USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 945 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 61 SER OG : rot 150:sc= -0.943 USER MOD Set 1.2: A 68 GLN : amide:sc= -2.01! C(o=-3!,f=-4.1!) USER MOD Set 1.3: A 86 LYS NZ :NH3+ -170:sc= 0 (180deg=0) USER MOD Set 2.1: A 32 MET CE :methyl -160:sc= -5.1! (180deg=-6.05!) USER MOD Set 2.2: A 34 CYS SG : rot -5:sc= -2.15! USER MOD Single : A 27 SER OG : rot 31:sc= 0.00279 USER MOD Single : A 28 ASN : amide:sc= -2.26 K(o=-2.3,f=-0.57) USER MOD Single : A 31 GLN : amide:sc= -6.61! C(o=-6.6!,f=-10!) USER MOD Single : A 33 GLN : amide:sc= -0.0865 K(o=-0.086,f=-1.7!) USER MOD Single : A 35 LYS NZ :NH3+ 139:sc= -1.43 (180deg=-4.51!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 92:sc= 0.931 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -3.08 K(o=-3.1,f=-0.74) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.21 K(o=-1.2,f=-7.7!) USER MOD Single : A 59 MET CE :methyl 166:sc= -5.63! (180deg=-6.44!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 160:sc= -0.0618 USER MOD Single : A 69 SER OG : rot 7:sc= -1.41 USER MOD Single : A 73 MET CE :methyl -116:sc= -0.277 (180deg=-2.96!) USER MOD Single : A 75 THR OG1 : rot -68:sc= -0.542 USER MOD Single : A 76 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.099) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -2.56! K(o=-2.6!,f=-1.4) USER MOD Single : A 85 THR OG1 : rot -160:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 91 MET CE :methyl 177:sc= -1.95 (180deg=-2.04) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 95 LYS NZ :NH3+ 161:sc= -1.55 (180deg=-3.25!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -3.2! K(o=-3.2!,f=-2.1) USER MOD Single : A 104 THR OG1 : rot -76:sc= 0.964 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.0347 X(o=-0.035,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 168:sc= 0.676 (180deg=0.571) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 THR OG1 : rot 121:sc= -0.464 USER MOD Single : A 127 GLN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 HIS : no HD1:sc=-0.00086 X(o=-0.00086,f=-0.26) USER MOD Single : A 134 HIS : no HE2:sc= -0.787 X(o=-0.79,f=-0.63) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 364 N SER A 27 0.437 5.073 -11.944 1.00 0.00 N ATOM 365 CA SER A 27 0.549 6.501 -11.665 1.00 0.00 C ATOM 366 C SER A 27 1.639 6.768 -10.631 1.00 0.00 C ATOM 367 O SER A 27 1.732 6.075 -9.619 1.00 0.00 O ATOM 368 CB SER A 27 -0.789 7.050 -11.166 1.00 0.00 C ATOM 369 OG SER A 27 -1.757 7.054 -12.201 1.00 0.00 O ATOM 0 HA SER A 27 0.819 7.008 -12.591 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.146 6.445 -10.333 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.652 8.063 -10.788 1.00 0.00 H new ATOM 0 HG SER A 27 -1.576 6.317 -12.821 1.00 0.00 H new ATOM 375 N ASN A 28 2.462 7.776 -10.896 1.00 0.00 N ATOM 376 CA ASN A 28 3.547 8.136 -9.990 1.00 0.00 C ATOM 377 C ASN A 28 3.716 9.650 -9.918 1.00 0.00 C ATOM 378 O ASN A 28 3.724 10.334 -10.942 1.00 0.00 O ATOM 379 CB ASN A 28 4.855 7.486 -10.444 1.00 0.00 C ATOM 380 CG ASN A 28 6.072 8.130 -9.809 1.00 0.00 C ATOM 381 OD1 ASN A 28 6.627 9.092 -10.338 1.00 0.00 O ATOM 382 ND2 ASN A 28 6.492 7.600 -8.665 1.00 0.00 N ATOM 0 H ASN A 28 2.399 8.359 -11.731 1.00 0.00 H new ATOM 0 HA ASN A 28 3.293 7.769 -8.995 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.836 6.425 -10.193 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.935 7.556 -11.529 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.305 7.991 -8.190 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.001 6.802 -8.262 1.00 0.00 H new ATOM 389 N VAL A 29 3.853 10.168 -8.701 1.00 0.00 N ATOM 390 CA VAL A 29 4.025 11.601 -8.496 1.00 0.00 C ATOM 391 C VAL A 29 5.447 11.926 -8.051 1.00 0.00 C ATOM 392 O VAL A 29 5.987 12.982 -8.384 1.00 0.00 O ATOM 393 CB VAL A 29 3.034 12.140 -7.446 1.00 0.00 C ATOM 394 CG1 VAL A 29 1.626 11.648 -7.740 1.00 0.00 C ATOM 395 CG2 VAL A 29 3.469 11.735 -6.046 1.00 0.00 C ATOM 0 H VAL A 29 3.848 9.617 -7.843 1.00 0.00 H new ATOM 0 HA VAL A 29 3.828 12.084 -9.453 1.00 0.00 H new ATOM 0 HB VAL A 29 3.031 13.229 -7.499 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.940 12.038 -6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.318 11.994 -8.727 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.609 10.558 -7.716 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.758 12.124 -5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.503 10.648 -5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.459 12.143 -5.840 1.00 0.00 H new ATOM 405 N LEU A 30 6.048 11.013 -7.296 1.00 0.00 N ATOM 406 CA LEU A 30 7.408 11.202 -6.805 1.00 0.00 C ATOM 407 C LEU A 30 8.060 9.861 -6.482 1.00 0.00 C ATOM 408 O LEU A 30 7.454 9.004 -5.841 1.00 0.00 O ATOM 409 CB LEU A 30 7.404 12.092 -5.561 1.00 0.00 C ATOM 410 CG LEU A 30 6.761 11.495 -4.310 1.00 0.00 C ATOM 411 CD1 LEU A 30 7.791 10.732 -3.493 1.00 0.00 C ATOM 412 CD2 LEU A 30 6.113 12.586 -3.469 1.00 0.00 C ATOM 0 H LEU A 30 5.615 10.135 -7.011 1.00 0.00 H new ATOM 0 HA LEU A 30 7.987 11.689 -7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.435 12.356 -5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.885 13.019 -5.804 1.00 0.00 H new ATOM 0 HG LEU A 30 5.985 10.797 -4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.315 10.314 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.208 9.925 -4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.590 11.409 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.660 12.142 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.870 13.310 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.344 13.089 -4.055 1.00 0.00 H new ATOM 424 N GLN A 31 9.301 9.691 -6.927 1.00 0.00 N ATOM 425 CA GLN A 31 10.036 8.454 -6.684 1.00 0.00 C ATOM 426 C GLN A 31 11.461 8.750 -6.229 1.00 0.00 C ATOM 427 O GLN A 31 12.157 9.568 -6.828 1.00 0.00 O ATOM 428 CB GLN A 31 10.060 7.593 -7.948 1.00 0.00 C ATOM 429 CG GLN A 31 10.958 6.371 -7.834 1.00 0.00 C ATOM 430 CD GLN A 31 10.952 5.524 -9.092 1.00 0.00 C ATOM 431 OE1 GLN A 31 9.997 4.793 -9.357 1.00 0.00 O ATOM 432 NE2 GLN A 31 12.021 5.618 -9.874 1.00 0.00 N ATOM 0 H GLN A 31 9.818 10.393 -7.457 1.00 0.00 H new ATOM 0 HA GLN A 31 9.526 7.907 -5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 31 9.045 7.268 -8.176 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.395 8.203 -8.787 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.978 6.692 -7.622 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.633 5.763 -6.990 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.789 6.237 -9.615 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.074 5.071 -10.734 1.00 0.00 H new ATOM 441 N MET A 32 11.887 8.079 -5.163 1.00 0.00 N ATOM 442 CA MET A 32 13.230 8.269 -4.628 1.00 0.00 C ATOM 443 C MET A 32 13.684 7.040 -3.848 1.00 0.00 C ATOM 444 O MET A 32 12.935 6.499 -3.034 1.00 0.00 O ATOM 445 CB MET A 32 13.272 9.504 -3.725 1.00 0.00 C ATOM 446 CG MET A 32 12.442 9.361 -2.460 1.00 0.00 C ATOM 447 SD MET A 32 13.385 8.678 -1.085 1.00 0.00 S ATOM 448 CE MET A 32 12.441 9.288 0.310 1.00 0.00 C ATOM 0 H MET A 32 11.322 7.400 -4.654 1.00 0.00 H new ATOM 0 HA MET A 32 13.910 8.417 -5.467 1.00 0.00 H new ATOM 0 HB2 MET A 32 14.307 9.707 -3.450 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.916 10.367 -4.287 1.00 0.00 H new ATOM 0 HG2 MET A 32 12.048 10.337 -2.176 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.585 8.718 -2.663 1.00 0.00 H new ATOM 0 HE1 MET A 32 13.061 9.266 1.206 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.123 10.312 0.114 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.564 8.658 0.459 1.00 0.00 H new ATOM 458 N GLN A 33 14.913 6.604 -4.101 1.00 0.00 N ATOM 459 CA GLN A 33 15.465 5.437 -3.422 1.00 0.00 C ATOM 460 C GLN A 33 15.557 5.675 -1.918 1.00 0.00 C ATOM 461 O GLN A 33 16.189 6.631 -1.469 1.00 0.00 O ATOM 462 CB GLN A 33 16.848 5.101 -3.983 1.00 0.00 C ATOM 463 CG GLN A 33 16.846 4.816 -5.476 1.00 0.00 C ATOM 464 CD GLN A 33 17.950 3.862 -5.888 1.00 0.00 C ATOM 465 OE1 GLN A 33 18.786 3.471 -5.073 1.00 0.00 O ATOM 466 NE2 GLN A 33 17.959 3.482 -7.161 1.00 0.00 N ATOM 0 H GLN A 33 15.546 7.041 -4.771 1.00 0.00 H new ATOM 0 HA GLN A 33 14.795 4.595 -3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 33 17.524 5.932 -3.781 1.00 0.00 H new ATOM 0 HB3 GLN A 33 17.243 4.232 -3.456 1.00 0.00 H new ATOM 0 HG2 GLN A 33 15.882 4.395 -5.761 1.00 0.00 H new ATOM 0 HG3 GLN A 33 16.958 5.753 -6.021 1.00 0.00 H new ATOM 0 HE21 GLN A 33 17.247 3.831 -7.802 1.00 0.00 H new ATOM 0 HE22 GLN A 33 18.678 2.842 -7.497 1.00 0.00 H new ATOM 475 N CYS A 34 14.922 4.800 -1.146 1.00 0.00 N ATOM 476 CA CYS A 34 14.930 4.915 0.308 1.00 0.00 C ATOM 477 C CYS A 34 15.099 3.547 0.961 1.00 0.00 C ATOM 478 O CYS A 34 15.277 2.539 0.277 1.00 0.00 O ATOM 479 CB CYS A 34 13.638 5.572 0.795 1.00 0.00 C ATOM 480 SG CYS A 34 13.833 6.562 2.296 1.00 0.00 S ATOM 0 H CYS A 34 14.395 4.003 -1.503 1.00 0.00 H new ATOM 0 HA CYS A 34 15.776 5.540 0.594 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.245 6.208 0.002 1.00 0.00 H new ATOM 0 HB3 CYS A 34 12.895 4.796 0.979 1.00 0.00 H new ATOM 0 HG CYS A 34 15.048 6.439 2.742 1.00 0.00 H new ATOM 486 N LYS A 35 15.043 3.521 2.287 1.00 0.00 N ATOM 487 CA LYS A 35 15.190 2.277 3.035 1.00 0.00 C ATOM 488 C LYS A 35 14.003 2.061 3.969 1.00 0.00 C ATOM 489 O LYS A 35 13.373 3.017 4.422 1.00 0.00 O ATOM 490 CB LYS A 35 16.490 2.293 3.842 1.00 0.00 C ATOM 491 CG LYS A 35 16.805 0.969 4.514 1.00 0.00 C ATOM 492 CD LYS A 35 18.230 0.935 5.040 1.00 0.00 C ATOM 493 CE LYS A 35 18.606 -0.449 5.545 1.00 0.00 C ATOM 494 NZ LYS A 35 19.122 -1.317 4.450 1.00 0.00 N ATOM 0 H LYS A 35 14.897 4.347 2.867 1.00 0.00 H new ATOM 0 HA LYS A 35 15.223 1.455 2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.315 2.561 3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.426 3.071 4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.109 0.803 5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.659 0.156 3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.918 1.234 4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.338 1.660 5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.363 -0.358 6.324 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.734 -0.919 6.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.934 -1.866 4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 18.372 -1.967 4.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.421 -0.725 3.649 1.00 0.00 H new ATOM 508 N LEU A 36 13.702 0.798 4.253 1.00 0.00 N ATOM 509 CA LEU A 36 12.591 0.455 5.134 1.00 0.00 C ATOM 510 C LEU A 36 13.093 -0.231 6.400 1.00 0.00 C ATOM 511 O LEU A 36 13.997 -1.065 6.350 1.00 0.00 O ATOM 512 CB LEU A 36 11.599 -0.453 4.406 1.00 0.00 C ATOM 513 CG LEU A 36 10.192 -0.524 5.002 1.00 0.00 C ATOM 514 CD1 LEU A 36 9.418 0.749 4.697 1.00 0.00 C ATOM 515 CD2 LEU A 36 9.450 -1.743 4.473 1.00 0.00 C ATOM 0 H LEU A 36 14.212 -0.005 3.886 1.00 0.00 H new ATOM 0 HA LEU A 36 12.086 1.378 5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.518 -0.114 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.012 -1.461 4.379 1.00 0.00 H new ATOM 0 HG LEU A 36 10.281 -0.619 6.084 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.420 0.680 5.129 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.941 1.604 5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.338 0.877 3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.451 -1.778 4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.372 -1.679 3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.995 -2.647 4.744 1.00 0.00 H new ATOM 527 N PHE A 37 12.497 0.122 7.535 1.00 0.00 N ATOM 528 CA PHE A 37 12.883 -0.461 8.814 1.00 0.00 C ATOM 529 C PHE A 37 11.656 -0.946 9.582 1.00 0.00 C ATOM 530 O PHE A 37 10.547 -0.453 9.378 1.00 0.00 O ATOM 531 CB PHE A 37 13.651 0.561 9.654 1.00 0.00 C ATOM 532 CG PHE A 37 15.038 0.835 9.143 1.00 0.00 C ATOM 533 CD1 PHE A 37 16.044 -0.104 9.297 1.00 0.00 C ATOM 534 CD2 PHE A 37 15.333 2.031 8.510 1.00 0.00 C ATOM 535 CE1 PHE A 37 17.321 0.144 8.828 1.00 0.00 C ATOM 536 CE2 PHE A 37 16.607 2.285 8.039 1.00 0.00 C ATOM 537 CZ PHE A 37 17.603 1.341 8.198 1.00 0.00 C ATOM 0 H PHE A 37 11.745 0.809 7.594 1.00 0.00 H new ATOM 0 HA PHE A 37 13.529 -1.316 8.615 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.090 1.495 9.678 1.00 0.00 H new ATOM 0 HB3 PHE A 37 13.715 0.201 10.681 1.00 0.00 H new ATOM 0 HD1 PHE A 37 15.829 -1.041 9.789 1.00 0.00 H new ATOM 0 HD2 PHE A 37 14.559 2.773 8.383 1.00 0.00 H new ATOM 0 HE1 PHE A 37 18.097 -0.597 8.954 1.00 0.00 H new ATOM 0 HE2 PHE A 37 16.824 3.221 7.547 1.00 0.00 H new ATOM 0 HZ PHE A 37 18.599 1.538 7.831 1.00 0.00 H new ATOM 547 N VAL A 38 11.864 -1.919 10.464 1.00 0.00 N ATOM 548 CA VAL A 38 10.777 -2.472 11.263 1.00 0.00 C ATOM 549 C VAL A 38 11.254 -2.834 12.664 1.00 0.00 C ATOM 550 O VAL A 38 12.384 -3.283 12.851 1.00 0.00 O ATOM 551 CB VAL A 38 10.174 -3.724 10.599 1.00 0.00 C ATOM 552 CG1 VAL A 38 9.213 -3.329 9.487 1.00 0.00 C ATOM 553 CG2 VAL A 38 11.276 -4.627 10.067 1.00 0.00 C ATOM 0 H VAL A 38 12.775 -2.340 10.643 1.00 0.00 H new ATOM 0 HA VAL A 38 10.010 -1.700 11.332 1.00 0.00 H new ATOM 0 HB VAL A 38 9.613 -4.278 11.351 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.797 -4.227 9.030 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.406 -2.725 9.901 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.747 -2.752 8.732 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.832 -5.507 9.601 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.866 -4.084 9.329 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.920 -4.938 10.889 1.00 0.00 H new ATOM 563 N PHE A 39 10.384 -2.634 13.649 1.00 0.00 N ATOM 564 CA PHE A 39 10.716 -2.937 15.036 1.00 0.00 C ATOM 565 C PHE A 39 10.353 -4.380 15.379 1.00 0.00 C ATOM 566 O PHE A 39 9.207 -4.798 15.215 1.00 0.00 O ATOM 567 CB PHE A 39 9.988 -1.978 15.980 1.00 0.00 C ATOM 568 CG PHE A 39 10.334 -2.182 17.427 1.00 0.00 C ATOM 569 CD1 PHE A 39 9.766 -3.219 18.149 1.00 0.00 C ATOM 570 CD2 PHE A 39 11.227 -1.337 18.065 1.00 0.00 C ATOM 571 CE1 PHE A 39 10.083 -3.411 19.481 1.00 0.00 C ATOM 572 CE2 PHE A 39 11.548 -1.523 19.397 1.00 0.00 C ATOM 573 CZ PHE A 39 10.975 -2.560 20.106 1.00 0.00 C ATOM 0 H PHE A 39 9.444 -2.263 13.512 1.00 0.00 H new ATOM 0 HA PHE A 39 11.791 -2.811 15.161 1.00 0.00 H new ATOM 0 HB2 PHE A 39 10.228 -0.953 15.699 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.913 -2.101 15.851 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.067 -3.886 17.666 1.00 0.00 H new ATOM 0 HD2 PHE A 39 11.678 -0.524 17.516 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.635 -4.224 20.032 1.00 0.00 H new ATOM 0 HE2 PHE A 39 12.246 -0.858 19.883 1.00 0.00 H new ATOM 0 HZ PHE A 39 11.223 -2.706 21.147 1.00 0.00 H new ATOM 583 N ASP A 40 11.337 -5.134 15.855 1.00 0.00 N ATOM 584 CA ASP A 40 11.121 -6.529 16.222 1.00 0.00 C ATOM 585 C ASP A 40 11.401 -6.750 17.706 1.00 0.00 C ATOM 586 O ASP A 40 12.554 -6.783 18.134 1.00 0.00 O ATOM 587 CB ASP A 40 12.014 -7.443 15.381 1.00 0.00 C ATOM 588 CG ASP A 40 11.440 -8.839 15.236 1.00 0.00 C ATOM 589 OD1 ASP A 40 11.209 -9.496 16.271 1.00 0.00 O ATOM 590 OD2 ASP A 40 11.224 -9.274 14.085 1.00 0.00 O ATOM 0 H ASP A 40 12.292 -4.803 15.996 1.00 0.00 H new ATOM 0 HA ASP A 40 10.077 -6.773 16.027 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.149 -7.004 14.392 1.00 0.00 H new ATOM 0 HB3 ASP A 40 13.001 -7.505 15.840 1.00 0.00 H new ATOM 595 N LYS A 41 10.335 -6.900 18.486 1.00 0.00 N ATOM 596 CA LYS A 41 10.464 -7.119 19.922 1.00 0.00 C ATOM 597 C LYS A 41 11.710 -7.939 20.238 1.00 0.00 C ATOM 598 O LYS A 41 12.343 -7.751 21.278 1.00 0.00 O ATOM 599 CB LYS A 41 9.222 -7.830 20.463 1.00 0.00 C ATOM 600 CG LYS A 41 8.923 -7.510 21.918 1.00 0.00 C ATOM 601 CD LYS A 41 7.438 -7.625 22.221 1.00 0.00 C ATOM 602 CE LYS A 41 6.696 -6.348 21.861 1.00 0.00 C ATOM 603 NZ LYS A 41 5.265 -6.404 22.271 1.00 0.00 N ATOM 0 H LYS A 41 9.373 -6.874 18.148 1.00 0.00 H new ATOM 0 HA LYS A 41 10.559 -6.147 20.405 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.361 -7.553 19.854 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.355 -8.907 20.356 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.480 -8.189 22.563 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.265 -6.501 22.147 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.016 -8.462 21.665 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.297 -7.843 23.280 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.179 -5.499 22.344 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.760 -6.182 20.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.794 -5.515 22.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.797 -7.199 21.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.204 -6.537 23.301 1.00 0.00 H new ATOM 617 N THR A 42 12.060 -8.849 19.335 1.00 0.00 N ATOM 618 CA THR A 42 13.231 -9.697 19.518 1.00 0.00 C ATOM 619 C THR A 42 14.490 -8.861 19.713 1.00 0.00 C ATOM 620 O THR A 42 15.245 -9.071 20.663 1.00 0.00 O ATOM 621 CB THR A 42 13.436 -10.640 18.316 1.00 0.00 C ATOM 622 OG1 THR A 42 12.234 -11.376 18.062 1.00 0.00 O ATOM 623 CG2 THR A 42 14.583 -11.604 18.575 1.00 0.00 C ATOM 0 H THR A 42 11.549 -9.018 18.469 1.00 0.00 H new ATOM 0 HA THR A 42 13.052 -10.294 20.412 1.00 0.00 H new ATOM 0 HB THR A 42 13.682 -10.035 17.444 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.685 -10.891 17.411 1.00 0.00 H new ATOM 0 HG21 THR A 42 14.709 -12.260 17.713 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.502 -11.041 18.740 1.00 0.00 H new ATOM 0 HG23 THR A 42 14.362 -12.204 19.458 1.00 0.00 H new ATOM 631 N SER A 43 14.712 -7.912 18.809 1.00 0.00 N ATOM 632 CA SER A 43 15.882 -7.046 18.881 1.00 0.00 C ATOM 633 C SER A 43 15.589 -5.804 19.718 1.00 0.00 C ATOM 634 O SER A 43 16.493 -5.213 20.309 1.00 0.00 O ATOM 635 CB SER A 43 16.326 -6.635 17.475 1.00 0.00 C ATOM 636 OG SER A 43 17.474 -5.806 17.525 1.00 0.00 O ATOM 0 H SER A 43 14.096 -7.724 18.018 1.00 0.00 H new ATOM 0 HA SER A 43 16.687 -7.603 19.360 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.542 -7.525 16.884 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.514 -6.108 16.973 1.00 0.00 H new ATOM 0 HG SER A 43 17.739 -5.558 16.614 1.00 0.00 H new ATOM 642 N GLN A 44 14.319 -5.415 19.762 1.00 0.00 N ATOM 643 CA GLN A 44 13.905 -4.244 20.526 1.00 0.00 C ATOM 644 C GLN A 44 14.438 -2.963 19.889 1.00 0.00 C ATOM 645 O GLN A 44 14.803 -2.018 20.588 1.00 0.00 O ATOM 646 CB GLN A 44 14.395 -4.352 21.971 1.00 0.00 C ATOM 647 CG GLN A 44 14.116 -5.703 22.608 1.00 0.00 C ATOM 648 CD GLN A 44 12.779 -5.746 23.322 1.00 0.00 C ATOM 649 OE1 GLN A 44 12.717 -5.948 24.536 1.00 0.00 O ATOM 650 NE2 GLN A 44 11.701 -5.556 22.571 1.00 0.00 N ATOM 0 H GLN A 44 13.559 -5.893 19.278 1.00 0.00 H new ATOM 0 HA GLN A 44 12.816 -4.204 20.522 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.468 -4.162 21.997 1.00 0.00 H new ATOM 0 HB3 GLN A 44 13.919 -3.573 22.567 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.138 -6.475 21.839 1.00 0.00 H new ATOM 0 HG3 GLN A 44 14.910 -5.937 23.317 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.800 -5.392 21.569 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.774 -5.574 22.996 1.00 0.00 H new ATOM 659 N SER A 45 14.481 -2.942 18.562 1.00 0.00 N ATOM 660 CA SER A 45 14.975 -1.779 17.831 1.00 0.00 C ATOM 661 C SER A 45 14.594 -1.864 16.356 1.00 0.00 C ATOM 662 O SER A 45 13.919 -2.801 15.930 1.00 0.00 O ATOM 663 CB SER A 45 16.493 -1.669 17.973 1.00 0.00 C ATOM 664 OG SER A 45 16.914 -0.317 17.909 1.00 0.00 O ATOM 0 H SER A 45 14.180 -3.716 17.970 1.00 0.00 H new ATOM 0 HA SER A 45 14.513 -0.888 18.257 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.805 -2.106 18.921 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.978 -2.242 17.183 1.00 0.00 H new ATOM 0 HG SER A 45 17.888 -0.273 18.004 1.00 0.00 H new ATOM 670 N TRP A 46 15.031 -0.878 15.582 1.00 0.00 N ATOM 671 CA TRP A 46 14.737 -0.839 14.154 1.00 0.00 C ATOM 672 C TRP A 46 15.569 -1.870 13.399 1.00 0.00 C ATOM 673 O TRP A 46 16.780 -1.970 13.596 1.00 0.00 O ATOM 674 CB TRP A 46 15.006 0.560 13.595 1.00 0.00 C ATOM 675 CG TRP A 46 14.149 1.622 14.216 1.00 0.00 C ATOM 676 CD1 TRP A 46 14.575 2.695 14.945 1.00 0.00 C ATOM 677 CD2 TRP A 46 12.722 1.711 14.163 1.00 0.00 C ATOM 678 NE1 TRP A 46 13.498 3.446 15.350 1.00 0.00 N ATOM 679 CE2 TRP A 46 12.350 2.864 14.882 1.00 0.00 C ATOM 680 CE3 TRP A 46 11.721 0.930 13.577 1.00 0.00 C ATOM 681 CZ2 TRP A 46 11.021 3.252 15.030 1.00 0.00 C ATOM 682 CZ3 TRP A 46 10.403 1.317 13.725 1.00 0.00 C ATOM 683 CH2 TRP A 46 10.061 2.470 14.446 1.00 0.00 C ATOM 0 H TRP A 46 15.590 -0.094 15.919 1.00 0.00 H new ATOM 0 HA TRP A 46 13.683 -1.080 14.018 1.00 0.00 H new ATOM 0 HB2 TRP A 46 16.055 0.811 13.753 1.00 0.00 H new ATOM 0 HB3 TRP A 46 14.839 0.552 12.518 1.00 0.00 H new ATOM 0 HD1 TRP A 46 15.607 2.920 15.170 1.00 0.00 H new ATOM 0 HE1 TRP A 46 13.546 4.298 15.908 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.974 0.041 13.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 10.757 4.139 15.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 9.622 0.721 13.277 1.00 0.00 H new ATOM 0 HH2 TRP A 46 9.021 2.746 14.542 1.00 0.00 H new ATOM 694 N VAL A 47 14.912 -2.635 12.533 1.00 0.00 N ATOM 695 CA VAL A 47 15.591 -3.657 11.747 1.00 0.00 C ATOM 696 C VAL A 47 15.357 -3.449 10.254 1.00 0.00 C ATOM 697 O VAL A 47 14.310 -2.950 9.845 1.00 0.00 O ATOM 698 CB VAL A 47 15.120 -5.071 12.137 1.00 0.00 C ATOM 699 CG1 VAL A 47 15.805 -6.119 11.273 1.00 0.00 C ATOM 700 CG2 VAL A 47 15.380 -5.330 13.613 1.00 0.00 C ATOM 0 H VAL A 47 13.909 -2.566 12.358 1.00 0.00 H new ATOM 0 HA VAL A 47 16.656 -3.565 11.961 1.00 0.00 H new ATOM 0 HB VAL A 47 14.046 -5.139 11.964 1.00 0.00 H new ATOM 0 HG11 VAL A 47 15.460 -7.112 11.563 1.00 0.00 H new ATOM 0 HG12 VAL A 47 15.562 -5.942 10.225 1.00 0.00 H new ATOM 0 HG13 VAL A 47 16.884 -6.055 11.411 1.00 0.00 H new ATOM 0 HG21 VAL A 47 15.041 -6.333 13.872 1.00 0.00 H new ATOM 0 HG22 VAL A 47 16.448 -5.244 13.815 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.838 -4.598 14.212 1.00 0.00 H new ATOM 710 N GLU A 48 16.340 -3.835 9.448 1.00 0.00 N ATOM 711 CA GLU A 48 16.241 -3.690 8.000 1.00 0.00 C ATOM 712 C GLU A 48 15.218 -4.664 7.425 1.00 0.00 C ATOM 713 O GLU A 48 15.398 -5.880 7.490 1.00 0.00 O ATOM 714 CB GLU A 48 17.605 -3.922 7.347 1.00 0.00 C ATOM 715 CG GLU A 48 17.543 -4.048 5.834 1.00 0.00 C ATOM 716 CD GLU A 48 18.872 -4.450 5.226 1.00 0.00 C ATOM 717 OE1 GLU A 48 19.921 -4.068 5.786 1.00 0.00 O ATOM 718 OE2 GLU A 48 18.864 -5.147 4.191 1.00 0.00 O ATOM 0 H GLU A 48 17.213 -4.250 9.772 1.00 0.00 H new ATOM 0 HA GLU A 48 15.911 -2.674 7.784 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.268 -3.097 7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.047 -4.829 7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.787 -4.786 5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.226 -3.097 5.407 1.00 0.00 H new ATOM 725 N ARG A 49 14.143 -4.121 6.863 1.00 0.00 N ATOM 726 CA ARG A 49 13.089 -4.941 6.277 1.00 0.00 C ATOM 727 C ARG A 49 13.289 -5.090 4.772 1.00 0.00 C ATOM 728 O ARG A 49 13.135 -6.179 4.220 1.00 0.00 O ATOM 729 CB ARG A 49 11.718 -4.327 6.562 1.00 0.00 C ATOM 730 CG ARG A 49 10.596 -5.350 6.640 1.00 0.00 C ATOM 731 CD ARG A 49 10.423 -6.090 5.323 1.00 0.00 C ATOM 732 NE ARG A 49 9.104 -6.704 5.209 1.00 0.00 N ATOM 733 CZ ARG A 49 8.839 -7.737 4.417 1.00 0.00 C ATOM 734 NH1 ARG A 49 9.799 -8.267 3.672 1.00 0.00 N ATOM 735 NH2 ARG A 49 7.613 -8.240 4.368 1.00 0.00 N ATOM 0 H ARG A 49 13.979 -3.116 6.801 1.00 0.00 H new ATOM 0 HA ARG A 49 13.138 -5.930 6.732 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.764 -3.778 7.503 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.484 -3.603 5.781 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.809 -6.065 7.435 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.664 -4.850 6.902 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.573 -5.397 4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.190 -6.860 5.236 1.00 0.00 H new ATOM 0 HE ARG A 49 8.343 -6.319 5.769 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.743 -7.882 3.706 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.594 -9.060 3.064 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.872 -7.834 4.939 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.411 -9.033 3.759 1.00 0.00 H new ATOM 749 N GLY A 50 13.634 -3.988 4.114 1.00 0.00 N ATOM 750 CA GLY A 50 13.849 -4.017 2.678 1.00 0.00 C ATOM 751 C GLY A 50 14.309 -2.680 2.134 1.00 0.00 C ATOM 752 O GLY A 50 13.663 -1.655 2.357 1.00 0.00 O ATOM 0 H GLY A 50 13.769 -3.075 4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.593 -4.778 2.440 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.924 -4.309 2.181 1.00 0.00 H new ATOM 756 N ARG A 51 15.430 -2.687 1.419 1.00 0.00 N ATOM 757 CA ARG A 51 15.978 -1.464 0.844 1.00 0.00 C ATOM 758 C ARG A 51 15.890 -1.494 -0.679 1.00 0.00 C ATOM 759 O ARG A 51 16.037 -2.546 -1.300 1.00 0.00 O ATOM 760 CB ARG A 51 17.433 -1.280 1.278 1.00 0.00 C ATOM 761 CG ARG A 51 18.377 -2.321 0.702 1.00 0.00 C ATOM 762 CD ARG A 51 19.798 -2.127 1.210 1.00 0.00 C ATOM 763 NE ARG A 51 20.409 -0.912 0.676 1.00 0.00 N ATOM 764 CZ ARG A 51 21.678 -0.577 0.881 1.00 0.00 C ATOM 765 NH1 ARG A 51 22.466 -1.360 1.604 1.00 0.00 N ATOM 766 NH2 ARG A 51 22.161 0.544 0.362 1.00 0.00 N ATOM 0 H ARG A 51 15.976 -3.526 1.224 1.00 0.00 H new ATOM 0 HA ARG A 51 15.388 -0.623 1.209 1.00 0.00 H new ATOM 0 HB2 ARG A 51 17.771 -0.289 0.975 1.00 0.00 H new ATOM 0 HB3 ARG A 51 17.486 -1.316 2.366 1.00 0.00 H new ATOM 0 HG2 ARG A 51 18.027 -3.318 0.969 1.00 0.00 H new ATOM 0 HG3 ARG A 51 18.367 -2.260 -0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 51 19.791 -2.081 2.299 1.00 0.00 H new ATOM 0 HD3 ARG A 51 20.403 -2.990 0.932 1.00 0.00 H new ATOM 0 HE ARG A 51 19.830 -0.287 0.115 1.00 0.00 H new ATOM 0 HH11 ARG A 51 22.099 -2.223 2.005 1.00 0.00 H new ATOM 0 HH12 ARG A 51 23.440 -1.100 1.759 1.00 0.00 H new ATOM 0 HH21 ARG A 51 21.558 1.149 -0.195 1.00 0.00 H new ATOM 0 HH22 ARG A 51 23.135 0.801 0.520 1.00 0.00 H new ATOM 780 N GLY A 52 15.649 -0.330 -1.275 1.00 0.00 N ATOM 781 CA GLY A 52 15.545 -0.245 -2.720 1.00 0.00 C ATOM 782 C GLY A 52 14.928 1.062 -3.181 1.00 0.00 C ATOM 783 O GLY A 52 15.415 2.140 -2.840 1.00 0.00 O ATOM 0 H GLY A 52 15.524 0.555 -0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 52 16.537 -0.350 -3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.944 -1.077 -3.088 1.00 0.00 H new ATOM 787 N LEU A 53 13.856 0.966 -3.959 1.00 0.00 N ATOM 788 CA LEU A 53 13.172 2.150 -4.469 1.00 0.00 C ATOM 789 C LEU A 53 11.821 2.335 -3.786 1.00 0.00 C ATOM 790 O LEU A 53 11.143 1.362 -3.455 1.00 0.00 O ATOM 791 CB LEU A 53 12.983 2.041 -5.982 1.00 0.00 C ATOM 792 CG LEU A 53 12.147 3.142 -6.635 1.00 0.00 C ATOM 793 CD1 LEU A 53 12.852 4.485 -6.520 1.00 0.00 C ATOM 794 CD2 LEU A 53 11.867 2.807 -8.093 1.00 0.00 C ATOM 0 H LEU A 53 13.441 0.081 -4.251 1.00 0.00 H new ATOM 0 HA LEU A 53 13.790 3.020 -4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 53 13.967 2.033 -6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.517 1.080 -6.202 1.00 0.00 H new ATOM 0 HG LEU A 53 11.194 3.208 -6.110 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.243 5.257 -6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.000 4.730 -5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.819 4.432 -7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.271 3.602 -8.541 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.810 2.712 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.320 1.866 -8.152 1.00 0.00 H new ATOM 806 N LEU A 54 11.434 3.589 -3.582 1.00 0.00 N ATOM 807 CA LEU A 54 10.161 3.903 -2.942 1.00 0.00 C ATOM 808 C LEU A 54 9.507 5.115 -3.596 1.00 0.00 C ATOM 809 O LEU A 54 10.142 6.155 -3.775 1.00 0.00 O ATOM 810 CB LEU A 54 10.369 4.165 -1.449 1.00 0.00 C ATOM 811 CG LEU A 54 9.210 4.843 -0.719 1.00 0.00 C ATOM 812 CD1 LEU A 54 8.281 3.804 -0.112 1.00 0.00 C ATOM 813 CD2 LEU A 54 9.735 5.784 0.357 1.00 0.00 C ATOM 0 H LEU A 54 11.983 4.405 -3.850 1.00 0.00 H new ATOM 0 HA LEU A 54 9.499 3.046 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.574 3.213 -0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.259 4.783 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 54 8.643 5.429 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.462 4.305 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.879 3.170 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.836 3.191 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.896 6.258 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.325 5.219 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.360 6.550 -0.103 1.00 0.00 H new ATOM 825 N ARG A 55 8.233 4.975 -3.948 1.00 0.00 N ATOM 826 CA ARG A 55 7.492 6.060 -4.582 1.00 0.00 C ATOM 827 C ARG A 55 6.003 5.961 -4.260 1.00 0.00 C ATOM 828 O ARG A 55 5.476 4.870 -4.037 1.00 0.00 O ATOM 829 CB ARG A 55 7.700 6.032 -6.097 1.00 0.00 C ATOM 830 CG ARG A 55 7.101 4.809 -6.771 1.00 0.00 C ATOM 831 CD ARG A 55 8.101 3.666 -6.844 1.00 0.00 C ATOM 832 NE ARG A 55 7.447 2.380 -7.072 1.00 0.00 N ATOM 833 CZ ARG A 55 6.937 2.012 -8.242 1.00 0.00 C ATOM 834 NH1 ARG A 55 7.007 2.829 -9.285 1.00 0.00 N ATOM 835 NH2 ARG A 55 6.357 0.826 -8.372 1.00 0.00 N ATOM 0 H ARG A 55 7.693 4.122 -3.805 1.00 0.00 H new ATOM 0 HA ARG A 55 7.870 7.003 -4.188 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.259 6.929 -6.532 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.769 6.067 -6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.217 4.486 -6.221 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.773 5.071 -7.777 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.813 3.858 -7.647 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.671 3.623 -5.916 1.00 0.00 H new ATOM 0 HE ARG A 55 7.378 1.729 -6.290 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.453 3.741 -9.189 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.615 2.545 -10.183 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.302 0.195 -7.573 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.966 0.545 -9.271 1.00 0.00 H new ATOM 849 N LEU A 56 5.331 7.107 -4.239 1.00 0.00 N ATOM 850 CA LEU A 56 3.904 7.150 -3.944 1.00 0.00 C ATOM 851 C LEU A 56 3.079 7.012 -5.220 1.00 0.00 C ATOM 852 O LEU A 56 3.065 7.909 -6.061 1.00 0.00 O ATOM 853 CB LEU A 56 3.548 8.458 -3.234 1.00 0.00 C ATOM 854 CG LEU A 56 2.067 8.835 -3.224 1.00 0.00 C ATOM 855 CD1 LEU A 56 1.383 8.283 -1.982 1.00 0.00 C ATOM 856 CD2 LEU A 56 1.901 10.346 -3.297 1.00 0.00 C ATOM 0 H LEU A 56 5.752 8.018 -4.423 1.00 0.00 H new ATOM 0 HA LEU A 56 3.670 6.312 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.893 8.393 -2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.105 9.267 -3.706 1.00 0.00 H new ATOM 0 HG LEU A 56 1.594 8.393 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.329 8.562 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.471 7.197 -1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.858 8.695 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.840 10.596 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.389 10.808 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.354 10.718 -4.216 1.00 0.00 H new ATOM 868 N ASN A 57 2.394 5.881 -5.356 1.00 0.00 N ATOM 869 CA ASN A 57 1.566 5.625 -6.529 1.00 0.00 C ATOM 870 C ASN A 57 0.116 6.024 -6.269 1.00 0.00 C ATOM 871 O ASN A 57 -0.339 6.036 -5.125 1.00 0.00 O ATOM 872 CB ASN A 57 1.639 4.148 -6.918 1.00 0.00 C ATOM 873 CG ASN A 57 3.066 3.640 -6.996 1.00 0.00 C ATOM 874 OD1 ASN A 57 4.017 4.402 -6.829 1.00 0.00 O ATOM 875 ND2 ASN A 57 3.220 2.346 -7.252 1.00 0.00 N ATOM 0 H ASN A 57 2.396 5.127 -4.669 1.00 0.00 H new ATOM 0 HA ASN A 57 1.948 6.229 -7.352 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.085 3.556 -6.190 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.152 4.005 -7.883 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.156 1.947 -7.317 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.402 1.751 -7.384 1.00 0.00 H new ATOM 882 N ASP A 58 -0.603 6.348 -7.338 1.00 0.00 N ATOM 883 CA ASP A 58 -2.002 6.744 -7.226 1.00 0.00 C ATOM 884 C ASP A 58 -2.921 5.653 -7.765 1.00 0.00 C ATOM 885 O ASP A 58 -2.605 4.994 -8.755 1.00 0.00 O ATOM 886 CB ASP A 58 -2.244 8.052 -7.983 1.00 0.00 C ATOM 887 CG ASP A 58 -3.378 8.863 -7.387 1.00 0.00 C ATOM 888 OD1 ASP A 58 -4.364 8.253 -6.923 1.00 0.00 O ATOM 889 OD2 ASP A 58 -3.279 10.109 -7.383 1.00 0.00 O ATOM 0 H ASP A 58 -0.240 6.344 -8.291 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.229 6.895 -6.171 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.331 8.648 -7.975 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.469 7.829 -9.026 1.00 0.00 H new ATOM 894 N MET A 59 -4.059 5.466 -7.104 1.00 0.00 N ATOM 895 CA MET A 59 -5.024 4.454 -7.516 1.00 0.00 C ATOM 896 C MET A 59 -6.444 4.876 -7.153 1.00 0.00 C ATOM 897 O MET A 59 -6.664 5.540 -6.140 1.00 0.00 O ATOM 898 CB MET A 59 -4.696 3.110 -6.864 1.00 0.00 C ATOM 899 CG MET A 59 -5.029 3.057 -5.382 1.00 0.00 C ATOM 900 SD MET A 59 -4.426 1.555 -4.587 1.00 0.00 S ATOM 901 CE MET A 59 -4.668 1.964 -2.860 1.00 0.00 C ATOM 0 H MET A 59 -4.335 6.002 -6.281 1.00 0.00 H new ATOM 0 HA MET A 59 -4.962 4.349 -8.599 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.244 2.322 -7.380 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.635 2.900 -6.997 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.596 3.925 -4.885 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.109 3.122 -5.254 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.580 1.061 -2.256 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.912 2.684 -2.547 1.00 0.00 H new ATOM 0 HE3 MET A 59 -5.659 2.396 -2.724 1.00 0.00 H new ATOM 911 N ALA A 60 -7.405 4.488 -7.986 1.00 0.00 N ATOM 912 CA ALA A 60 -8.802 4.824 -7.751 1.00 0.00 C ATOM 913 C ALA A 60 -9.408 3.935 -6.670 1.00 0.00 C ATOM 914 O ALA A 60 -8.924 2.830 -6.420 1.00 0.00 O ATOM 915 CB ALA A 60 -9.599 4.707 -9.042 1.00 0.00 C ATOM 0 H ALA A 60 -7.240 3.940 -8.830 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.847 5.856 -7.402 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.641 4.961 -8.850 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.190 5.391 -9.786 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.538 3.685 -9.416 1.00 0.00 H new ATOM 921 N SER A 61 -10.468 4.422 -6.033 1.00 0.00 N ATOM 922 CA SER A 61 -11.136 3.673 -4.976 1.00 0.00 C ATOM 923 C SER A 61 -12.206 2.753 -5.555 1.00 0.00 C ATOM 924 O SER A 61 -12.698 2.973 -6.663 1.00 0.00 O ATOM 925 CB SER A 61 -11.764 4.630 -3.962 1.00 0.00 C ATOM 926 OG SER A 61 -11.726 4.085 -2.654 1.00 0.00 O ATOM 0 H SER A 61 -10.883 5.333 -6.231 1.00 0.00 H new ATOM 0 HA SER A 61 -10.389 3.060 -4.471 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.233 5.582 -3.978 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.797 4.836 -4.243 1.00 0.00 H new ATOM 0 HG SER A 61 -11.664 4.811 -1.999 1.00 0.00 H new ATOM 932 N THR A 62 -12.564 1.720 -4.798 1.00 0.00 N ATOM 933 CA THR A 62 -13.575 0.766 -5.235 1.00 0.00 C ATOM 934 C THR A 62 -14.932 1.080 -4.617 1.00 0.00 C ATOM 935 O THR A 62 -15.944 1.137 -5.314 1.00 0.00 O ATOM 936 CB THR A 62 -13.179 -0.678 -4.872 1.00 0.00 C ATOM 937 OG1 THR A 62 -14.352 -1.487 -4.732 1.00 0.00 O ATOM 938 CG2 THR A 62 -12.377 -0.710 -3.580 1.00 0.00 C ATOM 0 H THR A 62 -12.168 1.523 -3.879 1.00 0.00 H new ATOM 0 HA THR A 62 -13.644 0.854 -6.319 1.00 0.00 H new ATOM 0 HB THR A 62 -12.559 -1.075 -5.676 1.00 0.00 H new ATOM 0 HG1 THR A 62 -14.092 -2.404 -4.503 1.00 0.00 H new ATOM 0 HG21 THR A 62 -12.109 -1.740 -3.344 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.470 -0.117 -3.700 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.977 -0.296 -2.769 1.00 0.00 H new ATOM 946 N ASP A 63 -14.945 1.282 -3.304 1.00 0.00 N ATOM 947 CA ASP A 63 -16.179 1.592 -2.591 1.00 0.00 C ATOM 948 C ASP A 63 -16.431 3.097 -2.571 1.00 0.00 C ATOM 949 O ASP A 63 -17.523 3.548 -2.228 1.00 0.00 O ATOM 950 CB ASP A 63 -16.115 1.055 -1.160 1.00 0.00 C ATOM 951 CG ASP A 63 -14.927 1.599 -0.390 1.00 0.00 C ATOM 952 OD1 ASP A 63 -13.794 1.141 -0.647 1.00 0.00 O ATOM 953 OD2 ASP A 63 -15.131 2.481 0.471 1.00 0.00 O ATOM 0 H ASP A 63 -14.116 1.237 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 63 -17.004 1.110 -3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -17.034 1.316 -0.636 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -16.060 -0.033 -1.186 1.00 0.00 H new ATOM 958 N ASP A 64 -15.414 3.867 -2.941 1.00 0.00 N ATOM 959 CA ASP A 64 -15.526 5.321 -2.967 1.00 0.00 C ATOM 960 C ASP A 64 -15.347 5.855 -4.384 1.00 0.00 C ATOM 961 O ASP A 64 -15.725 6.987 -4.684 1.00 0.00 O ATOM 962 CB ASP A 64 -14.487 5.949 -2.037 1.00 0.00 C ATOM 963 CG ASP A 64 -14.419 5.254 -0.691 1.00 0.00 C ATOM 964 OD1 ASP A 64 -15.476 4.808 -0.199 1.00 0.00 O ATOM 965 OD2 ASP A 64 -13.307 5.156 -0.129 1.00 0.00 O ATOM 0 H ASP A 64 -14.503 3.509 -3.227 1.00 0.00 H new ATOM 0 HA ASP A 64 -16.524 5.591 -2.621 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.507 5.910 -2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.727 7.002 -1.887 1.00 0.00 H new ATOM 970 N GLY A 65 -14.767 5.033 -5.253 1.00 0.00 N ATOM 971 CA GLY A 65 -14.547 5.440 -6.627 1.00 0.00 C ATOM 972 C GLY A 65 -13.813 6.762 -6.730 1.00 0.00 C ATOM 973 O GLY A 65 -13.871 7.436 -7.759 1.00 0.00 O ATOM 0 H GLY A 65 -14.445 4.091 -5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.975 4.669 -7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.507 5.520 -7.137 1.00 0.00 H new ATOM 977 N THR A 66 -13.120 7.137 -5.658 1.00 0.00 N ATOM 978 CA THR A 66 -12.373 8.389 -5.630 1.00 0.00 C ATOM 979 C THR A 66 -10.875 8.138 -5.755 1.00 0.00 C ATOM 980 O THR A 66 -10.426 6.991 -5.767 1.00 0.00 O ATOM 981 CB THR A 66 -12.645 9.176 -4.335 1.00 0.00 C ATOM 982 OG1 THR A 66 -12.130 10.507 -4.452 1.00 0.00 O ATOM 983 CG2 THR A 66 -12.010 8.484 -3.138 1.00 0.00 C ATOM 0 H THR A 66 -13.061 6.591 -4.798 1.00 0.00 H new ATOM 0 HA THR A 66 -12.711 8.979 -6.482 1.00 0.00 H new ATOM 0 HB THR A 66 -13.723 9.217 -4.181 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.568 11.086 -3.794 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.215 9.058 -2.235 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.427 7.482 -3.034 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.932 8.415 -3.287 1.00 0.00 H new ATOM 991 N LEU A 67 -10.105 9.217 -5.846 1.00 0.00 N ATOM 992 CA LEU A 67 -8.656 9.114 -5.968 1.00 0.00 C ATOM 993 C LEU A 67 -8.043 8.516 -4.705 1.00 0.00 C ATOM 994 O LEU A 67 -7.845 9.214 -3.711 1.00 0.00 O ATOM 995 CB LEU A 67 -8.048 10.490 -6.240 1.00 0.00 C ATOM 996 CG LEU A 67 -6.572 10.507 -6.639 1.00 0.00 C ATOM 997 CD1 LEU A 67 -5.702 10.028 -5.486 1.00 0.00 C ATOM 998 CD2 LEU A 67 -6.344 9.646 -7.874 1.00 0.00 C ATOM 0 H LEU A 67 -10.461 10.173 -5.838 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.434 8.453 -6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.623 10.968 -7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.169 11.101 -5.346 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.291 11.533 -6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.655 10.047 -5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.844 10.683 -4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.984 9.010 -5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.288 9.669 -8.144 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.641 8.619 -7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.939 10.032 -8.702 1.00 0.00 H new ATOM 1010 N GLN A 68 -7.745 7.221 -4.753 1.00 0.00 N ATOM 1011 CA GLN A 68 -7.154 6.531 -3.614 1.00 0.00 C ATOM 1012 C GLN A 68 -5.633 6.501 -3.724 1.00 0.00 C ATOM 1013 O GLN A 68 -5.068 6.877 -4.750 1.00 0.00 O ATOM 1014 CB GLN A 68 -7.699 5.106 -3.515 1.00 0.00 C ATOM 1015 CG GLN A 68 -8.966 4.994 -2.683 1.00 0.00 C ATOM 1016 CD GLN A 68 -8.683 4.921 -1.195 1.00 0.00 C ATOM 1017 OE1 GLN A 68 -7.869 5.680 -0.669 1.00 0.00 O ATOM 1018 NE2 GLN A 68 -9.355 4.004 -0.509 1.00 0.00 N ATOM 0 H GLN A 68 -7.904 6.630 -5.569 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.423 7.078 -2.711 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.900 4.732 -4.519 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.933 4.462 -3.083 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.606 5.853 -2.885 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.519 4.105 -2.988 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.020 3.396 -0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.206 3.908 0.495 1.00 0.00 H new ATOM 1027 N SER A 69 -4.976 6.051 -2.660 1.00 0.00 N ATOM 1028 CA SER A 69 -3.520 5.975 -2.636 1.00 0.00 C ATOM 1029 C SER A 69 -3.049 4.858 -1.708 1.00 0.00 C ATOM 1030 O SER A 69 -3.795 4.399 -0.844 1.00 0.00 O ATOM 1031 CB SER A 69 -2.927 7.311 -2.187 1.00 0.00 C ATOM 1032 OG SER A 69 -3.099 8.306 -3.181 1.00 0.00 O ATOM 0 H SER A 69 -5.429 5.733 -1.803 1.00 0.00 H new ATOM 0 HA SER A 69 -3.175 5.753 -3.646 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.405 7.631 -1.261 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.866 7.187 -1.972 1.00 0.00 H new ATOM 0 HG SER A 69 -3.657 7.952 -3.905 1.00 0.00 H new ATOM 1038 N ARG A 70 -1.806 4.428 -1.895 1.00 0.00 N ATOM 1039 CA ARG A 70 -1.235 3.365 -1.077 1.00 0.00 C ATOM 1040 C ARG A 70 0.281 3.512 -0.975 1.00 0.00 C ATOM 1041 O ARG A 70 0.884 4.329 -1.672 1.00 0.00 O ATOM 1042 CB ARG A 70 -1.586 1.996 -1.663 1.00 0.00 C ATOM 1043 CG ARG A 70 -1.340 1.893 -3.160 1.00 0.00 C ATOM 1044 CD ARG A 70 0.066 1.398 -3.460 1.00 0.00 C ATOM 1045 NE ARG A 70 0.286 1.209 -4.892 1.00 0.00 N ATOM 1046 CZ ARG A 70 -0.229 0.200 -5.586 1.00 0.00 C ATOM 1047 NH1 ARG A 70 -0.989 -0.705 -4.985 1.00 0.00 N ATOM 1048 NH2 ARG A 70 0.015 0.095 -6.886 1.00 0.00 N ATOM 0 H ARG A 70 -1.175 4.799 -2.605 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.659 3.444 -0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.000 1.231 -1.154 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.635 1.782 -1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.068 1.214 -3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.490 2.868 -3.623 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.792 2.113 -3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.237 0.456 -2.939 1.00 0.00 H new ATOM 0 HE ARG A 70 0.866 1.888 -5.385 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.180 -0.628 -3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.382 -1.478 -5.522 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.598 0.789 -7.353 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.381 -0.680 -7.418 1.00 0.00 H new ATOM 1062 N LEU A 71 0.889 2.719 -0.100 1.00 0.00 N ATOM 1063 CA LEU A 71 2.334 2.761 0.095 1.00 0.00 C ATOM 1064 C LEU A 71 3.006 1.553 -0.548 1.00 0.00 C ATOM 1065 O LEU A 71 2.744 0.410 -0.173 1.00 0.00 O ATOM 1066 CB LEU A 71 2.666 2.808 1.588 1.00 0.00 C ATOM 1067 CG LEU A 71 2.667 4.195 2.231 1.00 0.00 C ATOM 1068 CD1 LEU A 71 2.235 4.108 3.687 1.00 0.00 C ATOM 1069 CD2 LEU A 71 4.043 4.835 2.119 1.00 0.00 C ATOM 0 H LEU A 71 0.404 2.039 0.486 1.00 0.00 H new ATOM 0 HA LEU A 71 2.714 3.663 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.948 2.183 2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.649 2.360 1.736 1.00 0.00 H new ATOM 0 HG LEU A 71 1.953 4.822 1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.242 5.104 4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.229 3.693 3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.925 3.464 4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.024 5.822 2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.777 4.210 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.314 4.933 1.068 1.00 0.00 H new ATOM 1081 N VAL A 72 3.876 1.813 -1.520 1.00 0.00 N ATOM 1082 CA VAL A 72 4.588 0.747 -2.214 1.00 0.00 C ATOM 1083 C VAL A 72 6.088 0.826 -1.950 1.00 0.00 C ATOM 1084 O VAL A 72 6.637 1.910 -1.757 1.00 0.00 O ATOM 1085 CB VAL A 72 4.342 0.804 -3.734 1.00 0.00 C ATOM 1086 CG1 VAL A 72 5.558 0.294 -4.491 1.00 0.00 C ATOM 1087 CG2 VAL A 72 3.100 0.007 -4.102 1.00 0.00 C ATOM 0 H VAL A 72 4.104 2.753 -1.844 1.00 0.00 H new ATOM 0 HA VAL A 72 4.202 -0.196 -1.826 1.00 0.00 H new ATOM 0 HB VAL A 72 4.177 1.843 -4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.366 0.342 -5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.423 0.912 -4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.759 -0.738 -4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.941 0.058 -5.179 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.233 -1.033 -3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.234 0.424 -3.587 1.00 0.00 H new ATOM 1097 N MET A 73 6.743 -0.329 -1.944 1.00 0.00 N ATOM 1098 CA MET A 73 8.180 -0.391 -1.705 1.00 0.00 C ATOM 1099 C MET A 73 8.806 -1.563 -2.454 1.00 0.00 C ATOM 1100 O MET A 73 8.490 -2.723 -2.187 1.00 0.00 O ATOM 1101 CB MET A 73 8.465 -0.519 -0.207 1.00 0.00 C ATOM 1102 CG MET A 73 9.875 -0.102 0.181 1.00 0.00 C ATOM 1103 SD MET A 73 11.139 -0.937 -0.798 1.00 0.00 S ATOM 1104 CE MET A 73 12.607 -0.051 -0.281 1.00 0.00 C ATOM 0 H MET A 73 6.302 -1.235 -2.102 1.00 0.00 H new ATOM 0 HA MET A 73 8.624 0.533 -2.075 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.750 0.091 0.344 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.304 -1.553 0.098 1.00 0.00 H new ATOM 0 HG2 MET A 73 9.978 0.976 0.057 1.00 0.00 H new ATOM 0 HG3 MET A 73 10.036 -0.319 1.237 1.00 0.00 H new ATOM 0 HE1 MET A 73 13.029 0.483 -1.133 1.00 0.00 H new ATOM 0 HE2 MET A 73 12.345 0.662 0.501 1.00 0.00 H new ATOM 0 HE3 MET A 73 13.342 -0.758 0.104 1.00 0.00 H new ATOM 1114 N ARG A 74 9.694 -1.253 -3.393 1.00 0.00 N ATOM 1115 CA ARG A 74 10.363 -2.281 -4.181 1.00 0.00 C ATOM 1116 C ARG A 74 11.839 -2.380 -3.807 1.00 0.00 C ATOM 1117 O ARG A 74 12.553 -1.377 -3.786 1.00 0.00 O ATOM 1118 CB ARG A 74 10.223 -1.981 -5.675 1.00 0.00 C ATOM 1119 CG ARG A 74 8.782 -1.806 -6.129 1.00 0.00 C ATOM 1120 CD ARG A 74 8.704 -1.410 -7.594 1.00 0.00 C ATOM 1121 NE ARG A 74 7.362 -1.593 -8.139 1.00 0.00 N ATOM 1122 CZ ARG A 74 7.110 -1.752 -9.434 1.00 0.00 C ATOM 1123 NH1 ARG A 74 8.104 -1.749 -10.312 1.00 0.00 N ATOM 1124 NH2 ARG A 74 5.862 -1.914 -9.854 1.00 0.00 N ATOM 0 H ARG A 74 9.967 -0.298 -3.627 1.00 0.00 H new ATOM 0 HA ARG A 74 9.887 -3.237 -3.963 1.00 0.00 H new ATOM 0 HB2 ARG A 74 10.781 -1.075 -5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.678 -2.792 -6.244 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.235 -2.736 -5.973 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.297 -1.044 -5.519 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.001 -0.367 -7.704 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.413 -2.006 -8.169 1.00 0.00 H new ATOM 0 HE ARG A 74 6.575 -1.599 -7.490 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.065 -1.624 -9.994 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.907 -1.871 -11.305 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.094 -1.917 -9.183 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.670 -2.036 -10.848 1.00 0.00 H new ATOM 1138 N THR A 75 12.291 -3.595 -3.514 1.00 0.00 N ATOM 1139 CA THR A 75 13.681 -3.823 -3.139 1.00 0.00 C ATOM 1140 C THR A 75 14.603 -3.696 -4.346 1.00 0.00 C ATOM 1141 O THR A 75 14.162 -3.807 -5.490 1.00 0.00 O ATOM 1142 CB THR A 75 13.870 -5.215 -2.507 1.00 0.00 C ATOM 1143 OG1 THR A 75 13.172 -6.202 -3.277 1.00 0.00 O ATOM 1144 CG2 THR A 75 13.364 -5.232 -1.073 1.00 0.00 C ATOM 0 H THR A 75 11.715 -4.436 -3.529 1.00 0.00 H new ATOM 0 HA THR A 75 13.941 -3.060 -2.405 1.00 0.00 H new ATOM 0 HB THR A 75 14.935 -5.445 -2.502 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.206 -6.058 -3.195 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.508 -6.225 -0.648 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.917 -4.501 -0.483 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.303 -4.982 -1.058 1.00 0.00 H new ATOM 1152 N GLN A 76 15.885 -3.463 -4.084 1.00 0.00 N ATOM 1153 CA GLN A 76 16.869 -3.321 -5.149 1.00 0.00 C ATOM 1154 C GLN A 76 17.409 -4.681 -5.578 1.00 0.00 C ATOM 1155 O GLN A 76 18.053 -5.379 -4.797 1.00 0.00 O ATOM 1156 CB GLN A 76 18.021 -2.423 -4.693 1.00 0.00 C ATOM 1157 CG GLN A 76 18.658 -2.870 -3.386 1.00 0.00 C ATOM 1158 CD GLN A 76 19.822 -1.989 -2.975 1.00 0.00 C ATOM 1159 OE1 GLN A 76 20.957 -2.201 -3.400 1.00 0.00 O ATOM 1160 NE2 GLN A 76 19.544 -0.993 -2.142 1.00 0.00 N ATOM 0 H GLN A 76 16.266 -3.369 -3.143 1.00 0.00 H new ATOM 0 HA GLN A 76 16.375 -2.860 -6.005 1.00 0.00 H new ATOM 0 HB2 GLN A 76 18.784 -2.401 -5.471 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.653 -1.403 -4.579 1.00 0.00 H new ATOM 0 HG2 GLN A 76 17.905 -2.863 -2.598 1.00 0.00 H new ATOM 0 HG3 GLN A 76 19.003 -3.899 -3.487 1.00 0.00 H new ATOM 0 HE21 GLN A 76 18.588 -0.854 -1.814 1.00 0.00 H new ATOM 0 HE22 GLN A 76 20.286 -0.367 -1.830 1.00 0.00 H new ATOM 1169 N GLY A 77 17.139 -5.053 -6.826 1.00 0.00 N ATOM 1170 CA GLY A 77 17.604 -6.330 -7.336 1.00 0.00 C ATOM 1171 C GLY A 77 16.664 -6.920 -8.368 1.00 0.00 C ATOM 1172 O GLY A 77 16.930 -6.858 -9.568 1.00 0.00 O ATOM 0 H GLY A 77 16.607 -4.493 -7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.591 -6.203 -7.780 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.714 -7.030 -6.508 1.00 0.00 H new ATOM 1176 N SER A 78 15.559 -7.494 -7.901 1.00 0.00 N ATOM 1177 CA SER A 78 14.578 -8.101 -8.792 1.00 0.00 C ATOM 1178 C SER A 78 13.203 -7.469 -8.599 1.00 0.00 C ATOM 1179 O SER A 78 12.178 -8.145 -8.684 1.00 0.00 O ATOM 1180 CB SER A 78 14.498 -9.609 -8.543 1.00 0.00 C ATOM 1181 OG SER A 78 15.654 -10.268 -9.027 1.00 0.00 O ATOM 0 H SER A 78 15.321 -7.551 -6.911 1.00 0.00 H new ATOM 0 HA SER A 78 14.898 -7.925 -9.819 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.388 -9.799 -7.475 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.613 -10.015 -9.032 1.00 0.00 H new ATOM 0 HG SER A 78 15.579 -11.230 -8.854 1.00 0.00 H new ATOM 1187 N LEU A 79 13.190 -6.167 -8.338 1.00 0.00 N ATOM 1188 CA LEU A 79 11.942 -5.440 -8.132 1.00 0.00 C ATOM 1189 C LEU A 79 10.958 -6.269 -7.315 1.00 0.00 C ATOM 1190 O LEU A 79 9.796 -6.424 -7.693 1.00 0.00 O ATOM 1191 CB LEU A 79 11.318 -5.068 -9.478 1.00 0.00 C ATOM 1192 CG LEU A 79 11.912 -3.845 -10.179 1.00 0.00 C ATOM 1193 CD1 LEU A 79 11.738 -2.602 -9.320 1.00 0.00 C ATOM 1194 CD2 LEU A 79 13.382 -4.074 -10.497 1.00 0.00 C ATOM 0 H LEU A 79 14.030 -5.593 -8.264 1.00 0.00 H new ATOM 0 HA LEU A 79 12.168 -4.529 -7.579 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.408 -5.924 -10.146 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.253 -4.893 -9.326 1.00 0.00 H new ATOM 0 HG LEU A 79 11.378 -3.692 -11.117 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.166 -1.742 -9.834 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.677 -2.428 -9.143 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.246 -2.745 -8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.788 -3.194 -10.995 1.00 0.00 H new ATOM 0 HD22 LEU A 79 13.931 -4.253 -9.572 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.482 -4.940 -11.151 1.00 0.00 H new ATOM 1206 N ARG A 80 11.429 -6.799 -6.191 1.00 0.00 N ATOM 1207 CA ARG A 80 10.590 -7.612 -5.319 1.00 0.00 C ATOM 1208 C ARG A 80 9.804 -6.735 -4.349 1.00 0.00 C ATOM 1209 O ARG A 80 10.379 -5.914 -3.632 1.00 0.00 O ATOM 1210 CB ARG A 80 11.445 -8.613 -4.539 1.00 0.00 C ATOM 1211 CG ARG A 80 10.698 -9.306 -3.412 1.00 0.00 C ATOM 1212 CD ARG A 80 9.647 -10.265 -3.948 1.00 0.00 C ATOM 1213 NE ARG A 80 9.425 -11.394 -3.049 1.00 0.00 N ATOM 1214 CZ ARG A 80 8.940 -12.565 -3.444 1.00 0.00 C ATOM 1215 NH1 ARG A 80 8.626 -12.760 -4.717 1.00 0.00 N ATOM 1216 NH2 ARG A 80 8.768 -13.544 -2.565 1.00 0.00 N ATOM 0 H ARG A 80 12.387 -6.680 -5.863 1.00 0.00 H new ATOM 0 HA ARG A 80 9.883 -8.158 -5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 80 11.826 -9.367 -5.228 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.309 -8.094 -4.125 1.00 0.00 H new ATOM 0 HG2 ARG A 80 11.405 -9.851 -2.787 1.00 0.00 H new ATOM 0 HG3 ARG A 80 10.221 -8.559 -2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.709 -9.729 -4.095 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.959 -10.635 -4.924 1.00 0.00 H new ATOM 0 HE ARG A 80 9.655 -11.276 -2.062 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.757 -12.010 -5.395 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.254 -13.661 -5.018 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.008 -13.397 -1.585 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.395 -14.443 -2.870 1.00 0.00 H new ATOM 1230 N LEU A 81 8.488 -6.915 -4.331 1.00 0.00 N ATOM 1231 CA LEU A 81 7.622 -6.139 -3.448 1.00 0.00 C ATOM 1232 C LEU A 81 7.556 -6.768 -2.060 1.00 0.00 C ATOM 1233 O LEU A 81 7.459 -7.987 -1.925 1.00 0.00 O ATOM 1234 CB LEU A 81 6.216 -6.038 -4.042 1.00 0.00 C ATOM 1235 CG LEU A 81 5.422 -4.784 -3.676 1.00 0.00 C ATOM 1236 CD1 LEU A 81 5.411 -4.579 -2.169 1.00 0.00 C ATOM 1237 CD2 LEU A 81 5.999 -3.563 -4.378 1.00 0.00 C ATOM 0 H LEU A 81 7.997 -7.590 -4.917 1.00 0.00 H new ATOM 0 HA LEU A 81 8.043 -5.138 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.297 -6.088 -5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.645 -6.911 -3.724 1.00 0.00 H new ATOM 0 HG LEU A 81 4.393 -4.919 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.841 -3.682 -1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.950 -5.442 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.434 -4.467 -1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.421 -2.680 -4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.037 -3.425 -4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.953 -3.708 -5.457 1.00 0.00 H new ATOM 1249 N ILE A 82 7.609 -5.926 -1.033 1.00 0.00 N ATOM 1250 CA ILE A 82 7.553 -6.400 0.345 1.00 0.00 C ATOM 1251 C ILE A 82 6.539 -5.602 1.159 1.00 0.00 C ATOM 1252 O ILE A 82 5.938 -6.118 2.101 1.00 0.00 O ATOM 1253 CB ILE A 82 8.929 -6.309 1.028 1.00 0.00 C ATOM 1254 CG1 ILE A 82 9.324 -4.846 1.239 1.00 0.00 C ATOM 1255 CG2 ILE A 82 9.980 -7.032 0.200 1.00 0.00 C ATOM 1256 CD1 ILE A 82 9.853 -4.177 -0.010 1.00 0.00 C ATOM 0 H ILE A 82 7.691 -4.914 -1.129 1.00 0.00 H new ATOM 0 HA ILE A 82 7.244 -7.445 0.308 1.00 0.00 H new ATOM 0 HB ILE A 82 8.866 -6.792 2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.457 -4.292 1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.083 -4.792 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.948 -6.959 0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.704 -8.081 0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.043 -6.575 -0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.113 -3.142 0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.739 -4.707 -0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.088 -4.199 -0.786 1.00 0.00 H new ATOM 1268 N LEU A 83 6.354 -4.339 0.788 1.00 0.00 N ATOM 1269 CA LEU A 83 5.412 -3.469 1.483 1.00 0.00 C ATOM 1270 C LEU A 83 4.324 -2.977 0.534 1.00 0.00 C ATOM 1271 O LEU A 83 4.614 -2.395 -0.510 1.00 0.00 O ATOM 1272 CB LEU A 83 6.147 -2.276 2.096 1.00 0.00 C ATOM 1273 CG LEU A 83 5.284 -1.060 2.439 1.00 0.00 C ATOM 1274 CD1 LEU A 83 4.305 -1.398 3.553 1.00 0.00 C ATOM 1275 CD2 LEU A 83 6.159 0.120 2.835 1.00 0.00 C ATOM 0 H LEU A 83 6.844 -3.896 0.011 1.00 0.00 H new ATOM 0 HA LEU A 83 4.941 -4.046 2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.646 -2.610 3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.926 -1.960 1.403 1.00 0.00 H new ATOM 0 HG LEU A 83 4.713 -0.782 1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.700 -0.521 3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.656 -2.213 3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.857 -1.702 4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.528 0.976 3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.757 -0.147 3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.819 0.377 2.007 1.00 0.00 H new ATOM 1287 N ASN A 84 3.070 -3.213 0.906 1.00 0.00 N ATOM 1288 CA ASN A 84 1.938 -2.793 0.089 1.00 0.00 C ATOM 1289 C ASN A 84 0.678 -2.651 0.937 1.00 0.00 C ATOM 1290 O ASN A 84 0.064 -3.643 1.329 1.00 0.00 O ATOM 1291 CB ASN A 84 1.696 -3.798 -1.040 1.00 0.00 C ATOM 1292 CG ASN A 84 1.142 -3.142 -2.289 1.00 0.00 C ATOM 1293 OD1 ASN A 84 -0.072 -3.007 -2.447 1.00 0.00 O ATOM 1294 ND2 ASN A 84 2.032 -2.730 -3.185 1.00 0.00 N ATOM 0 H ASN A 84 2.812 -3.693 1.768 1.00 0.00 H new ATOM 0 HA ASN A 84 2.175 -1.821 -0.343 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.632 -4.301 -1.282 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.002 -4.565 -0.697 1.00 0.00 H new ATOM 0 HD21 ASN A 84 1.719 -2.281 -4.046 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.028 -2.863 -3.012 1.00 0.00 H new ATOM 1301 N THR A 85 0.296 -1.408 1.216 1.00 0.00 N ATOM 1302 CA THR A 85 -0.890 -1.135 2.017 1.00 0.00 C ATOM 1303 C THR A 85 -1.602 0.124 1.533 1.00 0.00 C ATOM 1304 O THR A 85 -0.971 1.051 1.028 1.00 0.00 O ATOM 1305 CB THR A 85 -0.536 -0.970 3.507 1.00 0.00 C ATOM 1306 OG1 THR A 85 -1.727 -1.001 4.301 1.00 0.00 O ATOM 1307 CG2 THR A 85 0.205 0.338 3.746 1.00 0.00 C ATOM 0 H THR A 85 0.791 -0.575 0.899 1.00 0.00 H new ATOM 0 HA THR A 85 -1.554 -1.992 1.902 1.00 0.00 H new ATOM 0 HB THR A 85 0.114 -1.796 3.796 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.550 -0.590 5.173 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.444 0.432 4.805 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.126 0.346 3.164 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.424 1.174 3.440 1.00 0.00 H new ATOM 1315 N LYS A 86 -2.921 0.149 1.692 1.00 0.00 N ATOM 1316 CA LYS A 86 -3.721 1.294 1.273 1.00 0.00 C ATOM 1317 C LYS A 86 -3.887 2.289 2.418 1.00 0.00 C ATOM 1318 O LYS A 86 -4.412 1.948 3.480 1.00 0.00 O ATOM 1319 CB LYS A 86 -5.094 0.831 0.782 1.00 0.00 C ATOM 1320 CG LYS A 86 -6.008 1.972 0.370 1.00 0.00 C ATOM 1321 CD LYS A 86 -7.456 1.519 0.273 1.00 0.00 C ATOM 1322 CE LYS A 86 -7.746 0.867 -1.071 1.00 0.00 C ATOM 1323 NZ LYS A 86 -9.198 0.581 -1.246 1.00 0.00 N ATOM 0 H LYS A 86 -3.459 -0.611 2.108 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.199 1.791 0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.960 0.159 -0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.578 0.255 1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.927 2.783 1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.685 2.369 -0.592 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.672 0.814 1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.117 2.375 0.414 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.405 1.521 -1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.180 -0.061 -1.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.336 -0.011 -2.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.556 0.079 -0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.716 1.475 -1.362 1.00 0.00 H new ATOM 1337 N LEU A 87 -3.440 3.519 2.196 1.00 0.00 N ATOM 1338 CA LEU A 87 -3.541 4.565 3.209 1.00 0.00 C ATOM 1339 C LEU A 87 -4.987 4.750 3.658 1.00 0.00 C ATOM 1340 O LEU A 87 -5.908 4.721 2.842 1.00 0.00 O ATOM 1341 CB LEU A 87 -2.990 5.884 2.665 1.00 0.00 C ATOM 1342 CG LEU A 87 -1.666 5.797 1.908 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -1.408 7.081 1.134 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -0.520 5.511 2.868 1.00 0.00 C ATOM 0 H LEU A 87 -3.004 3.818 1.324 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.949 4.260 4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.737 6.320 2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.863 6.573 3.500 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.730 4.974 1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.461 7.000 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.214 7.243 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.364 7.921 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.415 5.452 2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.454 6.312 3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.699 4.564 3.377 1.00 0.00 H new ATOM 1356 N TRP A 88 -5.177 4.942 4.958 1.00 0.00 N ATOM 1357 CA TRP A 88 -6.512 5.134 5.515 1.00 0.00 C ATOM 1358 C TRP A 88 -6.580 6.420 6.332 1.00 0.00 C ATOM 1359 O TRP A 88 -5.565 6.904 6.832 1.00 0.00 O ATOM 1360 CB TRP A 88 -6.900 3.940 6.388 1.00 0.00 C ATOM 1361 CG TRP A 88 -5.988 3.739 7.560 1.00 0.00 C ATOM 1362 CD1 TRP A 88 -6.156 4.231 8.822 1.00 0.00 C ATOM 1363 CD2 TRP A 88 -4.765 2.996 7.577 1.00 0.00 C ATOM 1364 NE1 TRP A 88 -5.111 3.838 9.624 1.00 0.00 N ATOM 1365 CE2 TRP A 88 -4.245 3.078 8.885 1.00 0.00 C ATOM 1366 CE3 TRP A 88 -4.058 2.266 6.617 1.00 0.00 C ATOM 1367 CZ2 TRP A 88 -3.052 2.460 9.251 1.00 0.00 C ATOM 1368 CZ3 TRP A 88 -2.875 1.653 6.983 1.00 0.00 C ATOM 1369 CH2 TRP A 88 -2.383 1.752 8.291 1.00 0.00 C ATOM 0 H TRP A 88 -4.425 4.969 5.646 1.00 0.00 H new ATOM 0 HA TRP A 88 -7.216 5.213 4.687 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -7.919 4.079 6.749 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.899 3.037 5.777 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.988 4.840 9.143 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -4.999 4.074 10.610 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.430 2.183 5.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -2.668 2.537 10.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -2.320 1.088 6.248 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.457 1.259 8.546 1.00 0.00 H new ATOM 1380 N ALA A 89 -7.783 6.969 6.464 1.00 0.00 N ATOM 1381 CA ALA A 89 -7.983 8.197 7.222 1.00 0.00 C ATOM 1382 C ALA A 89 -7.420 8.069 8.633 1.00 0.00 C ATOM 1383 O ALA A 89 -6.746 8.973 9.127 1.00 0.00 O ATOM 1384 CB ALA A 89 -9.462 8.551 7.273 1.00 0.00 C ATOM 0 H ALA A 89 -8.634 6.582 6.055 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.446 8.999 6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.597 9.471 7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.837 8.694 6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.013 7.743 7.754 1.00 0.00 H new ATOM 1390 N GLN A 90 -7.701 6.941 9.278 1.00 0.00 N ATOM 1391 CA GLN A 90 -7.222 6.697 10.633 1.00 0.00 C ATOM 1392 C GLN A 90 -5.759 6.266 10.625 1.00 0.00 C ATOM 1393 O GLN A 90 -5.316 5.521 11.500 1.00 0.00 O ATOM 1394 CB GLN A 90 -8.077 5.627 11.314 1.00 0.00 C ATOM 1395 CG GLN A 90 -9.573 5.869 11.183 1.00 0.00 C ATOM 1396 CD GLN A 90 -10.045 7.056 11.998 1.00 0.00 C ATOM 1397 OE1 GLN A 90 -9.763 7.155 13.192 1.00 0.00 O ATOM 1398 NE2 GLN A 90 -10.770 7.964 11.356 1.00 0.00 N ATOM 0 H GLN A 90 -8.258 6.182 8.884 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.304 7.629 11.193 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.836 4.654 10.886 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.816 5.583 12.371 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.820 6.032 10.134 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -10.111 4.977 11.503 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -10.980 7.842 10.365 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -11.117 8.784 11.853 1.00 0.00 H new ATOM 1407 N MET A 91 -5.014 6.738 9.630 1.00 0.00 N ATOM 1408 CA MET A 91 -3.600 6.401 9.509 1.00 0.00 C ATOM 1409 C MET A 91 -2.771 7.154 10.545 1.00 0.00 C ATOM 1410 O MET A 91 -3.097 8.282 10.911 1.00 0.00 O ATOM 1411 CB MET A 91 -3.096 6.725 8.101 1.00 0.00 C ATOM 1412 CG MET A 91 -1.581 6.742 7.988 1.00 0.00 C ATOM 1413 SD MET A 91 -1.009 6.570 6.286 1.00 0.00 S ATOM 1414 CE MET A 91 -0.201 4.973 6.360 1.00 0.00 C ATOM 0 H MET A 91 -5.365 7.354 8.897 1.00 0.00 H new ATOM 0 HA MET A 91 -3.490 5.332 9.690 1.00 0.00 H new ATOM 0 HB2 MET A 91 -3.496 5.990 7.403 1.00 0.00 H new ATOM 0 HB3 MET A 91 -3.486 7.697 7.799 1.00 0.00 H new ATOM 0 HG2 MET A 91 -1.200 7.675 8.403 1.00 0.00 H new ATOM 0 HG3 MET A 91 -1.167 5.933 8.590 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.159 4.701 5.368 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.641 5.023 7.051 1.00 0.00 H new ATOM 0 HE3 MET A 91 -0.911 4.222 6.707 1.00 0.00 H new ATOM 1424 N GLN A 92 -1.700 6.521 11.011 1.00 0.00 N ATOM 1425 CA GLN A 92 -0.826 7.132 12.006 1.00 0.00 C ATOM 1426 C GLN A 92 0.549 7.428 11.413 1.00 0.00 C ATOM 1427 O GLN A 92 1.317 6.513 11.115 1.00 0.00 O ATOM 1428 CB GLN A 92 -0.683 6.216 13.222 1.00 0.00 C ATOM 1429 CG GLN A 92 -1.703 6.494 14.315 1.00 0.00 C ATOM 1430 CD GLN A 92 -1.204 7.493 15.339 1.00 0.00 C ATOM 1431 OE1 GLN A 92 -1.009 8.670 15.031 1.00 0.00 O ATOM 1432 NE2 GLN A 92 -0.994 7.030 16.565 1.00 0.00 N ATOM 0 H GLN A 92 -1.416 5.587 10.716 1.00 0.00 H new ATOM 0 HA GLN A 92 -1.277 8.073 12.321 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -0.781 5.179 12.900 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.320 6.328 13.635 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.621 6.871 13.863 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.955 5.560 14.817 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.169 6.047 16.776 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.658 7.657 17.296 1.00 0.00 H new ATOM 1441 N ILE A 93 0.852 8.710 11.247 1.00 0.00 N ATOM 1442 CA ILE A 93 2.134 9.126 10.691 1.00 0.00 C ATOM 1443 C ILE A 93 2.653 10.380 11.386 1.00 0.00 C ATOM 1444 O ILE A 93 2.084 11.463 11.243 1.00 0.00 O ATOM 1445 CB ILE A 93 2.031 9.396 9.178 1.00 0.00 C ATOM 1446 CG1 ILE A 93 3.249 10.186 8.696 1.00 0.00 C ATOM 1447 CG2 ILE A 93 0.746 10.145 8.860 1.00 0.00 C ATOM 1448 CD1 ILE A 93 3.185 10.559 7.231 1.00 0.00 C ATOM 0 H ILE A 93 0.228 9.479 11.489 1.00 0.00 H new ATOM 0 HA ILE A 93 2.832 8.305 10.858 1.00 0.00 H new ATOM 0 HB ILE A 93 2.010 8.441 8.653 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.341 11.095 9.291 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.148 9.596 8.874 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.688 10.328 7.787 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.110 9.548 9.173 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.738 11.097 9.392 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.081 11.117 6.958 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.124 9.653 6.627 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.304 11.175 7.051 1.00 0.00 H new ATOM 1460 N ASP A 94 3.739 10.228 12.136 1.00 0.00 N ATOM 1461 CA ASP A 94 4.338 11.349 12.852 1.00 0.00 C ATOM 1462 C ASP A 94 5.700 11.704 12.264 1.00 0.00 C ATOM 1463 O ASP A 94 6.512 10.823 11.975 1.00 0.00 O ATOM 1464 CB ASP A 94 4.480 11.016 14.337 1.00 0.00 C ATOM 1465 CG ASP A 94 3.195 11.243 15.108 1.00 0.00 C ATOM 1466 OD1 ASP A 94 2.572 12.308 14.919 1.00 0.00 O ATOM 1467 OD2 ASP A 94 2.813 10.357 15.900 1.00 0.00 O ATOM 0 H ASP A 94 4.223 9.339 12.264 1.00 0.00 H new ATOM 0 HA ASP A 94 3.680 12.211 12.743 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.786 9.975 14.445 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.272 11.628 14.769 1.00 0.00 H new ATOM 1472 N LYS A 95 5.944 12.997 12.087 1.00 0.00 N ATOM 1473 CA LYS A 95 7.208 13.469 11.533 1.00 0.00 C ATOM 1474 C LYS A 95 8.265 13.600 12.624 1.00 0.00 C ATOM 1475 O LYS A 95 8.305 14.596 13.346 1.00 0.00 O ATOM 1476 CB LYS A 95 7.011 14.817 10.835 1.00 0.00 C ATOM 1477 CG LYS A 95 8.291 15.396 10.258 1.00 0.00 C ATOM 1478 CD LYS A 95 8.807 14.563 9.096 1.00 0.00 C ATOM 1479 CE LYS A 95 9.622 15.405 8.126 1.00 0.00 C ATOM 1480 NZ LYS A 95 10.305 16.537 8.812 1.00 0.00 N ATOM 0 H LYS A 95 5.283 13.738 12.319 1.00 0.00 H new ATOM 0 HA LYS A 95 7.552 12.736 10.804 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.282 14.698 10.033 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.589 15.527 11.547 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.110 16.417 9.923 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.052 15.446 11.037 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.421 13.747 9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.967 14.111 8.570 1.00 0.00 H new ATOM 0 HE2 LYS A 95 10.365 14.776 7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.968 15.795 7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 11.083 16.885 8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.624 17.305 8.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.686 16.212 9.723 1.00 0.00 H new ATOM 1494 N ALA A 96 9.120 12.589 12.739 1.00 0.00 N ATOM 1495 CA ALA A 96 10.180 12.594 13.740 1.00 0.00 C ATOM 1496 C ALA A 96 11.248 13.629 13.403 1.00 0.00 C ATOM 1497 O ALA A 96 11.791 14.285 14.292 1.00 0.00 O ATOM 1498 CB ALA A 96 10.801 11.210 13.857 1.00 0.00 C ATOM 0 H ALA A 96 9.099 11.756 12.151 1.00 0.00 H new ATOM 0 HA ALA A 96 9.739 12.865 14.700 1.00 0.00 H new ATOM 0 HB1 ALA A 96 11.591 11.228 14.608 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.036 10.492 14.152 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.221 10.917 12.895 1.00 0.00 H new ATOM 1504 N SER A 97 11.545 13.769 12.115 1.00 0.00 N ATOM 1505 CA SER A 97 12.553 14.721 11.663 1.00 0.00 C ATOM 1506 C SER A 97 12.594 14.784 10.139 1.00 0.00 C ATOM 1507 O SER A 97 11.918 14.015 9.457 1.00 0.00 O ATOM 1508 CB SER A 97 13.930 14.336 12.206 1.00 0.00 C ATOM 1509 OG SER A 97 14.701 15.487 12.503 1.00 0.00 O ATOM 0 H SER A 97 11.102 13.236 11.367 1.00 0.00 H new ATOM 0 HA SER A 97 12.284 15.706 12.044 1.00 0.00 H new ATOM 0 HB2 SER A 97 13.814 13.731 13.105 1.00 0.00 H new ATOM 0 HB3 SER A 97 14.454 13.722 11.474 1.00 0.00 H new ATOM 0 HG SER A 97 15.576 15.214 12.850 1.00 0.00 H new ATOM 1515 N GLU A 98 13.393 15.707 9.612 1.00 0.00 N ATOM 1516 CA GLU A 98 13.522 15.873 8.170 1.00 0.00 C ATOM 1517 C GLU A 98 14.438 14.804 7.580 1.00 0.00 C ATOM 1518 O GLU A 98 14.813 14.868 6.408 1.00 0.00 O ATOM 1519 CB GLU A 98 14.065 17.264 7.839 1.00 0.00 C ATOM 1520 CG GLU A 98 15.571 17.385 8.003 1.00 0.00 C ATOM 1521 CD GLU A 98 16.057 18.816 7.890 1.00 0.00 C ATOM 1522 OE1 GLU A 98 15.462 19.585 7.105 1.00 0.00 O ATOM 1523 OE2 GLU A 98 17.034 19.169 8.584 1.00 0.00 O ATOM 0 H GLU A 98 13.961 16.351 10.163 1.00 0.00 H new ATOM 0 HA GLU A 98 12.532 15.764 7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.799 17.514 6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.578 17.997 8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.860 16.983 8.974 1.00 0.00 H new ATOM 0 HG3 GLU A 98 16.065 16.777 7.246 1.00 0.00 H new ATOM 1530 N LYS A 99 14.795 13.822 8.399 1.00 0.00 N ATOM 1531 CA LYS A 99 15.667 12.738 7.961 1.00 0.00 C ATOM 1532 C LYS A 99 14.957 11.393 8.067 1.00 0.00 C ATOM 1533 O LYS A 99 15.214 10.480 7.281 1.00 0.00 O ATOM 1534 CB LYS A 99 16.949 12.717 8.797 1.00 0.00 C ATOM 1535 CG LYS A 99 17.939 13.804 8.419 1.00 0.00 C ATOM 1536 CD LYS A 99 18.780 14.231 9.610 1.00 0.00 C ATOM 1537 CE LYS A 99 20.061 14.925 9.168 1.00 0.00 C ATOM 1538 NZ LYS A 99 21.167 14.720 10.143 1.00 0.00 N ATOM 0 H LYS A 99 14.494 13.754 9.371 1.00 0.00 H new ATOM 0 HA LYS A 99 15.925 12.912 6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.688 12.825 9.850 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.429 11.745 8.686 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.590 13.443 7.623 1.00 0.00 H new ATOM 0 HG3 LYS A 99 17.401 14.666 8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 99 18.201 14.903 10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 99 19.028 13.358 10.214 1.00 0.00 H new ATOM 0 HE2 LYS A 99 20.362 14.544 8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.874 15.992 9.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 22.022 15.208 9.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 20.890 15.106 11.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 21.363 13.703 10.237 1.00 0.00 H new ATOM 1552 N SER A 100 14.061 11.276 9.042 1.00 0.00 N ATOM 1553 CA SER A 100 13.315 10.040 9.252 1.00 0.00 C ATOM 1554 C SER A 100 11.830 10.329 9.441 1.00 0.00 C ATOM 1555 O SER A 100 11.448 11.405 9.900 1.00 0.00 O ATOM 1556 CB SER A 100 13.860 9.291 10.468 1.00 0.00 C ATOM 1557 OG SER A 100 13.450 9.911 11.675 1.00 0.00 O ATOM 0 H SER A 100 13.834 12.022 9.699 1.00 0.00 H new ATOM 0 HA SER A 100 13.436 9.416 8.367 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.511 8.258 10.449 1.00 0.00 H new ATOM 0 HB3 SER A 100 14.949 9.261 10.423 1.00 0.00 H new ATOM 0 HG SER A 100 13.810 9.412 12.438 1.00 0.00 H new ATOM 1563 N ILE A 101 10.995 9.357 9.084 1.00 0.00 N ATOM 1564 CA ILE A 101 9.551 9.506 9.215 1.00 0.00 C ATOM 1565 C ILE A 101 8.907 8.211 9.699 1.00 0.00 C ATOM 1566 O ILE A 101 9.269 7.121 9.255 1.00 0.00 O ATOM 1567 CB ILE A 101 8.904 9.920 7.880 1.00 0.00 C ATOM 1568 CG1 ILE A 101 9.657 11.102 7.269 1.00 0.00 C ATOM 1569 CG2 ILE A 101 7.438 10.269 8.088 1.00 0.00 C ATOM 1570 CD1 ILE A 101 9.470 11.231 5.773 1.00 0.00 C ATOM 0 H ILE A 101 11.294 8.460 8.702 1.00 0.00 H new ATOM 0 HA ILE A 101 9.380 10.292 9.951 1.00 0.00 H new ATOM 0 HB ILE A 101 8.963 9.080 7.188 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.323 12.022 7.749 1.00 0.00 H new ATOM 0 HG13 ILE A 101 10.720 10.996 7.486 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.995 10.560 7.136 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.910 9.402 8.484 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.357 11.096 8.793 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.033 12.091 5.409 1.00 0.00 H new ATOM 0 HD12 ILE A 101 9.830 10.327 5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 101 8.412 11.369 5.549 1.00 0.00 H new ATOM 1582 N HIS A 102 7.948 8.338 10.611 1.00 0.00 N ATOM 1583 CA HIS A 102 7.252 7.177 11.154 1.00 0.00 C ATOM 1584 C HIS A 102 5.865 7.036 10.533 1.00 0.00 C ATOM 1585 O HIS A 102 5.008 7.904 10.702 1.00 0.00 O ATOM 1586 CB HIS A 102 7.133 7.292 12.674 1.00 0.00 C ATOM 1587 CG HIS A 102 8.446 7.188 13.387 1.00 0.00 C ATOM 1588 ND1 HIS A 102 8.583 6.609 14.631 1.00 0.00 N ATOM 1589 CD2 HIS A 102 9.686 7.592 13.022 1.00 0.00 C ATOM 1590 CE1 HIS A 102 9.850 6.663 15.002 1.00 0.00 C ATOM 1591 NE2 HIS A 102 10.540 7.254 14.043 1.00 0.00 N ATOM 0 H HIS A 102 7.636 9.232 10.989 1.00 0.00 H new ATOM 0 HA HIS A 102 7.833 6.288 10.909 1.00 0.00 H new ATOM 0 HB2 HIS A 102 6.668 8.246 12.923 1.00 0.00 H new ATOM 0 HB3 HIS A 102 6.468 6.509 13.038 1.00 0.00 H new ATOM 0 HD2 HIS A 102 9.953 8.087 12.100 1.00 0.00 H new ATOM 0 HE1 HIS A 102 10.253 6.288 15.931 1.00 0.00 H new ATOM 0 HE2 HIS A 102 11.544 7.431 14.058 1.00 0.00 H new ATOM 1599 N ILE A 103 5.653 5.939 9.815 1.00 0.00 N ATOM 1600 CA ILE A 103 4.371 5.686 9.170 1.00 0.00 C ATOM 1601 C ILE A 103 3.880 4.270 9.458 1.00 0.00 C ATOM 1602 O ILE A 103 4.674 3.333 9.551 1.00 0.00 O ATOM 1603 CB ILE A 103 4.458 5.886 7.645 1.00 0.00 C ATOM 1604 CG1 ILE A 103 5.131 4.679 6.987 1.00 0.00 C ATOM 1605 CG2 ILE A 103 5.219 7.164 7.322 1.00 0.00 C ATOM 1606 CD1 ILE A 103 4.159 3.596 6.577 1.00 0.00 C ATOM 0 H ILE A 103 6.352 5.211 9.665 1.00 0.00 H new ATOM 0 HA ILE A 103 3.663 6.405 9.583 1.00 0.00 H new ATOM 0 HB ILE A 103 3.447 5.976 7.247 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.681 5.014 6.108 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.861 4.258 7.679 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.273 7.292 6.241 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.703 8.016 7.763 1.00 0.00 H new ATOM 0 HG23 ILE A 103 6.228 7.100 7.730 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.705 2.772 6.118 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.626 3.233 7.456 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.444 4.001 5.861 1.00 0.00 H new ATOM 1618 N THR A 104 2.566 4.121 9.596 1.00 0.00 N ATOM 1619 CA THR A 104 1.970 2.820 9.872 1.00 0.00 C ATOM 1620 C THR A 104 1.442 2.177 8.595 1.00 0.00 C ATOM 1621 O THR A 104 0.690 2.794 7.842 1.00 0.00 O ATOM 1622 CB THR A 104 0.820 2.935 10.890 1.00 0.00 C ATOM 1623 OG1 THR A 104 -0.057 4.005 10.520 1.00 0.00 O ATOM 1624 CG2 THR A 104 1.361 3.176 12.291 1.00 0.00 C ATOM 0 H THR A 104 1.895 4.885 9.521 1.00 0.00 H new ATOM 0 HA THR A 104 2.756 2.193 10.293 1.00 0.00 H new ATOM 0 HB THR A 104 0.266 1.996 10.888 1.00 0.00 H new ATOM 0 HG1 THR A 104 0.356 4.862 10.754 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.531 3.254 12.993 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.004 2.345 12.580 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.936 4.102 12.305 1.00 0.00 H new ATOM 1632 N ALA A 105 1.838 0.930 8.359 1.00 0.00 N ATOM 1633 CA ALA A 105 1.401 0.201 7.174 1.00 0.00 C ATOM 1634 C ALA A 105 1.313 -1.295 7.453 1.00 0.00 C ATOM 1635 O ALA A 105 1.921 -1.797 8.397 1.00 0.00 O ATOM 1636 CB ALA A 105 2.345 0.468 6.012 1.00 0.00 C ATOM 0 H ALA A 105 2.460 0.404 8.972 1.00 0.00 H new ATOM 0 HA ALA A 105 0.405 0.554 6.907 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.006 -0.083 5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.355 1.535 5.789 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.351 0.143 6.278 1.00 0.00 H new ATOM 1642 N MET A 106 0.551 -2.002 6.624 1.00 0.00 N ATOM 1643 CA MET A 106 0.384 -3.443 6.781 1.00 0.00 C ATOM 1644 C MET A 106 1.453 -4.203 6.003 1.00 0.00 C ATOM 1645 O MET A 106 2.235 -3.607 5.261 1.00 0.00 O ATOM 1646 CB MET A 106 -1.008 -3.871 6.312 1.00 0.00 C ATOM 1647 CG MET A 106 -2.099 -3.626 7.341 1.00 0.00 C ATOM 1648 SD MET A 106 -3.755 -3.814 6.655 1.00 0.00 S ATOM 1649 CE MET A 106 -4.377 -2.141 6.805 1.00 0.00 C ATOM 0 H MET A 106 0.040 -1.601 5.838 1.00 0.00 H new ATOM 0 HA MET A 106 0.492 -3.683 7.839 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.255 -3.332 5.397 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.988 -4.932 6.062 1.00 0.00 H new ATOM 0 HG2 MET A 106 -1.973 -4.321 8.171 1.00 0.00 H new ATOM 0 HG3 MET A 106 -1.990 -2.621 7.748 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.396 -2.096 6.421 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.371 -1.843 7.854 1.00 0.00 H new ATOM 0 HE3 MET A 106 -3.743 -1.464 6.232 1.00 0.00 H new ATOM 1659 N ASP A 107 1.481 -5.519 6.175 1.00 0.00 N ATOM 1660 CA ASP A 107 2.454 -6.360 5.487 1.00 0.00 C ATOM 1661 C ASP A 107 1.772 -7.234 4.439 1.00 0.00 C ATOM 1662 O ASP A 107 0.558 -7.442 4.481 1.00 0.00 O ATOM 1663 CB ASP A 107 3.202 -7.238 6.492 1.00 0.00 C ATOM 1664 CG ASP A 107 4.599 -7.593 6.024 1.00 0.00 C ATOM 1665 OD1 ASP A 107 5.452 -6.683 5.961 1.00 0.00 O ATOM 1666 OD2 ASP A 107 4.839 -8.780 5.717 1.00 0.00 O ATOM 0 H ASP A 107 0.841 -6.027 6.785 1.00 0.00 H new ATOM 0 HA ASP A 107 3.168 -5.709 4.983 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.264 -6.719 7.448 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.636 -8.154 6.662 1.00 0.00 H new ATOM 1671 N THR A 108 2.560 -7.743 3.496 1.00 0.00 N ATOM 1672 CA THR A 108 2.032 -8.592 2.436 1.00 0.00 C ATOM 1673 C THR A 108 1.974 -10.051 2.876 1.00 0.00 C ATOM 1674 O THR A 108 1.038 -10.773 2.536 1.00 0.00 O ATOM 1675 CB THR A 108 2.884 -8.487 1.157 1.00 0.00 C ATOM 1676 OG1 THR A 108 4.213 -8.956 1.414 1.00 0.00 O ATOM 1677 CG2 THR A 108 2.935 -7.052 0.657 1.00 0.00 C ATOM 0 H THR A 108 3.566 -7.582 3.446 1.00 0.00 H new ATOM 0 HA THR A 108 1.023 -8.240 2.222 1.00 0.00 H new ATOM 0 HB THR A 108 2.423 -9.106 0.388 1.00 0.00 H new ATOM 0 HG1 THR A 108 4.748 -8.888 0.596 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.542 -7.003 -0.247 1.00 0.00 H new ATOM 0 HG22 THR A 108 1.925 -6.708 0.435 1.00 0.00 H new ATOM 0 HG23 THR A 108 3.375 -6.415 1.424 1.00 0.00 H new ATOM 1685 N GLU A 109 2.980 -10.475 3.636 1.00 0.00 N ATOM 1686 CA GLU A 109 3.042 -11.848 4.122 1.00 0.00 C ATOM 1687 C GLU A 109 2.550 -11.938 5.564 1.00 0.00 C ATOM 1688 O GLU A 109 1.721 -12.784 5.897 1.00 0.00 O ATOM 1689 CB GLU A 109 4.472 -12.383 4.025 1.00 0.00 C ATOM 1690 CG GLU A 109 5.030 -12.376 2.611 1.00 0.00 C ATOM 1691 CD GLU A 109 6.060 -13.465 2.385 1.00 0.00 C ATOM 1692 OE1 GLU A 109 5.781 -14.630 2.741 1.00 0.00 O ATOM 1693 OE2 GLU A 109 7.146 -13.153 1.852 1.00 0.00 O ATOM 0 H GLU A 109 3.762 -9.888 3.928 1.00 0.00 H new ATOM 0 HA GLU A 109 2.391 -12.457 3.496 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.119 -11.784 4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.497 -13.402 4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.212 -12.502 1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.482 -11.405 2.408 1.00 0.00 H new ATOM 1700 N ASP A 110 3.067 -11.057 6.414 1.00 0.00 N ATOM 1701 CA ASP A 110 2.682 -11.036 7.821 1.00 0.00 C ATOM 1702 C ASP A 110 1.249 -10.538 7.983 1.00 0.00 C ATOM 1703 O ASP A 110 0.610 -10.781 9.006 1.00 0.00 O ATOM 1704 CB ASP A 110 3.637 -10.148 8.619 1.00 0.00 C ATOM 1705 CG ASP A 110 3.290 -10.104 10.095 1.00 0.00 C ATOM 1706 OD1 ASP A 110 2.753 -11.108 10.607 1.00 0.00 O ATOM 1707 OD2 ASP A 110 3.556 -9.067 10.736 1.00 0.00 O ATOM 0 H ASP A 110 3.753 -10.349 6.154 1.00 0.00 H new ATOM 0 HA ASP A 110 2.740 -12.055 8.205 1.00 0.00 H new ATOM 0 HB2 ASP A 110 4.656 -10.516 8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 110 3.613 -9.137 8.213 1.00 0.00 H new ATOM 1712 N GLN A 111 0.752 -9.838 6.968 1.00 0.00 N ATOM 1713 CA GLN A 111 -0.605 -9.305 7.000 1.00 0.00 C ATOM 1714 C GLN A 111 -0.900 -8.650 8.347 1.00 0.00 C ATOM 1715 O GLN A 111 -1.935 -8.909 8.960 1.00 0.00 O ATOM 1716 CB GLN A 111 -1.619 -10.416 6.726 1.00 0.00 C ATOM 1717 CG GLN A 111 -1.526 -10.991 5.322 1.00 0.00 C ATOM 1718 CD GLN A 111 -2.829 -11.614 4.859 1.00 0.00 C ATOM 1719 OE1 GLN A 111 -2.915 -12.827 4.664 1.00 0.00 O ATOM 1720 NE2 GLN A 111 -3.852 -10.785 4.682 1.00 0.00 N ATOM 0 H GLN A 111 1.268 -9.627 6.114 1.00 0.00 H new ATOM 0 HA GLN A 111 -0.690 -8.547 6.221 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -1.471 -11.218 7.449 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -2.624 -10.026 6.884 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -1.239 -10.201 4.628 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -0.738 -11.743 5.293 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -3.735 -9.787 4.856 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -4.754 -11.147 4.372 1.00 0.00 H new ATOM 1729 N GLY A 112 0.017 -7.801 8.800 1.00 0.00 N ATOM 1730 CA GLY A 112 -0.165 -7.124 10.071 1.00 0.00 C ATOM 1731 C GLY A 112 0.281 -5.676 10.025 1.00 0.00 C ATOM 1732 O GLY A 112 1.125 -5.304 9.209 1.00 0.00 O ATOM 0 H GLY A 112 0.882 -7.570 8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.216 -7.168 10.356 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.397 -7.650 10.843 1.00 0.00 H new ATOM 1736 N VAL A 113 -0.288 -4.854 10.902 1.00 0.00 N ATOM 1737 CA VAL A 113 0.056 -3.439 10.958 1.00 0.00 C ATOM 1738 C VAL A 113 1.247 -3.198 11.877 1.00 0.00 C ATOM 1739 O VAL A 113 1.199 -3.504 13.069 1.00 0.00 O ATOM 1740 CB VAL A 113 -1.134 -2.591 11.445 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -0.743 -1.125 11.542 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -2.331 -2.773 10.524 1.00 0.00 C ATOM 0 H VAL A 113 -0.989 -5.145 11.583 1.00 0.00 H new ATOM 0 HA VAL A 113 0.317 -3.137 9.944 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.416 -2.932 12.441 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.597 -0.543 11.888 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.081 -1.014 12.247 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.432 -0.766 10.561 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.162 -2.166 10.884 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -2.064 -2.461 9.514 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.626 -3.822 10.513 1.00 0.00 H new ATOM 1752 N LYS A 114 2.318 -2.647 11.316 1.00 0.00 N ATOM 1753 CA LYS A 114 3.524 -2.362 12.085 1.00 0.00 C ATOM 1754 C LYS A 114 4.014 -0.942 11.823 1.00 0.00 C ATOM 1755 O LYS A 114 3.626 -0.311 10.839 1.00 0.00 O ATOM 1756 CB LYS A 114 4.626 -3.365 11.734 1.00 0.00 C ATOM 1757 CG LYS A 114 4.919 -3.453 10.246 1.00 0.00 C ATOM 1758 CD LYS A 114 5.740 -4.685 9.911 1.00 0.00 C ATOM 1759 CE LYS A 114 4.892 -5.947 9.949 1.00 0.00 C ATOM 1760 NZ LYS A 114 5.727 -7.174 10.078 1.00 0.00 N ATOM 0 H LYS A 114 2.376 -2.389 10.331 1.00 0.00 H new ATOM 0 HA LYS A 114 3.280 -2.454 13.143 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.539 -3.087 12.260 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.337 -4.351 12.098 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.981 -3.478 9.691 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.455 -2.559 9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.181 -4.571 8.921 1.00 0.00 H new ATOM 0 HD3 LYS A 114 6.564 -4.778 10.618 1.00 0.00 H new ATOM 0 HE2 LYS A 114 4.196 -5.892 10.786 1.00 0.00 H new ATOM 0 HE3 LYS A 114 4.293 -6.009 9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.118 -7.986 10.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.223 -7.352 9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.423 -7.042 10.839 1.00 0.00 H new ATOM 1774 N VAL A 115 4.869 -0.442 12.709 1.00 0.00 N ATOM 1775 CA VAL A 115 5.414 0.903 12.573 1.00 0.00 C ATOM 1776 C VAL A 115 6.636 0.912 11.661 1.00 0.00 C ATOM 1777 O VAL A 115 7.704 0.421 12.031 1.00 0.00 O ATOM 1778 CB VAL A 115 5.804 1.493 13.941 1.00 0.00 C ATOM 1779 CG1 VAL A 115 6.436 2.866 13.770 1.00 0.00 C ATOM 1780 CG2 VAL A 115 4.591 1.566 14.855 1.00 0.00 C ATOM 0 H VAL A 115 5.200 -0.949 13.530 1.00 0.00 H new ATOM 0 HA VAL A 115 4.630 1.518 12.131 1.00 0.00 H new ATOM 0 HB VAL A 115 6.540 0.836 14.404 1.00 0.00 H new ATOM 0 HG11 VAL A 115 6.705 3.267 14.747 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.331 2.780 13.154 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.725 3.536 13.286 1.00 0.00 H new ATOM 0 HG21 VAL A 115 4.885 1.985 15.817 1.00 0.00 H new ATOM 0 HG22 VAL A 115 3.830 2.200 14.400 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.187 0.565 15.004 1.00 0.00 H new ATOM 1790 N PHE A 116 6.474 1.471 10.467 1.00 0.00 N ATOM 1791 CA PHE A 116 7.564 1.544 9.502 1.00 0.00 C ATOM 1792 C PHE A 116 8.269 2.895 9.576 1.00 0.00 C ATOM 1793 O PHE A 116 7.696 3.881 10.041 1.00 0.00 O ATOM 1794 CB PHE A 116 7.035 1.309 8.085 1.00 0.00 C ATOM 1795 CG PHE A 116 6.709 -0.128 7.796 1.00 0.00 C ATOM 1796 CD1 PHE A 116 7.719 -1.052 7.583 1.00 0.00 C ATOM 1797 CD2 PHE A 116 5.392 -0.555 7.740 1.00 0.00 C ATOM 1798 CE1 PHE A 116 7.420 -2.376 7.317 1.00 0.00 C ATOM 1799 CE2 PHE A 116 5.087 -1.877 7.475 1.00 0.00 C ATOM 1800 CZ PHE A 116 6.104 -2.789 7.263 1.00 0.00 C ATOM 0 H PHE A 116 5.597 1.881 10.144 1.00 0.00 H new ATOM 0 HA PHE A 116 8.285 0.765 9.748 1.00 0.00 H new ATOM 0 HB2 PHE A 116 6.140 1.913 7.935 1.00 0.00 H new ATOM 0 HB3 PHE A 116 7.778 1.656 7.367 1.00 0.00 H new ATOM 0 HD1 PHE A 116 8.751 -0.735 7.625 1.00 0.00 H new ATOM 0 HD2 PHE A 116 4.594 0.154 7.905 1.00 0.00 H new ATOM 0 HE1 PHE A 116 8.216 -3.087 7.152 1.00 0.00 H new ATOM 0 HE2 PHE A 116 4.056 -2.197 7.434 1.00 0.00 H new ATOM 0 HZ PHE A 116 5.869 -3.823 7.056 1.00 0.00 H new ATOM 1810 N LEU A 117 9.515 2.931 9.117 1.00 0.00 N ATOM 1811 CA LEU A 117 10.300 4.160 9.132 1.00 0.00 C ATOM 1812 C LEU A 117 10.798 4.506 7.732 1.00 0.00 C ATOM 1813 O LEU A 117 10.969 3.625 6.889 1.00 0.00 O ATOM 1814 CB LEU A 117 11.486 4.021 10.088 1.00 0.00 C ATOM 1815 CG LEU A 117 12.342 5.272 10.284 1.00 0.00 C ATOM 1816 CD1 LEU A 117 11.811 6.106 11.440 1.00 0.00 C ATOM 1817 CD2 LEU A 117 13.797 4.892 10.521 1.00 0.00 C ATOM 0 H LEU A 117 10.003 2.123 8.730 1.00 0.00 H new ATOM 0 HA LEU A 117 9.656 4.968 9.478 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.107 3.708 11.061 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.128 3.219 9.723 1.00 0.00 H new ATOM 0 HG LEU A 117 12.288 5.872 9.375 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.433 6.993 11.565 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.785 6.409 11.229 1.00 0.00 H new ATOM 0 HD13 LEU A 117 11.834 5.515 12.356 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.391 5.795 10.658 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.870 4.270 11.413 1.00 0.00 H new ATOM 0 HD23 LEU A 117 14.173 4.338 9.661 1.00 0.00 H new ATOM 1829 N ILE A 118 11.031 5.792 7.493 1.00 0.00 N ATOM 1830 CA ILE A 118 11.512 6.252 6.197 1.00 0.00 C ATOM 1831 C ILE A 118 12.780 7.087 6.345 1.00 0.00 C ATOM 1832 O ILE A 118 12.716 8.289 6.609 1.00 0.00 O ATOM 1833 CB ILE A 118 10.445 7.086 5.462 1.00 0.00 C ATOM 1834 CG1 ILE A 118 9.167 6.266 5.273 1.00 0.00 C ATOM 1835 CG2 ILE A 118 10.978 7.564 4.121 1.00 0.00 C ATOM 1836 CD1 ILE A 118 7.959 7.103 4.914 1.00 0.00 C ATOM 0 H ILE A 118 10.894 6.533 8.180 1.00 0.00 H new ATOM 0 HA ILE A 118 11.733 5.361 5.609 1.00 0.00 H new ATOM 0 HB ILE A 118 10.207 7.960 6.068 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.332 5.526 4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.958 5.717 6.191 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.213 8.152 3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.863 8.180 4.280 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.241 6.703 3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.090 6.456 4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.768 7.825 5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.147 7.632 3.980 1.00 0.00 H new ATOM 1848 N SER A 119 13.929 6.444 6.175 1.00 0.00 N ATOM 1849 CA SER A 119 15.212 7.126 6.292 1.00 0.00 C ATOM 1850 C SER A 119 15.676 7.650 4.936 1.00 0.00 C ATOM 1851 O SER A 119 15.995 6.875 4.035 1.00 0.00 O ATOM 1852 CB SER A 119 16.266 6.181 6.873 1.00 0.00 C ATOM 1853 OG SER A 119 17.486 6.862 7.113 1.00 0.00 O ATOM 0 H SER A 119 13.998 5.450 5.955 1.00 0.00 H new ATOM 0 HA SER A 119 15.083 7.974 6.965 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.898 5.749 7.804 1.00 0.00 H new ATOM 0 HB3 SER A 119 16.437 5.354 6.184 1.00 0.00 H new ATOM 0 HG SER A 119 18.142 6.236 7.486 1.00 0.00 H new ATOM 1859 N ALA A 120 15.709 8.972 4.799 1.00 0.00 N ATOM 1860 CA ALA A 120 16.135 9.600 3.555 1.00 0.00 C ATOM 1861 C ALA A 120 16.843 10.924 3.822 1.00 0.00 C ATOM 1862 O ALA A 120 16.965 11.353 4.969 1.00 0.00 O ATOM 1863 CB ALA A 120 14.940 9.814 2.636 1.00 0.00 C ATOM 0 H ALA A 120 15.446 9.628 5.534 1.00 0.00 H new ATOM 0 HA ALA A 120 16.843 8.933 3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.272 10.284 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 120 14.478 8.853 2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.213 10.459 3.129 1.00 0.00 H new ATOM 1869 N SER A 121 17.309 11.567 2.756 1.00 0.00 N ATOM 1870 CA SER A 121 18.009 12.840 2.877 1.00 0.00 C ATOM 1871 C SER A 121 17.047 13.954 3.278 1.00 0.00 C ATOM 1872 O SER A 121 15.834 13.830 3.111 1.00 0.00 O ATOM 1873 CB SER A 121 18.697 13.195 1.557 1.00 0.00 C ATOM 1874 OG SER A 121 19.725 14.150 1.758 1.00 0.00 O ATOM 0 H SER A 121 17.214 11.227 1.799 1.00 0.00 H new ATOM 0 HA SER A 121 18.764 12.738 3.657 1.00 0.00 H new ATOM 0 HB2 SER A 121 19.116 12.294 1.108 1.00 0.00 H new ATOM 0 HB3 SER A 121 17.962 13.589 0.855 1.00 0.00 H new ATOM 0 HG SER A 121 20.150 14.359 0.900 1.00 0.00 H new ATOM 1880 N SER A 122 17.598 15.040 3.809 1.00 0.00 N ATOM 1881 CA SER A 122 16.789 16.176 4.238 1.00 0.00 C ATOM 1882 C SER A 122 15.726 16.510 3.196 1.00 0.00 C ATOM 1883 O SER A 122 14.620 16.932 3.534 1.00 0.00 O ATOM 1884 CB SER A 122 17.678 17.397 4.487 1.00 0.00 C ATOM 1885 OG SER A 122 18.603 17.579 3.428 1.00 0.00 O ATOM 0 H SER A 122 18.601 15.158 3.953 1.00 0.00 H new ATOM 0 HA SER A 122 16.289 15.904 5.167 1.00 0.00 H new ATOM 0 HB2 SER A 122 17.058 18.288 4.589 1.00 0.00 H new ATOM 0 HB3 SER A 122 18.216 17.273 5.427 1.00 0.00 H new ATOM 0 HG SER A 122 19.158 18.366 3.610 1.00 0.00 H new ATOM 1891 N LYS A 123 16.069 16.318 1.927 1.00 0.00 N ATOM 1892 CA LYS A 123 15.146 16.597 0.834 1.00 0.00 C ATOM 1893 C LYS A 123 14.167 15.444 0.641 1.00 0.00 C ATOM 1894 O LYS A 123 12.968 15.587 0.886 1.00 0.00 O ATOM 1895 CB LYS A 123 15.919 16.845 -0.464 1.00 0.00 C ATOM 1896 CG LYS A 123 15.026 17.073 -1.670 1.00 0.00 C ATOM 1897 CD LYS A 123 14.386 18.452 -1.638 1.00 0.00 C ATOM 1898 CE LYS A 123 13.563 18.714 -2.890 1.00 0.00 C ATOM 1899 NZ LYS A 123 14.411 19.173 -4.025 1.00 0.00 N ATOM 0 H LYS A 123 16.981 15.970 1.630 1.00 0.00 H new ATOM 0 HA LYS A 123 14.580 17.493 1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 123 16.565 17.713 -0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 123 16.568 15.991 -0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 123 15.611 16.964 -2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 123 14.248 16.310 -1.697 1.00 0.00 H new ATOM 0 HD2 LYS A 123 13.749 18.538 -0.758 1.00 0.00 H new ATOM 0 HD3 LYS A 123 15.162 19.212 -1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 123 13.036 17.804 -3.175 1.00 0.00 H new ATOM 0 HE3 LYS A 123 12.805 19.467 -2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 13.813 19.341 -4.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 14.894 20.056 -3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 15.118 18.444 -4.247 1.00 0.00 H new ATOM 1913 N ASP A 124 14.683 14.301 0.203 1.00 0.00 N ATOM 1914 CA ASP A 124 13.853 13.122 -0.020 1.00 0.00 C ATOM 1915 C ASP A 124 12.828 12.961 1.099 1.00 0.00 C ATOM 1916 O ASP A 124 11.622 12.955 0.853 1.00 0.00 O ATOM 1917 CB ASP A 124 14.726 11.869 -0.115 1.00 0.00 C ATOM 1918 CG ASP A 124 15.495 11.797 -1.419 1.00 0.00 C ATOM 1919 OD1 ASP A 124 14.851 11.809 -2.489 1.00 0.00 O ATOM 1920 OD2 ASP A 124 16.741 11.728 -1.370 1.00 0.00 O ATOM 0 H ASP A 124 15.672 14.165 -0.005 1.00 0.00 H new ATOM 0 HA ASP A 124 13.319 13.255 -0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 124 15.428 11.855 0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 124 14.098 10.984 -0.018 1.00 0.00 H new ATOM 1925 N THR A 125 13.316 12.829 2.327 1.00 0.00 N ATOM 1926 CA THR A 125 12.444 12.664 3.483 1.00 0.00 C ATOM 1927 C THR A 125 11.257 13.618 3.416 1.00 0.00 C ATOM 1928 O THR A 125 10.103 13.194 3.459 1.00 0.00 O ATOM 1929 CB THR A 125 13.206 12.902 4.800 1.00 0.00 C ATOM 1930 OG1 THR A 125 14.270 11.953 4.929 1.00 0.00 O ATOM 1931 CG2 THR A 125 12.270 12.786 5.995 1.00 0.00 C ATOM 0 H THR A 125 14.312 12.833 2.548 1.00 0.00 H new ATOM 0 HA THR A 125 12.082 11.636 3.462 1.00 0.00 H new ATOM 0 HB THR A 125 13.619 13.910 4.778 1.00 0.00 H new ATOM 0 HG1 THR A 125 15.125 12.427 4.997 1.00 0.00 H new ATOM 0 HG21 THR A 125 12.830 12.958 6.914 1.00 0.00 H new ATOM 0 HG22 THR A 125 11.477 13.529 5.909 1.00 0.00 H new ATOM 0 HG23 THR A 125 11.832 11.788 6.018 1.00 0.00 H new ATOM 1939 N GLY A 126 11.548 14.911 3.309 1.00 0.00 N ATOM 1940 CA GLY A 126 10.494 15.906 3.237 1.00 0.00 C ATOM 1941 C GLY A 126 9.421 15.541 2.231 1.00 0.00 C ATOM 1942 O GLY A 126 8.232 15.553 2.550 1.00 0.00 O ATOM 0 H GLY A 126 12.495 15.287 3.271 1.00 0.00 H new ATOM 0 HA2 GLY A 126 10.040 16.022 4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 126 10.926 16.870 2.969 1.00 0.00 H new ATOM 1946 N GLN A 127 9.841 15.220 1.011 1.00 0.00 N ATOM 1947 CA GLN A 127 8.907 14.853 -0.047 1.00 0.00 C ATOM 1948 C GLN A 127 7.881 13.845 0.459 1.00 0.00 C ATOM 1949 O GLN A 127 6.699 14.164 0.601 1.00 0.00 O ATOM 1950 CB GLN A 127 9.661 14.274 -1.244 1.00 0.00 C ATOM 1951 CG GLN A 127 10.179 15.331 -2.208 1.00 0.00 C ATOM 1952 CD GLN A 127 11.131 14.763 -3.240 1.00 0.00 C ATOM 1953 OE1 GLN A 127 10.769 13.880 -4.017 1.00 0.00 O ATOM 1954 NE2 GLN A 127 12.360 15.268 -3.253 1.00 0.00 N ATOM 0 H GLN A 127 10.822 15.207 0.731 1.00 0.00 H new ATOM 0 HA GLN A 127 8.380 15.754 -0.361 1.00 0.00 H new ATOM 0 HB2 GLN A 127 10.501 13.682 -0.881 1.00 0.00 H new ATOM 0 HB3 GLN A 127 9.002 13.594 -1.784 1.00 0.00 H new ATOM 0 HG2 GLN A 127 9.335 15.799 -2.716 1.00 0.00 H new ATOM 0 HG3 GLN A 127 10.686 16.114 -1.644 1.00 0.00 H new ATOM 0 HE21 GLN A 127 12.618 15.999 -2.591 1.00 0.00 H new ATOM 0 HE22 GLN A 127 13.046 14.924 -3.925 1.00 0.00 H new ATOM 1963 N LEU A 128 8.338 12.627 0.729 1.00 0.00 N ATOM 1964 CA LEU A 128 7.459 11.571 1.219 1.00 0.00 C ATOM 1965 C LEU A 128 6.431 12.128 2.199 1.00 0.00 C ATOM 1966 O LEU A 128 5.241 12.197 1.892 1.00 0.00 O ATOM 1967 CB LEU A 128 8.280 10.470 1.895 1.00 0.00 C ATOM 1968 CG LEU A 128 8.585 9.240 1.041 1.00 0.00 C ATOM 1969 CD1 LEU A 128 7.357 8.351 0.929 1.00 0.00 C ATOM 1970 CD2 LEU A 128 9.071 9.656 -0.339 1.00 0.00 C ATOM 0 H LEU A 128 9.312 12.346 0.617 1.00 0.00 H new ATOM 0 HA LEU A 128 6.928 11.149 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 128 9.225 10.901 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 128 7.747 10.144 2.788 1.00 0.00 H new ATOM 0 HG LEU A 128 9.378 8.671 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 128 7.593 7.480 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 128 7.052 8.024 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 128 6.544 8.910 0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 128 9.283 8.767 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 128 8.300 10.247 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 128 9.978 10.252 -0.241 1.00 0.00 H new ATOM 1982 N TYR A 129 6.899 12.527 3.376 1.00 0.00 N ATOM 1983 CA TYR A 129 6.021 13.079 4.401 1.00 0.00 C ATOM 1984 C TYR A 129 5.036 14.075 3.795 1.00 0.00 C ATOM 1985 O TYR A 129 3.830 13.988 4.022 1.00 0.00 O ATOM 1986 CB TYR A 129 6.843 13.760 5.495 1.00 0.00 C ATOM 1987 CG TYR A 129 6.004 14.337 6.613 1.00 0.00 C ATOM 1988 CD1 TYR A 129 5.305 13.509 7.483 1.00 0.00 C ATOM 1989 CD2 TYR A 129 5.909 15.711 6.798 1.00 0.00 C ATOM 1990 CE1 TYR A 129 4.537 14.032 8.505 1.00 0.00 C ATOM 1991 CE2 TYR A 129 5.144 16.243 7.817 1.00 0.00 C ATOM 1992 CZ TYR A 129 4.460 15.400 8.668 1.00 0.00 C ATOM 1993 OH TYR A 129 3.696 15.926 9.685 1.00 0.00 O ATOM 0 H TYR A 129 7.882 12.479 3.644 1.00 0.00 H new ATOM 0 HA TYR A 129 5.456 12.257 4.840 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.544 13.038 5.914 1.00 0.00 H new ATOM 0 HB3 TYR A 129 7.436 14.558 5.048 1.00 0.00 H new ATOM 0 HD1 TYR A 129 5.363 12.438 7.358 1.00 0.00 H new ATOM 0 HD2 TYR A 129 6.443 16.374 6.133 1.00 0.00 H new ATOM 0 HE1 TYR A 129 4.000 13.374 9.172 1.00 0.00 H new ATOM 0 HE2 TYR A 129 5.082 17.313 7.947 1.00 0.00 H new ATOM 0 HH TYR A 129 3.750 16.904 9.662 1.00 0.00 H new ATOM 2003 N ALA A 130 5.561 15.021 3.023 1.00 0.00 N ATOM 2004 CA ALA A 130 4.730 16.033 2.383 1.00 0.00 C ATOM 2005 C ALA A 130 3.650 15.390 1.519 1.00 0.00 C ATOM 2006 O ALA A 130 2.579 15.962 1.320 1.00 0.00 O ATOM 2007 CB ALA A 130 5.591 16.969 1.546 1.00 0.00 C ATOM 0 H ALA A 130 6.558 15.107 2.826 1.00 0.00 H new ATOM 0 HA ALA A 130 4.237 16.611 3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.958 17.720 1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 130 6.322 17.462 2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 130 6.110 16.396 0.778 1.00 0.00 H new ATOM 2013 N ALA A 131 3.941 14.198 1.007 1.00 0.00 N ATOM 2014 CA ALA A 131 2.993 13.477 0.167 1.00 0.00 C ATOM 2015 C ALA A 131 1.994 12.694 1.011 1.00 0.00 C ATOM 2016 O ALA A 131 0.783 12.800 0.816 1.00 0.00 O ATOM 2017 CB ALA A 131 3.733 12.544 -0.781 1.00 0.00 C ATOM 0 H ALA A 131 4.825 13.712 1.159 1.00 0.00 H new ATOM 0 HA ALA A 131 2.436 14.208 -0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 131 3.013 12.011 -1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 131 4.401 13.126 -1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 131 4.315 11.826 -0.204 1.00 0.00 H new ATOM 2023 N LEU A 132 2.509 11.907 1.950 1.00 0.00 N ATOM 2024 CA LEU A 132 1.661 11.104 2.825 1.00 0.00 C ATOM 2025 C LEU A 132 0.614 11.974 3.514 1.00 0.00 C ATOM 2026 O LEU A 132 -0.582 11.849 3.251 1.00 0.00 O ATOM 2027 CB LEU A 132 2.512 10.384 3.871 1.00 0.00 C ATOM 2028 CG LEU A 132 3.666 9.539 3.331 1.00 0.00 C ATOM 2029 CD1 LEU A 132 4.625 9.165 4.451 1.00 0.00 C ATOM 2030 CD2 LEU A 132 3.136 8.290 2.643 1.00 0.00 C ATOM 0 H LEU A 132 3.509 11.808 2.125 1.00 0.00 H new ATOM 0 HA LEU A 132 1.146 10.363 2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 132 2.922 11.129 4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 132 1.860 9.739 4.459 1.00 0.00 H new ATOM 0 HG LEU A 132 4.211 10.132 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 132 5.439 8.564 4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 132 5.031 10.071 4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 132 4.092 8.591 5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 132 3.971 7.701 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 132 2.566 7.695 3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 132 2.490 8.578 1.813 1.00 0.00 H new ATOM 2042 N HIS A 133 1.073 12.854 4.398 1.00 0.00 N ATOM 2043 CA HIS A 133 0.175 13.746 5.125 1.00 0.00 C ATOM 2044 C HIS A 133 -1.018 14.138 4.260 1.00 0.00 C ATOM 2045 O HIS A 133 -2.165 13.838 4.594 1.00 0.00 O ATOM 2046 CB HIS A 133 0.925 14.999 5.578 1.00 0.00 C ATOM 2047 CG HIS A 133 0.114 15.897 6.461 1.00 0.00 C ATOM 2048 ND1 HIS A 133 -0.008 17.253 6.247 1.00 0.00 N ATOM 2049 CD2 HIS A 133 -0.623 15.624 7.563 1.00 0.00 C ATOM 2050 CE1 HIS A 133 -0.782 17.776 7.180 1.00 0.00 C ATOM 2051 NE2 HIS A 133 -1.168 16.810 7.992 1.00 0.00 N ATOM 0 H HIS A 133 2.060 12.969 4.628 1.00 0.00 H new ATOM 0 HA HIS A 133 -0.194 13.215 6.002 1.00 0.00 H new ATOM 0 HB2 HIS A 133 1.828 14.699 6.110 1.00 0.00 H new ATOM 0 HB3 HIS A 133 1.244 15.559 4.699 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -0.758 14.655 8.020 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -1.053 18.818 7.264 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -1.772 16.925 8.806 1.00 0.00 H new ATOM 2059 N HIS A 134 -0.741 14.811 3.148 1.00 0.00 N ATOM 2060 CA HIS A 134 -1.793 15.244 2.234 1.00 0.00 C ATOM 2061 C HIS A 134 -2.685 14.071 1.836 1.00 0.00 C ATOM 2062 O HIS A 134 -3.911 14.172 1.873 1.00 0.00 O ATOM 2063 CB HIS A 134 -1.183 15.883 0.986 1.00 0.00 C ATOM 2064 CG HIS A 134 -2.086 15.847 -0.207 1.00 0.00 C ATOM 2065 ND1 HIS A 134 -2.846 16.926 -0.609 1.00 0.00 N ATOM 2066 CD2 HIS A 134 -2.349 14.855 -1.089 1.00 0.00 C ATOM 2067 CE1 HIS A 134 -3.538 16.598 -1.686 1.00 0.00 C ATOM 2068 NE2 HIS A 134 -3.253 15.347 -1.999 1.00 0.00 N ATOM 0 H HIS A 134 0.202 15.068 2.858 1.00 0.00 H new ATOM 0 HA HIS A 134 -2.405 15.984 2.749 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -0.927 16.919 1.207 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -0.253 15.370 0.743 1.00 0.00 H new ATOM 0 HD1 HIS A 134 -2.870 17.835 -0.147 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -1.927 13.861 -1.079 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -4.220 17.243 -2.219 1.00 0.00 H new ATOM 2076 N ARG A 135 -2.060 12.962 1.455 1.00 0.00 N ATOM 2077 CA ARG A 135 -2.796 11.772 1.047 1.00 0.00 C ATOM 2078 C ARG A 135 -3.816 11.374 2.111 1.00 0.00 C ATOM 2079 O ARG A 135 -4.922 10.938 1.791 1.00 0.00 O ATOM 2080 CB ARG A 135 -1.831 10.613 0.791 1.00 0.00 C ATOM 2081 CG ARG A 135 -0.958 10.807 -0.437 1.00 0.00 C ATOM 2082 CD ARG A 135 -1.666 10.348 -1.702 1.00 0.00 C ATOM 2083 NE ARG A 135 -2.476 11.410 -2.292 1.00 0.00 N ATOM 2084 CZ ARG A 135 -2.812 11.452 -3.577 1.00 0.00 C ATOM 2085 NH1 ARG A 135 -2.409 10.495 -4.401 1.00 0.00 N ATOM 2086 NH2 ARG A 135 -3.552 12.450 -4.039 1.00 0.00 N ATOM 0 H ARG A 135 -1.045 12.863 1.420 1.00 0.00 H new ATOM 0 HA ARG A 135 -3.329 12.002 0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -1.191 10.484 1.664 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -2.404 9.693 0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -0.689 11.859 -0.531 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -0.029 10.250 -0.316 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -0.927 10.010 -2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -2.301 9.493 -1.472 1.00 0.00 H new ATOM 0 HE ARG A 135 -2.802 12.161 -1.684 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -1.840 9.725 -4.049 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -2.668 10.529 -5.387 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -3.865 13.188 -3.408 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -3.809 12.480 -5.026 1.00 0.00 H new ATOM 2100 N ILE A 136 -3.436 11.526 3.375 1.00 0.00 N ATOM 2101 CA ILE A 136 -4.317 11.183 4.483 1.00 0.00 C ATOM 2102 C ILE A 136 -5.509 12.132 4.552 1.00 0.00 C ATOM 2103 O ILE A 136 -6.655 11.698 4.671 1.00 0.00 O ATOM 2104 CB ILE A 136 -3.569 11.219 5.829 1.00 0.00 C ATOM 2105 CG1 ILE A 136 -2.143 10.691 5.659 1.00 0.00 C ATOM 2106 CG2 ILE A 136 -4.319 10.406 6.874 1.00 0.00 C ATOM 2107 CD1 ILE A 136 -2.064 9.409 4.859 1.00 0.00 C ATOM 0 H ILE A 136 -2.524 11.885 3.657 1.00 0.00 H new ATOM 0 HA ILE A 136 -4.673 10.169 4.301 1.00 0.00 H new ATOM 0 HB ILE A 136 -3.516 12.253 6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -1.538 11.454 5.169 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -1.707 10.523 6.644 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -3.778 10.441 7.820 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -5.317 10.822 7.011 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -4.400 9.371 6.541 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.024 9.094 4.779 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -2.641 8.632 5.359 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -2.470 9.577 3.861 1.00 0.00 H new ATOM 2119 N LEU A 137 -5.230 13.428 4.476 1.00 0.00 N ATOM 2120 CA LEU A 137 -6.281 14.441 4.527 1.00 0.00 C ATOM 2121 C LEU A 137 -7.434 14.076 3.597 1.00 0.00 C ATOM 2122 O LEU A 137 -8.602 14.228 3.952 1.00 0.00 O ATOM 2123 CB LEU A 137 -5.715 15.809 4.145 1.00 0.00 C ATOM 2124 CG LEU A 137 -4.388 16.194 4.799 1.00 0.00 C ATOM 2125 CD1 LEU A 137 -3.938 17.568 4.328 1.00 0.00 C ATOM 2126 CD2 LEU A 137 -4.512 16.163 6.315 1.00 0.00 C ATOM 0 H LEU A 137 -4.287 13.803 4.379 1.00 0.00 H new ATOM 0 HA LEU A 137 -6.662 14.484 5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -5.585 15.837 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -6.455 16.569 4.397 1.00 0.00 H new ATOM 0 HG LEU A 137 -3.634 15.466 4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -2.992 17.824 4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -3.808 17.557 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -4.691 18.309 4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -3.558 16.440 6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -5.280 16.868 6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -4.787 15.159 6.637 1.00 0.00 H new ATOM 2138 N ALA A 138 -7.097 13.594 2.406 1.00 0.00 N ATOM 2139 CA ALA A 138 -8.104 13.204 1.426 1.00 0.00 C ATOM 2140 C ALA A 138 -8.994 12.091 1.968 1.00 0.00 C ATOM 2141 O ALA A 138 -10.208 12.098 1.764 1.00 0.00 O ATOM 2142 CB ALA A 138 -7.438 12.767 0.130 1.00 0.00 C ATOM 0 H ALA A 138 -6.134 13.464 2.096 1.00 0.00 H new ATOM 0 HA ALA A 138 -8.733 14.071 1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -8.202 12.479 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -6.850 13.592 -0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -6.784 11.917 0.326 1.00 0.00 H new ATOM 2148 N LEU A 139 -8.383 11.134 2.659 1.00 0.00 N ATOM 2149 CA LEU A 139 -9.121 10.012 3.230 1.00 0.00 C ATOM 2150 C LEU A 139 -10.035 10.480 4.357 1.00 0.00 C ATOM 2151 O LEU A 139 -11.230 10.182 4.365 1.00 0.00 O ATOM 2152 CB LEU A 139 -8.150 8.951 3.752 1.00 0.00 C ATOM 2153 CG LEU A 139 -6.843 8.796 2.973 1.00 0.00 C ATOM 2154 CD1 LEU A 139 -6.032 7.631 3.519 1.00 0.00 C ATOM 2155 CD2 LEU A 139 -7.125 8.604 1.490 1.00 0.00 C ATOM 0 H LEU A 139 -7.379 11.113 2.837 1.00 0.00 H new ATOM 0 HA LEU A 139 -9.738 9.576 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -7.906 9.188 4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -8.663 7.989 3.757 1.00 0.00 H new ATOM 0 HG LEU A 139 -6.259 9.708 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -5.105 7.536 2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -5.799 7.810 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -6.609 6.711 3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -6.183 8.495 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -7.730 7.708 1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -7.664 9.470 1.107 1.00 0.00 H new ATOM 2167 N ARG A 140 -9.467 11.216 5.307 1.00 0.00 N ATOM 2168 CA ARG A 140 -10.232 11.726 6.438 1.00 0.00 C ATOM 2169 C ARG A 140 -11.286 12.727 5.976 1.00 0.00 C ATOM 2170 O ARG A 140 -12.269 12.976 6.674 1.00 0.00 O ATOM 2171 CB ARG A 140 -9.299 12.384 7.456 1.00 0.00 C ATOM 2172 CG ARG A 140 -8.351 13.403 6.844 1.00 0.00 C ATOM 2173 CD ARG A 140 -7.670 14.243 7.913 1.00 0.00 C ATOM 2174 NE ARG A 140 -8.631 14.827 8.845 1.00 0.00 N ATOM 2175 CZ ARG A 140 -8.320 15.206 10.079 1.00 0.00 C ATOM 2176 NH1 ARG A 140 -7.080 15.065 10.528 1.00 0.00 N ATOM 2177 NH2 ARG A 140 -9.249 15.730 10.868 1.00 0.00 N ATOM 0 H ARG A 140 -8.480 11.472 5.316 1.00 0.00 H new ATOM 0 HA ARG A 140 -10.739 10.885 6.910 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -9.899 12.874 8.223 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -8.715 11.610 7.954 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -7.597 12.888 6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.903 14.053 6.165 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -6.961 13.624 8.463 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -7.096 15.039 7.438 1.00 0.00 H new ATOM 0 HE ARG A 140 -9.594 14.950 8.531 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -6.362 14.664 9.925 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -6.845 15.357 11.476 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -10.204 15.842 10.527 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -9.009 16.021 11.816 1.00 0.00 H new ATOM 2191 N SER A 141 -11.073 13.299 4.794 1.00 0.00 N ATOM 2192 CA SER A 141 -12.002 14.278 4.241 1.00 0.00 C ATOM 2193 C SER A 141 -13.278 13.599 3.754 1.00 0.00 C ATOM 2194 O SER A 141 -14.354 14.198 3.761 1.00 0.00 O ATOM 2195 CB SER A 141 -11.345 15.040 3.088 1.00 0.00 C ATOM 2196 OG SER A 141 -12.150 16.130 2.673 1.00 0.00 O ATOM 0 H SER A 141 -10.266 13.101 4.202 1.00 0.00 H new ATOM 0 HA SER A 141 -12.264 14.982 5.031 1.00 0.00 H new ATOM 0 HB2 SER A 141 -10.366 15.405 3.400 1.00 0.00 H new ATOM 0 HB3 SER A 141 -11.181 14.365 2.248 1.00 0.00 H new ATOM 0 HG SER A 141 -11.708 16.602 1.937 1.00 0.00 H new ATOM 2202 N ARG A 142 -13.151 12.345 3.331 1.00 0.00 N ATOM 2203 CA ARG A 142 -14.293 11.585 2.840 1.00 0.00 C ATOM 2204 C ARG A 142 -15.211 11.178 3.989 1.00 0.00 C ATOM 2205 O ARG A 142 -16.430 11.326 3.906 1.00 0.00 O ATOM 2206 CB ARG A 142 -13.819 10.340 2.087 1.00 0.00 C ATOM 2207 CG ARG A 142 -12.544 10.560 1.289 1.00 0.00 C ATOM 2208 CD ARG A 142 -12.392 9.525 0.185 1.00 0.00 C ATOM 2209 NE ARG A 142 -11.055 9.542 -0.401 1.00 0.00 N ATOM 2210 CZ ARG A 142 -10.604 10.521 -1.177 1.00 0.00 C ATOM 2211 NH1 ARG A 142 -11.382 11.558 -1.460 1.00 0.00 N ATOM 2212 NH2 ARG A 142 -9.375 10.465 -1.673 1.00 0.00 N ATOM 0 H ARG A 142 -12.268 11.834 3.319 1.00 0.00 H new ATOM 0 HA ARG A 142 -14.855 12.223 2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 142 -13.656 9.534 2.802 1.00 0.00 H new ATOM 0 HB3 ARG A 142 -14.609 10.012 1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 142 -12.554 11.559 0.854 1.00 0.00 H new ATOM 0 HG3 ARG A 142 -11.683 10.511 1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 142 -12.599 8.533 0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 142 -13.131 9.714 -0.593 1.00 0.00 H new ATOM 0 HE ARG A 142 -10.433 8.758 -0.203 1.00 0.00 H new ATOM 0 HH11 ARG A 142 -12.328 11.604 -1.081 1.00 0.00 H new ATOM 0 HH12 ARG A 142 -11.034 12.309 -2.056 1.00 0.00 H new ATOM 0 HH21 ARG A 142 -8.774 9.669 -1.459 1.00 0.00 H new ATOM 0 HH22 ARG A 142 -9.031 11.218 -2.269 1.00 0.00 H new