TYR A 107 13.044 0.290 -8.599 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.653 -1.200 -7.364 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.815 -1.351 -6.060 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.465 1.077 -7.669 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.794 0.121 -4.242 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.417 2.930 -6.442 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.776 1.983 -3.019 1.00 0.00 H new ATOM 0 HH TYR A 107 10.170 4.458 -4.433 1.00 0.00 H new ATOM 1659 N LEU A 108 15.224 0.621 -6.178 1.00 0.00 N ATOM 1660 CA LEU A 108 15.992 1.594 -5.415 1.00 0.00 C ATOM 1661 C LEU A 108 16.487 2.735 -6.305 1.00 0.00 C ATOM 1662 O LEU A 108 16.704 3.850 -5.833 1.00 0.00 O ATOM 1663 CB LEU A 108 17.159 0.890 -4.706 1.00 0.00 C ATOM 1664 CG LEU A 108 18.552 1.138 -5.290 1.00 0.00 C ATOM 1665 CD1 LEU A 108 19.105 2.454 -4.779 1.00 0.00 C ATOM 1666 CD2 LEU A 108 19.489 -0.010 -4.941 1.00 0.00 C ATOM 0 H LEU A 108 15.511 -0.348 -6.037 1.00 0.00 H new ATOM 0 HA LEU A 108 15.342 2.039 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.164 1.203 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 108 16.969 -0.183 -4.716 1.00 0.00 H new ATOM 0 HG LEU A 108 18.472 1.193 -6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 108 20.096 2.620 -5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.443 3.267 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.174 2.422 -3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 108 20.475 0.183 -5.364 1.00 0.00 H new ATOM 0 HD22 LEU A 108 19.570 -0.097 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 108 19.094 -0.940 -5.351 1.00 0.00 H new ATOM 1678 N GLU A 109 16.632 2.460 -7.597 1.00 0.00 N ATOM 1679 CA GLU A 109 17.102 3.464 -8.546 1.00 0.00 C ATOM 1680 C GLU A 109 16.064 4.569 -8.761 1.00 0.00 C ATOM 1681 O GLU A 109 16.246 5.438 -9.614 1.00 0.00 O ATOM 1682 CB GLU A 109 17.440 2.806 -9.885 1.00 0.00 C ATOM 1683 CG GLU A 109 18.607 1.836 -9.807 1.00 0.00 C ATOM 1684 CD GLU A 109 18.911 1.183 -11.141 1.00 0.00 C ATOM 1685 OE1 GLU A 109 19.621 1.804 -11.959 1.00 0.00 O ATOM 1686 OE2 GLU A 109 18.440 0.048 -11.367 1.00 0.00 O ATOM 0 H GLU A 109 16.431 1.550 -8.012 1.00 0.00 H new ATOM 0 HA GLU A 109 17.998 3.920 -8.126 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.561 2.276 -10.252 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.672 3.583 -10.614 1.00 0.00 H new ATOM 0 HG2 GLU A 109 19.492 2.366 -9.456 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.384 1.064 -9.071 1.00 0.00 H new ATOM 1693 N THR A 110 14.981 4.536 -7.988 1.00 0.00 N ATOM 1694 CA THR A 110 13.927 5.538 -8.109 1.00 0.00 C ATOM 1695 C THR A 110 14.100 6.657 -7.084 1.00 0.00 C ATOM 1696 O THR A 110 14.455 7.782 -7.438 1.00 0.00 O ATOM 1697 CB THR A 110 12.527 4.914 -7.947 1.00 0.00 C ATOM 1698 OG1 THR A 110 12.419 4.266 -6.674 1.00 0.00 O ATOM 1699 CG2 THR A 110 12.253 3.911 -9.056 1.00 0.00 C ATOM 0 H THR A 110 14.811 3.828 -7.273 1.00 0.00 H new ATOM 0 HA THR A 110 14.012 5.957 -9.112 1.00 0.00 H new ATOM 0 HB THR A 110 11.789 5.714 -8.008 1.00 0.00 H new ATOM 0 HG1 THR A 110 12.654 3.319 -6.768 1.00 0.00 H new ATOM 0 HG21 THR A 110 11.260 3.483 -8.922 1.00 0.00 H new ATOM 0 HG22 THR A 110 12.304 4.413 -10.022 1.00 0.00 H new ATOM 0 HG23 THR A 110 12.998 3.116 -9.020 1.00 0.00 H new ATOM 1707 N HIS A 111 13.850 6.346 -5.813 1.00 0.00 N ATOM 1708 CA HIS A 111 13.982 7.332 -4.746 1.00 0.00 C ATOM 1709 C HIS A 111 15.390 7.310 -4.159 1.00 0.00 C ATOM 1710 O HIS A 111 16.184 8.213 -4.496 1.00 0.00 O ATOM 1711 CB HIS A 111 12.952 7.075 -3.640 1.00 0.00 C ATOM 1712 CG HIS A 111 12.949 8.131 -2.578 1.00 0.00 C ATOM 1713 ND1 HIS A 111 13.867 8.167 -1.549 1.00 0.00 N ATOM 1714 CD2 HIS A 111 12.134 9.197 -2.390 1.00 0.00 C ATOM 1715 CE1 HIS A 111 13.617 9.210 -0.776 1.00 0.00 C ATOM 1716 NE2 HIS A 111 12.572 9.850 -1.265 1.00 0.00 N ATOM 1717 OXT HIS A 111 15.687 6.389 -3.370 1.00 0.00 O ATOM 0 H HIS A 111 13.556 5.421 -5.499 1.00 0.00 H new ATOM 0 HA HIS A 111 13.798 8.316 -5.176 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.959 7.014 -4.085 1.00 0.00 H new ATOM 0 HB3 HIS A 111 13.156 6.108 -3.181 1.00 0.00 H new ATOM 0 HD2 HIS A 111 11.296 9.480 -3.010 1.00 0.00 H new ATOM 0 HE1 HIS A 111 14.174 9.491 0.106 1.00 0.00 H new ATOM 0 HE2 HIS A 111 12.157 10.694 -0.871 1.00 0.00 H new