USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 475 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 34 MET CE :methyl 148:sc= -2.44 (180deg=-1.56) USER MOD Set 1.2: A 36 GLN : amide:sc= -0.156 X(o=-2.1,f=-2.2) USER MOD Set 1.3: A 37 TYR OH : rot -173:sc= 0.709 USER MOD Set 1.4: A 70 HIS : no HD1:sc= -0.228 K(o=-2.1,f=-7!) USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= -0.187 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.148 USER MOD Set 3.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 53 THR OG1 : rot -71:sc= -0.186 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 55 MET CE :methyl 158:sc= -3 (180deg=-6.21!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.2 K(o=0.2,f=-2.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.11 K(o=-1.1,f=-3.1!) USER MOD Single : A 77 SER OG : rot 126:sc= 0.647 USER MOD Single : A 79 HIS : no HD1:sc= -0.278 X(o=-0.28,f=0.0012) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -122:sc= -0.298 (180deg=-0.442) USER MOD ----------------------------------------------------------------- ATOM 330 N VAL A 25 29.092 -24.889 27.149 1.00 0.00 N ATOM 331 CA VAL A 25 27.880 -24.130 26.865 1.00 0.00 C ATOM 332 C VAL A 25 28.196 -22.873 26.062 1.00 0.00 C ATOM 333 O VAL A 25 27.573 -22.609 25.033 1.00 0.00 O ATOM 334 CB VAL A 25 27.152 -23.728 28.161 1.00 0.00 C ATOM 335 CG1 VAL A 25 25.869 -22.975 27.842 1.00 0.00 C ATOM 336 CG2 VAL A 25 26.861 -24.956 29.010 1.00 0.00 C ATOM 0 HA VAL A 25 27.230 -24.779 26.279 1.00 0.00 H new ATOM 0 HB VAL A 25 27.802 -23.065 28.731 1.00 0.00 H new ATOM 0 HG11 VAL A 25 25.369 -22.699 28.770 1.00 0.00 H new ATOM 0 HG12 VAL A 25 26.107 -22.074 27.277 1.00 0.00 H new ATOM 0 HG13 VAL A 25 25.211 -23.612 27.250 1.00 0.00 H new ATOM 0 HG21 VAL A 25 26.346 -24.654 29.922 1.00 0.00 H new ATOM 0 HG22 VAL A 25 26.230 -25.645 28.449 1.00 0.00 H new ATOM 0 HG23 VAL A 25 27.798 -25.450 29.269 1.00 0.00 H new ATOM 346 N ASP A 26 29.166 -22.101 26.538 1.00 0.00 N ATOM 347 CA ASP A 26 29.566 -20.871 25.864 1.00 0.00 C ATOM 348 C ASP A 26 29.877 -21.134 24.394 1.00 0.00 C ATOM 349 O ASP A 26 29.623 -20.290 23.535 1.00 0.00 O ATOM 350 CB ASP A 26 30.785 -20.259 26.555 1.00 0.00 C ATOM 351 CG ASP A 26 30.641 -20.227 28.064 1.00 0.00 C ATOM 352 OD1 ASP A 26 30.059 -19.252 28.583 1.00 0.00 O ATOM 353 OD2 ASP A 26 31.110 -21.177 28.725 1.00 0.00 O ATOM 0 H ASP A 26 29.691 -22.305 27.389 1.00 0.00 H new ATOM 0 HA ASP A 26 28.735 -20.168 25.921 1.00 0.00 H new ATOM 0 HB2 ASP A 26 31.674 -20.831 26.290 1.00 0.00 H new ATOM 0 HB3 ASP A 26 30.937 -19.245 26.186 1.00 0.00 H new ATOM 358 N ASP A 27 30.429 -22.309 24.113 1.00 0.00 N ATOM 359 CA ASP A 27 30.775 -22.684 22.746 1.00 0.00 C ATOM 360 C ASP A 27 29.532 -23.094 21.964 1.00 0.00 C ATOM 361 O ASP A 27 29.292 -22.604 20.860 1.00 0.00 O ATOM 362 CB ASP A 27 31.791 -23.828 22.750 1.00 0.00 C ATOM 363 CG ASP A 27 32.700 -23.798 21.538 1.00 0.00 C ATOM 364 OD1 ASP A 27 32.374 -23.082 20.568 1.00 0.00 O ATOM 365 OD2 ASP A 27 33.739 -24.491 21.559 1.00 0.00 O ATOM 0 H ASP A 27 30.647 -23.018 24.813 1.00 0.00 H new ATOM 0 HA ASP A 27 31.219 -21.816 22.259 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.395 -23.770 23.655 1.00 0.00 H new ATOM 0 HB3 ASP A 27 31.262 -24.780 22.780 1.00 0.00 H new ATOM 370 N TRP A 28 28.746 -23.994 22.542 1.00 0.00 N ATOM 371 CA TRP A 28 27.527 -24.471 21.897 1.00 0.00 C ATOM 372 C TRP A 28 26.610 -23.307 21.538 1.00 0.00 C ATOM 373 O TRP A 28 26.240 -23.131 20.376 1.00 0.00 O ATOM 374 CB TRP A 28 26.792 -25.451 22.812 1.00 0.00 C ATOM 375 CG TRP A 28 25.374 -25.703 22.396 1.00 0.00 C ATOM 376 CD1 TRP A 28 24.935 -26.047 21.150 1.00 0.00 C ATOM 377 CD2 TRP A 28 24.211 -25.629 23.228 1.00 0.00 C ATOM 378 NE1 TRP A 28 23.568 -26.191 21.156 1.00 0.00 N ATOM 379 CE2 TRP A 28 23.100 -25.940 22.419 1.00 0.00 C ATOM 380 CE3 TRP A 28 24.000 -25.331 24.576 1.00 0.00 C ATOM 381 CZ2 TRP A 28 21.800 -25.961 22.917 1.00 0.00 C ATOM 382 CZ3 TRP A 28 22.709 -25.352 25.069 1.00 0.00 C ATOM 383 CH2 TRP A 28 21.622 -25.666 24.241 1.00 0.00 C ATOM 0 H TRP A 28 28.930 -24.409 23.456 1.00 0.00 H new ATOM 0 HA TRP A 28 27.809 -24.984 20.978 1.00 0.00 H new ATOM 0 HB2 TRP A 28 27.332 -26.398 22.827 1.00 0.00 H new ATOM 0 HB3 TRP A 28 26.801 -25.062 23.830 1.00 0.00 H new ATOM 0 HD1 TRP A 28 25.569 -26.186 20.286 1.00 0.00 H new ATOM 0 HE1 TRP A 28 22.995 -26.444 20.351 1.00 0.00 H new ATOM 0 HE3 TRP A 28 24.831 -25.088 25.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 20.961 -26.202 22.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 22.535 -25.123 26.110 1.00 0.00 H new ATOM 0 HH2 TRP A 28 20.625 -25.675 24.656 1.00 0.00 H new ATOM 394 N LEU A 29 26.248 -22.514 22.540 1.00 0.00 N ATOM 395 CA LEU A 29 25.374 -21.365 22.329 1.00 0.00 C ATOM 396 C LEU A 29 25.948 -20.432 21.268 1.00 0.00 C ATOM 397 O LEU A 29 25.210 -19.856 20.468 1.00 0.00 O ATOM 398 CB LEU A 29 25.175 -20.603 23.641 1.00 0.00 C ATOM 399 CG LEU A 29 24.433 -21.354 24.747 1.00 0.00 C ATOM 400 CD1 LEU A 29 24.246 -20.462 25.965 1.00 0.00 C ATOM 401 CD2 LEU A 29 23.089 -21.858 24.241 1.00 0.00 C ATOM 0 H LEU A 29 26.546 -22.645 23.507 1.00 0.00 H new ATOM 0 HA LEU A 29 24.409 -21.733 21.979 1.00 0.00 H new ATOM 0 HB2 LEU A 29 26.154 -20.312 24.021 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.631 -19.684 23.425 1.00 0.00 H new ATOM 0 HG LEU A 29 25.033 -22.215 25.041 1.00 0.00 H new ATOM 0 HD11 LEU A 29 23.716 -21.013 26.742 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.221 -20.151 26.341 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.667 -19.582 25.686 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.575 -22.390 25.042 1.00 0.00 H new ATOM 0 HD22 LEU A 29 22.481 -21.013 23.919 1.00 0.00 H new ATOM 0 HD23 LEU A 29 23.247 -22.533 23.400 1.00 0.00 H new ATOM 413 N SER A 30 27.269 -20.289 21.265 1.00 0.00 N ATOM 414 CA SER A 30 27.942 -19.424 20.303 1.00 0.00 C ATOM 415 C SER A 30 27.865 -20.012 18.897 1.00 0.00 C ATOM 416 O SER A 30 28.064 -19.310 17.907 1.00 0.00 O ATOM 417 CB SER A 30 29.405 -19.222 20.703 1.00 0.00 C ATOM 418 OG SER A 30 30.033 -18.260 19.873 1.00 0.00 O ATOM 0 H SER A 30 27.895 -20.761 21.918 1.00 0.00 H new ATOM 0 HA SER A 30 27.436 -18.459 20.303 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.460 -18.901 21.743 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.938 -20.170 20.634 1.00 0.00 H new ATOM 0 HG SER A 30 30.966 -18.148 20.150 1.00 0.00 H new ATOM 424 N ALA A 31 27.574 -21.306 18.819 1.00 0.00 N ATOM 425 CA ALA A 31 27.467 -21.990 17.536 1.00 0.00 C ATOM 426 C ALA A 31 26.044 -21.920 16.993 1.00 0.00 C ATOM 427 O ALA A 31 25.779 -22.338 15.866 1.00 0.00 O ATOM 428 CB ALA A 31 27.912 -23.438 17.671 1.00 0.00 C ATOM 0 H ALA A 31 27.408 -21.902 19.630 1.00 0.00 H new ATOM 0 HA ALA A 31 28.123 -21.485 16.827 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.827 -23.936 16.705 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.949 -23.470 18.006 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.280 -23.947 18.399 1.00 0.00 H new ATOM 434 N ILE A 32 25.133 -21.390 17.802 1.00 0.00 N ATOM 435 CA ILE A 32 23.737 -21.266 17.401 1.00 0.00 C ATOM 436 C ILE A 32 23.262 -19.820 17.505 1.00 0.00 C ATOM 437 O ILE A 32 22.067 -19.539 17.409 1.00 0.00 O ATOM 438 CB ILE A 32 22.822 -22.157 18.262 1.00 0.00 C ATOM 439 CG1 ILE A 32 23.141 -21.970 19.747 1.00 0.00 C ATOM 440 CG2 ILE A 32 22.977 -23.617 17.862 1.00 0.00 C ATOM 441 CD1 ILE A 32 22.277 -22.809 20.662 1.00 0.00 C ATOM 0 H ILE A 32 25.336 -21.040 18.738 1.00 0.00 H new ATOM 0 HA ILE A 32 23.677 -21.593 16.363 1.00 0.00 H new ATOM 0 HB ILE A 32 21.787 -21.861 18.092 1.00 0.00 H new ATOM 0 HG12 ILE A 32 24.188 -22.220 19.919 1.00 0.00 H new ATOM 0 HG13 ILE A 32 23.017 -20.919 20.007 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.324 -24.235 18.479 1.00 0.00 H new ATOM 0 HG22 ILE A 32 22.706 -23.738 16.813 1.00 0.00 H new ATOM 0 HG23 ILE A 32 24.012 -23.926 18.007 1.00 0.00 H new ATOM 0 HD11 ILE A 32 22.559 -22.625 21.699 1.00 0.00 H new ATOM 0 HD12 ILE A 32 21.230 -22.543 20.518 1.00 0.00 H new ATOM 0 HD13 ILE A 32 22.419 -23.864 20.429 1.00 0.00 H new ATOM 453 N LYS A 33 24.206 -18.906 17.698 1.00 0.00 N ATOM 454 CA LYS A 33 23.886 -17.488 17.812 1.00 0.00 C ATOM 455 C LYS A 33 23.094 -17.208 19.085 1.00 0.00 C ATOM 456 O LYS A 33 22.533 -16.126 19.253 1.00 0.00 O ATOM 457 CB LYS A 33 23.089 -17.025 16.590 1.00 0.00 C ATOM 458 CG LYS A 33 23.635 -17.548 15.273 1.00 0.00 C ATOM 459 CD LYS A 33 23.783 -16.435 14.249 1.00 0.00 C ATOM 460 CE LYS A 33 22.495 -16.219 13.471 1.00 0.00 C ATOM 461 NZ LYS A 33 22.756 -15.720 12.092 1.00 0.00 N ATOM 0 H LYS A 33 25.200 -19.122 17.779 1.00 0.00 H new ATOM 0 HA LYS A 33 24.823 -16.933 17.860 1.00 0.00 H new ATOM 0 HB2 LYS A 33 22.054 -17.348 16.698 1.00 0.00 H new ATOM 0 HB3 LYS A 33 23.081 -15.935 16.563 1.00 0.00 H new ATOM 0 HG2 LYS A 33 24.603 -18.020 15.441 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.969 -18.317 14.882 1.00 0.00 H new ATOM 0 HD2 LYS A 33 24.064 -15.510 14.753 1.00 0.00 H new ATOM 0 HD3 LYS A 33 24.590 -16.680 13.558 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.941 -17.156 13.419 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.865 -15.505 14.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.853 -15.586 11.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.263 -14.813 12.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.335 -16.413 11.576 1.00 0.00 H new ATOM 475 N MET A 34 23.055 -18.191 19.979 1.00 0.00 N ATOM 476 CA MET A 34 22.333 -18.048 21.239 1.00 0.00 C ATOM 477 C MET A 34 23.302 -17.844 22.399 1.00 0.00 C ATOM 478 O MET A 34 22.968 -18.112 23.554 1.00 0.00 O ATOM 479 CB MET A 34 21.464 -19.281 21.495 1.00 0.00 C ATOM 480 CG MET A 34 20.539 -19.624 20.339 1.00 0.00 C ATOM 481 SD MET A 34 19.442 -18.262 19.900 1.00 0.00 S ATOM 482 CE MET A 34 18.329 -18.257 21.304 1.00 0.00 C ATOM 0 H MET A 34 23.514 -19.094 19.855 1.00 0.00 H new ATOM 0 HA MET A 34 21.692 -17.170 21.166 1.00 0.00 H new ATOM 0 HB2 MET A 34 22.110 -20.135 21.698 1.00 0.00 H new ATOM 0 HB3 MET A 34 20.866 -19.114 22.391 1.00 0.00 H new ATOM 0 HG2 MET A 34 21.137 -19.899 19.470 1.00 0.00 H new ATOM 0 HG3 MET A 34 19.941 -20.496 20.604 1.00 0.00 H new ATOM 0 HE1 MET A 34 17.996 -17.238 21.501 1.00 0.00 H new ATOM 0 HE2 MET A 34 17.465 -18.885 21.086 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.848 -18.645 22.181 1.00 0.00 H new ATOM 492 N VAL A 35 24.502 -17.367 22.086 1.00 0.00 N ATOM 493 CA VAL A 35 25.518 -17.125 23.103 1.00 0.00 C ATOM 494 C VAL A 35 25.017 -16.146 24.159 1.00 0.00 C ATOM 495 O VAL A 35 25.528 -16.111 25.278 1.00 0.00 O ATOM 496 CB VAL A 35 26.815 -16.573 22.481 1.00 0.00 C ATOM 497 CG1 VAL A 35 26.776 -15.054 22.425 1.00 0.00 C ATOM 498 CG2 VAL A 35 28.027 -17.056 23.263 1.00 0.00 C ATOM 0 H VAL A 35 24.795 -17.140 21.136 1.00 0.00 H new ATOM 0 HA VAL A 35 25.729 -18.085 23.573 1.00 0.00 H new ATOM 0 HB VAL A 35 26.897 -16.947 21.461 1.00 0.00 H new ATOM 0 HG11 VAL A 35 27.700 -14.682 21.983 1.00 0.00 H new ATOM 0 HG12 VAL A 35 25.929 -14.734 21.818 1.00 0.00 H new ATOM 0 HG13 VAL A 35 26.671 -14.655 23.434 1.00 0.00 H new ATOM 0 HG21 VAL A 35 28.935 -16.657 22.810 1.00 0.00 H new ATOM 0 HG22 VAL A 35 27.955 -16.712 24.295 1.00 0.00 H new ATOM 0 HG23 VAL A 35 28.061 -18.145 23.245 1.00 0.00 H new ATOM 508 N GLN A 36 24.015 -15.353 23.794 1.00 0.00 N ATOM 509 CA GLN A 36 23.445 -14.373 24.711 1.00 0.00 C ATOM 510 C GLN A 36 22.982 -15.040 26.002 1.00 0.00 C ATOM 511 O GLN A 36 22.913 -14.401 27.052 1.00 0.00 O ATOM 512 CB GLN A 36 22.272 -13.646 24.050 1.00 0.00 C ATOM 513 CG GLN A 36 21.056 -14.530 23.828 1.00 0.00 C ATOM 514 CD GLN A 36 19.990 -13.856 22.987 1.00 0.00 C ATOM 515 OE1 GLN A 36 19.727 -12.663 23.137 1.00 0.00 O ATOM 516 NE2 GLN A 36 19.370 -14.619 22.094 1.00 0.00 N ATOM 0 H GLN A 36 23.581 -15.370 22.871 1.00 0.00 H new ATOM 0 HA GLN A 36 24.221 -13.648 24.956 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.985 -12.797 24.671 1.00 0.00 H new ATOM 0 HB3 GLN A 36 22.598 -13.244 23.091 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.367 -15.454 23.341 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.631 -14.806 24.793 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.620 -15.604 22.003 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.644 -14.220 21.499 1.00 0.00 H new ATOM 525 N TYR A 37 22.666 -16.327 25.917 1.00 0.00 N ATOM 526 CA TYR A 37 22.206 -17.080 27.078 1.00 0.00 C ATOM 527 C TYR A 37 23.340 -17.910 27.672 1.00 0.00 C ATOM 528 O TYR A 37 23.106 -18.950 28.287 1.00 0.00 O ATOM 529 CB TYR A 37 21.040 -17.991 26.693 1.00 0.00 C ATOM 530 CG TYR A 37 19.828 -17.242 26.186 1.00 0.00 C ATOM 531 CD1 TYR A 37 19.039 -16.492 27.051 1.00 0.00 C ATOM 532 CD2 TYR A 37 19.471 -17.283 24.844 1.00 0.00 C ATOM 533 CE1 TYR A 37 17.930 -15.807 26.593 1.00 0.00 C ATOM 534 CE2 TYR A 37 18.366 -16.600 24.377 1.00 0.00 C ATOM 535 CZ TYR A 37 17.598 -15.863 25.255 1.00 0.00 C ATOM 536 OH TYR A 37 16.495 -15.182 24.794 1.00 0.00 O ATOM 0 H TYR A 37 22.720 -16.871 25.056 1.00 0.00 H new ATOM 0 HA TYR A 37 21.868 -16.368 27.830 1.00 0.00 H new ATOM 0 HB2 TYR A 37 21.373 -18.689 25.925 1.00 0.00 H new ATOM 0 HB3 TYR A 37 20.753 -18.586 27.560 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.297 -16.444 28.099 1.00 0.00 H new ATOM 0 HD2 TYR A 37 20.069 -17.860 24.154 1.00 0.00 H new ATOM 0 HE1 TYR A 37 17.326 -15.231 27.279 1.00 0.00 H new ATOM 0 HE2 TYR A 37 18.104 -16.642 23.330 1.00 0.00 H new ATOM 0 HH TYR A 37 16.341 -15.408 23.853 1.00 0.00 H new ATOM 546 N ARG A 38 24.569 -17.442 27.483 1.00 0.00 N ATOM 547 CA ARG A 38 25.741 -18.140 27.999 1.00 0.00 C ATOM 548 C ARG A 38 25.824 -18.013 29.518 1.00 0.00 C ATOM 549 O ARG A 38 26.402 -18.866 30.191 1.00 0.00 O ATOM 550 CB ARG A 38 27.015 -17.585 27.360 1.00 0.00 C ATOM 551 CG ARG A 38 27.308 -16.143 27.739 1.00 0.00 C ATOM 552 CD ARG A 38 28.746 -15.764 27.419 1.00 0.00 C ATOM 553 NE ARG A 38 28.873 -15.172 26.090 1.00 0.00 N ATOM 554 CZ ARG A 38 28.601 -13.899 25.824 1.00 0.00 C ATOM 555 NH1 ARG A 38 28.191 -13.089 26.790 1.00 0.00 N ATOM 556 NH2 ARG A 38 28.741 -13.434 24.589 1.00 0.00 N ATOM 0 H ARG A 38 24.780 -16.582 26.976 1.00 0.00 H new ATOM 0 HA ARG A 38 25.645 -19.195 27.744 1.00 0.00 H new ATOM 0 HB2 ARG A 38 27.860 -18.208 27.654 1.00 0.00 H new ATOM 0 HB3 ARG A 38 26.928 -17.656 26.276 1.00 0.00 H new ATOM 0 HG2 ARG A 38 26.628 -15.480 27.204 1.00 0.00 H new ATOM 0 HG3 ARG A 38 27.121 -16.000 28.803 1.00 0.00 H new ATOM 0 HD2 ARG A 38 29.110 -15.059 28.166 1.00 0.00 H new ATOM 0 HD3 ARG A 38 29.377 -16.650 27.483 1.00 0.00 H new ATOM 0 HE ARG A 38 29.188 -15.768 25.324 1.00 0.00 H new ATOM 0 HH11 ARG A 38 28.084 -13.443 27.741 1.00 0.00 H new ATOM 0 HH12 ARG A 38 27.983 -12.112 26.583 1.00 0.00 H new ATOM 0 HH21 ARG A 38 29.058 -14.054 23.843 1.00 0.00 H new ATOM 0 HH22 ARG A 38 28.532 -12.457 24.385 1.00 0.00 H new ATOM 570 N ASP A 39 25.243 -16.943 30.049 1.00 0.00 N ATOM 571 CA ASP A 39 25.251 -16.705 31.488 1.00 0.00 C ATOM 572 C ASP A 39 24.023 -17.323 32.148 1.00 0.00 C ATOM 573 O ASP A 39 24.055 -17.686 33.324 1.00 0.00 O ATOM 574 CB ASP A 39 25.300 -15.204 31.777 1.00 0.00 C ATOM 575 CG ASP A 39 26.713 -14.702 31.999 1.00 0.00 C ATOM 576 OD1 ASP A 39 27.619 -15.136 31.258 1.00 0.00 O ATOM 577 OD2 ASP A 39 26.913 -13.875 32.913 1.00 0.00 O ATOM 0 H ASP A 39 24.761 -16.227 29.505 1.00 0.00 H new ATOM 0 HA ASP A 39 26.141 -17.177 31.905 1.00 0.00 H new ATOM 0 HB2 ASP A 39 24.852 -14.662 30.944 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.698 -14.987 32.659 1.00 0.00 H new ATOM 582 N SER A 40 22.942 -17.440 31.384 1.00 0.00 N ATOM 583 CA SER A 40 21.702 -18.010 31.896 1.00 0.00 C ATOM 584 C SER A 40 21.908 -19.458 32.331 1.00 0.00 C ATOM 585 O SER A 40 21.427 -19.876 33.384 1.00 0.00 O ATOM 586 CB SER A 40 20.604 -17.936 30.833 1.00 0.00 C ATOM 587 OG SER A 40 19.626 -16.970 31.175 1.00 0.00 O ATOM 0 H SER A 40 22.900 -17.147 30.408 1.00 0.00 H new ATOM 0 HA SER A 40 21.396 -17.428 32.765 1.00 0.00 H new ATOM 0 HB2 SER A 40 21.044 -17.686 29.868 1.00 0.00 H new ATOM 0 HB3 SER A 40 20.132 -18.913 30.725 1.00 0.00 H new ATOM 0 HG SER A 40 18.937 -16.941 30.479 1.00 0.00 H new ATOM 593 N PHE A 41 22.628 -20.218 31.512 1.00 0.00 N ATOM 594 CA PHE A 41 22.898 -21.619 31.810 1.00 0.00 C ATOM 595 C PHE A 41 23.992 -21.750 32.866 1.00 0.00 C ATOM 596 O PHE A 41 23.899 -22.577 33.774 1.00 0.00 O ATOM 597 CB PHE A 41 23.310 -22.363 30.538 1.00 0.00 C ATOM 598 CG PHE A 41 22.174 -22.594 29.584 1.00 0.00 C ATOM 599 CD1 PHE A 41 21.154 -23.477 29.901 1.00 0.00 C ATOM 600 CD2 PHE A 41 22.124 -21.927 28.370 1.00 0.00 C ATOM 601 CE1 PHE A 41 20.108 -23.692 29.024 1.00 0.00 C ATOM 602 CE2 PHE A 41 21.080 -22.138 27.490 1.00 0.00 C ATOM 603 CZ PHE A 41 20.070 -23.021 27.817 1.00 0.00 C ATOM 0 H PHE A 41 23.035 -19.887 30.637 1.00 0.00 H new ATOM 0 HA PHE A 41 21.983 -22.063 32.203 1.00 0.00 H new ATOM 0 HB2 PHE A 41 24.090 -21.795 30.031 1.00 0.00 H new ATOM 0 HB3 PHE A 41 23.744 -23.324 30.813 1.00 0.00 H new ATOM 0 HD1 PHE A 41 21.177 -24.003 30.844 1.00 0.00 H new ATOM 0 HD2 PHE A 41 22.910 -21.234 28.109 1.00 0.00 H new ATOM 0 HE1 PHE A 41 19.320 -24.384 29.282 1.00 0.00 H new ATOM 0 HE2 PHE A 41 21.054 -21.613 26.547 1.00 0.00 H new ATOM 0 HZ PHE A 41 19.252 -23.187 27.131 1.00 0.00 H new ATOM 613 N LEU A 42 25.028 -20.928 32.740 1.00 0.00 N ATOM 614 CA LEU A 42 26.141 -20.950 33.683 1.00 0.00 C ATOM 615 C LEU A 42 25.646 -20.770 35.114 1.00 0.00 C ATOM 616 O LEU A 42 25.848 -21.636 35.967 1.00 0.00 O ATOM 617 CB LEU A 42 27.149 -19.852 33.338 1.00 0.00 C ATOM 618 CG LEU A 42 28.132 -20.174 32.212 1.00 0.00 C ATOM 619 CD1 LEU A 42 28.850 -18.914 31.754 1.00 0.00 C ATOM 620 CD2 LEU A 42 29.134 -21.227 32.662 1.00 0.00 C ATOM 0 H LEU A 42 25.121 -20.238 31.994 1.00 0.00 H new ATOM 0 HA LEU A 42 26.630 -21.921 33.607 1.00 0.00 H new ATOM 0 HB2 LEU A 42 26.597 -18.952 33.065 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.720 -19.616 34.236 1.00 0.00 H new ATOM 0 HG LEU A 42 27.569 -20.574 31.369 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.545 -19.163 30.952 1.00 0.00 H new ATOM 0 HD12 LEU A 42 28.120 -18.191 31.390 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.400 -18.484 32.591 1.00 0.00 H new ATOM 0 HD21 LEU A 42 29.825 -21.443 31.847 1.00 0.00 H new ATOM 0 HD22 LEU A 42 29.691 -20.855 33.522 1.00 0.00 H new ATOM 0 HD23 LEU A 42 28.604 -22.138 32.940 1.00 0.00 H new ATOM 632 N THR A 43 24.995 -19.640 35.373 1.00 0.00 N ATOM 633 CA THR A 43 24.470 -19.347 36.700 1.00 0.00 C ATOM 634 C THR A 43 23.451 -20.395 37.133 1.00 0.00 C ATOM 635 O THR A 43 23.342 -20.717 38.315 1.00 0.00 O ATOM 636 CB THR A 43 23.810 -17.956 36.749 1.00 0.00 C ATOM 637 OG1 THR A 43 23.410 -17.650 38.089 1.00 0.00 O ATOM 638 CG2 THR A 43 22.601 -17.898 35.827 1.00 0.00 C ATOM 0 H THR A 43 24.819 -18.913 34.680 1.00 0.00 H new ATOM 0 HA THR A 43 25.318 -19.364 37.385 1.00 0.00 H new ATOM 0 HB THR A 43 24.540 -17.220 36.412 1.00 0.00 H new ATOM 0 HG1 THR A 43 22.993 -16.764 38.111 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.151 -16.906 35.878 1.00 0.00 H new ATOM 0 HG22 THR A 43 22.914 -18.102 34.803 1.00 0.00 H new ATOM 0 HG23 THR A 43 21.870 -18.644 36.138 1.00 0.00 H new ATOM 646 N ALA A 44 22.707 -20.925 36.167 1.00 0.00 N ATOM 647 CA ALA A 44 21.699 -21.939 36.448 1.00 0.00 C ATOM 648 C ALA A 44 22.340 -23.218 36.977 1.00 0.00 C ATOM 649 O ALA A 44 21.682 -24.031 37.625 1.00 0.00 O ATOM 650 CB ALA A 44 20.884 -22.233 35.197 1.00 0.00 C ATOM 0 H ALA A 44 22.784 -20.668 35.183 1.00 0.00 H new ATOM 0 HA ALA A 44 21.034 -21.551 37.219 1.00 0.00 H new ATOM 0 HB1 ALA A 44 20.135 -22.992 35.421 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.388 -21.321 34.863 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.544 -22.596 34.410 1.00 0.00 H new ATOM 656 N GLY A 45 23.628 -23.390 36.695 1.00 0.00 N ATOM 657 CA GLY A 45 24.335 -24.572 37.150 1.00 0.00 C ATOM 658 C GLY A 45 24.637 -25.537 36.020 1.00 0.00 C ATOM 659 O GLY A 45 24.951 -26.704 36.258 1.00 0.00 O ATOM 0 H GLY A 45 24.194 -22.732 36.160 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.268 -24.272 37.627 1.00 0.00 H new ATOM 0 HA3 GLY A 45 23.738 -25.080 37.908 1.00 0.00 H new ATOM 663 N PHE A 46 24.541 -25.051 34.787 1.00 0.00 N ATOM 664 CA PHE A 46 24.803 -25.880 33.616 1.00 0.00 C ATOM 665 C PHE A 46 26.048 -25.398 32.877 1.00 0.00 C ATOM 666 O PHE A 46 25.963 -24.591 31.951 1.00 0.00 O ATOM 667 CB PHE A 46 23.598 -25.863 32.673 1.00 0.00 C ATOM 668 CG PHE A 46 22.286 -26.069 33.373 1.00 0.00 C ATOM 669 CD1 PHE A 46 21.965 -27.299 33.925 1.00 0.00 C ATOM 670 CD2 PHE A 46 21.373 -25.032 33.481 1.00 0.00 C ATOM 671 CE1 PHE A 46 20.758 -27.491 34.569 1.00 0.00 C ATOM 672 CE2 PHE A 46 20.164 -25.218 34.124 1.00 0.00 C ATOM 673 CZ PHE A 46 19.856 -26.449 34.670 1.00 0.00 C ATOM 0 H PHE A 46 24.284 -24.088 34.573 1.00 0.00 H new ATOM 0 HA PHE A 46 24.975 -26.901 33.956 1.00 0.00 H new ATOM 0 HB2 PHE A 46 23.573 -24.910 32.145 1.00 0.00 H new ATOM 0 HB3 PHE A 46 23.725 -26.641 31.920 1.00 0.00 H new ATOM 0 HD1 PHE A 46 22.666 -28.117 33.851 1.00 0.00 H new ATOM 0 HD2 PHE A 46 21.609 -24.067 33.058 1.00 0.00 H new ATOM 0 HE1 PHE A 46 20.519 -28.455 34.993 1.00 0.00 H new ATOM 0 HE2 PHE A 46 19.461 -24.402 34.200 1.00 0.00 H new ATOM 0 HZ PHE A 46 18.913 -26.597 35.175 1.00 0.00 H new ATOM 683 N THR A 47 27.207 -25.899 33.294 1.00 0.00 N ATOM 684 CA THR A 47 28.471 -25.520 32.675 1.00 0.00 C ATOM 685 C THR A 47 28.909 -26.554 31.644 1.00 0.00 C ATOM 686 O THR A 47 29.649 -26.239 30.711 1.00 0.00 O ATOM 687 CB THR A 47 29.585 -25.355 33.726 1.00 0.00 C ATOM 688 OG1 THR A 47 29.978 -26.637 34.228 1.00 0.00 O ATOM 689 CG2 THR A 47 29.118 -24.476 34.876 1.00 0.00 C ATOM 0 H THR A 47 27.296 -26.569 34.058 1.00 0.00 H new ATOM 0 HA THR A 47 28.306 -24.563 32.179 1.00 0.00 H new ATOM 0 HB THR A 47 30.438 -24.876 33.247 1.00 0.00 H new ATOM 0 HG1 THR A 47 30.688 -26.524 34.894 1.00 0.00 H new ATOM 0 HG21 THR A 47 29.921 -24.374 35.606 1.00 0.00 H new ATOM 0 HG22 THR A 47 28.847 -23.492 34.495 1.00 0.00 H new ATOM 0 HG23 THR A 47 28.250 -24.932 35.353 1.00 0.00 H new ATOM 697 N SER A 48 28.448 -27.788 31.817 1.00 0.00 N ATOM 698 CA SER A 48 28.796 -28.869 30.902 1.00 0.00 C ATOM 699 C SER A 48 27.600 -29.254 30.036 1.00 0.00 C ATOM 700 O SER A 48 26.469 -29.329 30.517 1.00 0.00 O ATOM 701 CB SER A 48 29.287 -30.089 31.684 1.00 0.00 C ATOM 702 OG SER A 48 30.316 -29.734 32.591 1.00 0.00 O ATOM 0 H SER A 48 27.833 -28.065 32.582 1.00 0.00 H new ATOM 0 HA SER A 48 29.596 -28.517 30.251 1.00 0.00 H new ATOM 0 HB2 SER A 48 28.455 -30.534 32.230 1.00 0.00 H new ATOM 0 HB3 SER A 48 29.654 -30.845 30.991 1.00 0.00 H new ATOM 0 HG SER A 48 30.611 -30.531 33.079 1.00 0.00 H new ATOM 708 N LEU A 49 27.859 -29.495 28.756 1.00 0.00 N ATOM 709 CA LEU A 49 26.805 -29.872 27.820 1.00 0.00 C ATOM 710 C LEU A 49 26.120 -31.162 28.262 1.00 0.00 C ATOM 711 O LEU A 49 24.932 -31.361 28.012 1.00 0.00 O ATOM 712 CB LEU A 49 27.382 -30.043 26.414 1.00 0.00 C ATOM 713 CG LEU A 49 27.950 -28.782 25.763 1.00 0.00 C ATOM 714 CD1 LEU A 49 28.987 -29.144 24.711 1.00 0.00 C ATOM 715 CD2 LEU A 49 26.835 -27.948 25.150 1.00 0.00 C ATOM 0 H LEU A 49 28.789 -29.436 28.342 1.00 0.00 H new ATOM 0 HA LEU A 49 26.062 -29.074 27.807 1.00 0.00 H new ATOM 0 HB2 LEU A 49 28.172 -30.793 26.456 1.00 0.00 H new ATOM 0 HB3 LEU A 49 26.599 -30.440 25.768 1.00 0.00 H new ATOM 0 HG LEU A 49 28.438 -28.188 26.535 1.00 0.00 H new ATOM 0 HD11 LEU A 49 29.380 -28.233 24.259 1.00 0.00 H new ATOM 0 HD12 LEU A 49 29.801 -29.698 25.178 1.00 0.00 H new ATOM 0 HD13 LEU A 49 28.524 -29.761 23.941 1.00 0.00 H new ATOM 0 HD21 LEU A 49 27.259 -27.055 24.691 1.00 0.00 H new ATOM 0 HD22 LEU A 49 26.317 -28.534 24.391 1.00 0.00 H new ATOM 0 HD23 LEU A 49 26.129 -27.657 25.928 1.00 0.00 H new ATOM 727 N GLN A 50 26.878 -32.032 28.921 1.00 0.00 N ATOM 728 CA GLN A 50 26.343 -33.301 29.399 1.00 0.00 C ATOM 729 C GLN A 50 25.086 -33.083 30.234 1.00 0.00 C ATOM 730 O GLN A 50 24.194 -33.932 30.267 1.00 0.00 O ATOM 731 CB GLN A 50 27.395 -34.044 30.225 1.00 0.00 C ATOM 732 CG GLN A 50 27.719 -33.368 31.548 1.00 0.00 C ATOM 733 CD GLN A 50 28.795 -34.097 32.328 1.00 0.00 C ATOM 734 OE1 GLN A 50 29.195 -35.204 31.969 1.00 0.00 O ATOM 735 NE2 GLN A 50 29.270 -33.477 33.402 1.00 0.00 N ATOM 0 H GLN A 50 27.864 -31.882 29.136 1.00 0.00 H new ATOM 0 HA GLN A 50 26.080 -33.905 28.530 1.00 0.00 H new ATOM 0 HB2 GLN A 50 27.042 -35.057 30.421 1.00 0.00 H new ATOM 0 HB3 GLN A 50 28.309 -34.133 29.638 1.00 0.00 H new ATOM 0 HG2 GLN A 50 28.043 -32.345 31.359 1.00 0.00 H new ATOM 0 HG3 GLN A 50 26.814 -33.309 32.153 1.00 0.00 H new ATOM 0 HE21 GLN A 50 28.909 -32.559 33.663 1.00 0.00 H new ATOM 0 HE22 GLN A 50 29.996 -33.918 33.966 1.00 0.00 H new ATOM 744 N LEU A 51 25.021 -31.939 30.908 1.00 0.00 N ATOM 745 CA LEU A 51 23.872 -31.609 31.744 1.00 0.00 C ATOM 746 C LEU A 51 22.783 -30.922 30.926 1.00 0.00 C ATOM 747 O LEU A 51 21.602 -30.988 31.265 1.00 0.00 O ATOM 748 CB LEU A 51 24.302 -30.706 32.901 1.00 0.00 C ATOM 749 CG LEU A 51 25.319 -31.302 33.875 1.00 0.00 C ATOM 750 CD1 LEU A 51 25.631 -30.317 34.991 1.00 0.00 C ATOM 751 CD2 LEU A 51 24.803 -32.614 34.449 1.00 0.00 C ATOM 0 H LEU A 51 25.750 -31.226 30.892 1.00 0.00 H new ATOM 0 HA LEU A 51 23.467 -32.538 32.146 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.721 -29.790 32.484 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.413 -30.422 33.464 1.00 0.00 H new ATOM 0 HG LEU A 51 26.240 -31.504 33.329 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.356 -30.759 35.674 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.044 -29.403 34.565 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.716 -30.082 35.535 1.00 0.00 H new ATOM 0 HD21 LEU A 51 25.540 -33.024 35.140 1.00 0.00 H new ATOM 0 HD22 LEU A 51 23.868 -32.436 34.980 1.00 0.00 H new ATOM 0 HD23 LEU A 51 24.632 -33.323 33.639 1.00 0.00 H new ATOM 763 N VAL A 52 23.189 -30.263 29.845 1.00 0.00 N ATOM 764 CA VAL A 52 22.248 -29.567 28.976 1.00 0.00 C ATOM 765 C VAL A 52 21.523 -30.543 28.056 1.00 0.00 C ATOM 766 O VAL A 52 20.430 -30.257 27.564 1.00 0.00 O ATOM 767 CB VAL A 52 22.957 -28.502 28.118 1.00 0.00 C ATOM 768 CG1 VAL A 52 21.966 -27.813 27.193 1.00 0.00 C ATOM 769 CG2 VAL A 52 23.664 -27.489 29.006 1.00 0.00 C ATOM 0 H VAL A 52 24.163 -30.197 29.550 1.00 0.00 H new ATOM 0 HA VAL A 52 21.523 -29.077 29.625 1.00 0.00 H new ATOM 0 HB VAL A 52 23.707 -28.997 27.501 1.00 0.00 H new ATOM 0 HG11 VAL A 52 22.486 -27.064 26.595 1.00 0.00 H new ATOM 0 HG12 VAL A 52 21.510 -28.551 26.533 1.00 0.00 H new ATOM 0 HG13 VAL A 52 21.190 -27.329 27.786 1.00 0.00 H new ATOM 0 HG21 VAL A 52 24.160 -26.744 28.384 1.00 0.00 H new ATOM 0 HG22 VAL A 52 22.934 -26.997 29.650 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.405 -27.999 29.621 1.00 0.00 H new ATOM 779 N THR A 53 22.137 -31.700 27.827 1.00 0.00 N ATOM 780 CA THR A 53 21.551 -32.719 26.966 1.00 0.00 C ATOM 781 C THR A 53 20.286 -33.301 27.585 1.00 0.00 C ATOM 782 O THR A 53 19.445 -33.866 26.886 1.00 0.00 O ATOM 783 CB THR A 53 22.547 -33.862 26.691 1.00 0.00 C ATOM 784 OG1 THR A 53 23.072 -34.362 27.926 1.00 0.00 O ATOM 785 CG2 THR A 53 23.688 -33.384 25.806 1.00 0.00 C ATOM 0 H THR A 53 23.040 -31.954 28.226 1.00 0.00 H new ATOM 0 HA THR A 53 21.300 -32.231 26.024 1.00 0.00 H new ATOM 0 HB THR A 53 22.016 -34.660 26.173 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.680 -33.699 28.315 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.378 -34.208 25.626 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.288 -33.031 24.855 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.217 -32.570 26.302 1.00 0.00 H new ATOM 793 N GLN A 54 20.157 -33.159 28.901 1.00 0.00 N ATOM 794 CA GLN A 54 18.993 -33.671 29.613 1.00 0.00 C ATOM 795 C GLN A 54 18.057 -32.536 30.015 1.00 0.00 C ATOM 796 O GLN A 54 17.302 -32.652 30.980 1.00 0.00 O ATOM 797 CB GLN A 54 19.430 -34.450 30.855 1.00 0.00 C ATOM 798 CG GLN A 54 20.573 -35.418 30.594 1.00 0.00 C ATOM 799 CD GLN A 54 20.885 -36.290 31.795 1.00 0.00 C ATOM 800 OE1 GLN A 54 19.995 -36.637 32.572 1.00 0.00 O ATOM 801 NE2 GLN A 54 22.154 -36.647 31.953 1.00 0.00 N ATOM 0 H GLN A 54 20.844 -32.694 29.494 1.00 0.00 H new ATOM 0 HA GLN A 54 18.455 -34.341 28.942 1.00 0.00 H new ATOM 0 HB2 GLN A 54 19.732 -33.744 31.629 1.00 0.00 H new ATOM 0 HB3 GLN A 54 18.577 -35.005 31.245 1.00 0.00 H new ATOM 0 HG2 GLN A 54 20.320 -36.053 29.745 1.00 0.00 H new ATOM 0 HG3 GLN A 54 21.464 -34.855 30.317 1.00 0.00 H new ATOM 0 HE21 GLN A 54 22.858 -36.336 31.284 1.00 0.00 H new ATOM 0 HE22 GLN A 54 22.425 -37.232 32.743 1.00 0.00 H new ATOM 810 N MET A 55 18.112 -31.438 29.267 1.00 0.00 N ATOM 811 CA MET A 55 17.268 -30.282 29.545 1.00 0.00 C ATOM 812 C MET A 55 16.011 -30.306 28.682 1.00 0.00 C ATOM 813 O MET A 55 15.950 -31.013 27.675 1.00 0.00 O ATOM 814 CB MET A 55 18.045 -28.986 29.301 1.00 0.00 C ATOM 815 CG MET A 55 18.981 -28.614 30.439 1.00 0.00 C ATOM 816 SD MET A 55 19.743 -26.996 30.211 1.00 0.00 S ATOM 817 CE MET A 55 18.779 -26.004 31.349 1.00 0.00 C ATOM 0 H MET A 55 18.732 -31.325 28.465 1.00 0.00 H new ATOM 0 HA MET A 55 16.968 -30.326 30.592 1.00 0.00 H new ATOM 0 HB2 MET A 55 18.625 -29.087 28.383 1.00 0.00 H new ATOM 0 HB3 MET A 55 17.337 -28.172 29.143 1.00 0.00 H new ATOM 0 HG2 MET A 55 18.426 -28.621 31.377 1.00 0.00 H new ATOM 0 HG3 MET A 55 19.761 -29.370 30.524 1.00 0.00 H new ATOM 0 HE1 MET A 55 19.343 -25.112 31.622 1.00 0.00 H new ATOM 0 HE2 MET A 55 17.843 -25.710 30.873 1.00 0.00 H new ATOM 0 HE3 MET A 55 18.563 -26.585 32.246 1.00 0.00 H new ATOM 827 N THR A 56 15.009 -29.528 29.081 1.00 0.00 N ATOM 828 CA THR A 56 13.753 -29.462 28.344 1.00 0.00 C ATOM 829 C THR A 56 13.270 -28.022 28.212 1.00 0.00 C ATOM 830 O THR A 56 13.850 -27.106 28.794 1.00 0.00 O ATOM 831 CB THR A 56 12.656 -30.299 29.028 1.00 0.00 C ATOM 832 OG1 THR A 56 11.506 -30.385 28.180 1.00 0.00 O ATOM 833 CG2 THR A 56 12.262 -29.688 30.364 1.00 0.00 C ATOM 0 H THR A 56 15.043 -28.935 29.910 1.00 0.00 H new ATOM 0 HA THR A 56 13.946 -29.871 27.352 1.00 0.00 H new ATOM 0 HB THR A 56 13.052 -31.299 29.207 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.814 -30.920 28.621 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.486 -30.297 30.828 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.133 -29.651 31.018 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.884 -28.678 30.205 1.00 0.00 H new ATOM 841 N SER A 57 12.203 -27.830 27.442 1.00 0.00 N ATOM 842 CA SER A 57 11.642 -26.500 27.231 1.00 0.00 C ATOM 843 C SER A 57 11.375 -25.805 28.563 1.00 0.00 C ATOM 844 O SER A 57 11.553 -24.594 28.689 1.00 0.00 O ATOM 845 CB SER A 57 10.347 -26.592 26.422 1.00 0.00 C ATOM 846 OG SER A 57 10.258 -27.832 25.742 1.00 0.00 O ATOM 0 H SER A 57 11.710 -28.578 26.954 1.00 0.00 H new ATOM 0 HA SER A 57 12.369 -25.910 26.673 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.491 -26.475 27.086 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.305 -25.775 25.702 1.00 0.00 H new ATOM 0 HG SER A 57 9.421 -27.867 25.234 1.00 0.00 H new ATOM 852 N GLU A 58 10.947 -26.582 29.553 1.00 0.00 N ATOM 853 CA GLU A 58 10.654 -26.041 30.875 1.00 0.00 C ATOM 854 C GLU A 58 11.932 -25.573 31.566 1.00 0.00 C ATOM 855 O GLU A 58 11.916 -24.618 32.344 1.00 0.00 O ATOM 856 CB GLU A 58 9.951 -27.092 31.736 1.00 0.00 C ATOM 857 CG GLU A 58 8.821 -27.810 31.018 1.00 0.00 C ATOM 858 CD GLU A 58 7.927 -28.586 31.966 1.00 0.00 C ATOM 859 OE1 GLU A 58 8.460 -29.215 32.904 1.00 0.00 O ATOM 860 OE2 GLU A 58 6.694 -28.562 31.770 1.00 0.00 O ATOM 0 H GLU A 58 10.796 -27.587 29.465 1.00 0.00 H new ATOM 0 HA GLU A 58 9.993 -25.183 30.751 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.684 -27.827 32.068 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.554 -26.611 32.630 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.221 -27.081 30.473 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.241 -28.493 30.280 1.00 0.00 H new ATOM 867 N ASP A 59 13.036 -26.252 31.277 1.00 0.00 N ATOM 868 CA ASP A 59 14.323 -25.906 31.870 1.00 0.00 C ATOM 869 C ASP A 59 14.816 -24.558 31.352 1.00 0.00 C ATOM 870 O ASP A 59 15.581 -23.865 32.023 1.00 0.00 O ATOM 871 CB ASP A 59 15.357 -26.992 31.566 1.00 0.00 C ATOM 872 CG ASP A 59 15.030 -28.308 32.243 1.00 0.00 C ATOM 873 OD1 ASP A 59 13.887 -28.461 32.723 1.00 0.00 O ATOM 874 OD2 ASP A 59 15.917 -29.186 32.292 1.00 0.00 O ATOM 0 H ASP A 59 13.066 -27.045 30.636 1.00 0.00 H new ATOM 0 HA ASP A 59 14.190 -25.833 32.949 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.413 -27.145 30.488 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.341 -26.654 31.891 1.00 0.00 H new ATOM 879 N LEU A 60 14.373 -24.193 30.154 1.00 0.00 N ATOM 880 CA LEU A 60 14.769 -22.928 29.544 1.00 0.00 C ATOM 881 C LEU A 60 14.051 -21.757 30.206 1.00 0.00 C ATOM 882 O LEU A 60 14.630 -20.686 30.395 1.00 0.00 O ATOM 883 CB LEU A 60 14.468 -22.946 28.045 1.00 0.00 C ATOM 884 CG LEU A 60 14.719 -24.271 27.325 1.00 0.00 C ATOM 885 CD1 LEU A 60 14.399 -24.143 25.844 1.00 0.00 C ATOM 886 CD2 LEU A 60 16.158 -24.722 27.524 1.00 0.00 C ATOM 0 H LEU A 60 13.739 -24.755 29.586 1.00 0.00 H new ATOM 0 HA LEU A 60 15.842 -22.802 29.690 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.423 -22.670 27.901 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.070 -22.175 27.565 1.00 0.00 H new ATOM 0 HG LEU A 60 14.060 -25.026 27.754 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.584 -25.096 25.348 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.352 -23.867 25.721 1.00 0.00 H new ATOM 0 HD13 LEU A 60 15.032 -23.374 25.400 1.00 0.00 H new ATOM 0 HD21 LEU A 60 16.318 -25.667 27.005 1.00 0.00 H new ATOM 0 HD22 LEU A 60 16.835 -23.968 27.122 1.00 0.00 H new ATOM 0 HD23 LEU A 60 16.354 -24.855 28.588 1.00 0.00 H new ATOM 898 N LEU A 61 12.787 -21.967 30.556 1.00 0.00 N ATOM 899 CA LEU A 61 11.989 -20.928 31.199 1.00 0.00 C ATOM 900 C LEU A 61 12.394 -20.756 32.660 1.00 0.00 C ATOM 901 O LEU A 61 12.108 -19.730 33.277 1.00 0.00 O ATOM 902 CB LEU A 61 10.501 -21.271 31.108 1.00 0.00 C ATOM 903 CG LEU A 61 9.742 -20.661 29.929 1.00 0.00 C ATOM 904 CD1 LEU A 61 9.250 -21.751 28.989 1.00 0.00 C ATOM 905 CD2 LEU A 61 8.578 -19.815 30.424 1.00 0.00 C ATOM 0 H LEU A 61 12.293 -22.846 30.406 1.00 0.00 H new ATOM 0 HA LEU A 61 12.172 -19.989 30.677 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.401 -22.355 31.057 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.018 -20.950 32.031 1.00 0.00 H new ATOM 0 HG LEU A 61 10.425 -20.015 29.377 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.712 -21.298 28.156 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.102 -22.314 28.608 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.583 -22.423 29.529 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.049 -19.389 29.571 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.894 -20.438 31.000 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.955 -19.011 31.056 1.00 0.00 H new ATOM 917 N ARG A 62 13.063 -21.767 33.206 1.00 0.00 N ATOM 918 CA ARG A 62 13.508 -21.727 34.594 1.00 0.00 C ATOM 919 C ARG A 62 14.725 -20.818 34.748 1.00 0.00 C ATOM 920 O ARG A 62 14.853 -20.100 35.740 1.00 0.00 O ATOM 921 CB ARG A 62 13.845 -23.136 35.084 1.00 0.00 C ATOM 922 CG ARG A 62 12.637 -24.055 35.171 1.00 0.00 C ATOM 923 CD ARG A 62 12.369 -24.489 36.603 1.00 0.00 C ATOM 924 NE ARG A 62 11.396 -23.624 37.264 1.00 0.00 N ATOM 925 CZ ARG A 62 10.899 -23.865 38.472 1.00 0.00 C ATOM 926 NH1 ARG A 62 11.282 -24.939 39.148 1.00 0.00 N ATOM 927 NH2 ARG A 62 10.018 -23.030 39.007 1.00 0.00 N ATOM 0 H ARG A 62 13.308 -22.623 32.709 1.00 0.00 H new ATOM 0 HA ARG A 62 12.696 -21.324 35.199 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.580 -23.579 34.412 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.311 -23.068 36.067 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.760 -23.543 34.775 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.802 -24.934 34.548 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.004 -25.516 36.608 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.303 -24.480 37.165 1.00 0.00 H new ATOM 0 HE ARG A 62 11.081 -22.789 36.771 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.960 -25.583 38.741 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.899 -25.121 40.075 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.721 -22.202 38.491 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.637 -23.216 39.935 1.00 0.00 H new ATOM 941 N ILE A 63 15.614 -20.856 33.762 1.00 0.00 N ATOM 942 CA ILE A 63 16.819 -20.037 33.788 1.00 0.00 C ATOM 943 C ILE A 63 16.527 -18.615 33.319 1.00 0.00 C ATOM 944 O ILE A 63 17.226 -17.673 33.688 1.00 0.00 O ATOM 945 CB ILE A 63 17.928 -20.639 32.906 1.00 0.00 C ATOM 946 CG1 ILE A 63 17.498 -20.640 31.437 1.00 0.00 C ATOM 947 CG2 ILE A 63 18.265 -22.049 33.366 1.00 0.00 C ATOM 948 CD1 ILE A 63 18.576 -21.125 30.493 1.00 0.00 C ATOM 0 H ILE A 63 15.523 -21.446 32.935 1.00 0.00 H new ATOM 0 HA ILE A 63 17.162 -20.013 34.822 1.00 0.00 H new ATOM 0 HB ILE A 63 18.822 -20.023 33.003 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.617 -21.272 31.325 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.204 -19.630 31.152 1.00 0.00 H new ATOM 0 HG21 ILE A 63 19.051 -22.460 32.732 1.00 0.00 H new ATOM 0 HG22 ILE A 63 18.610 -22.022 34.400 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.377 -22.677 33.296 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.202 -21.099 29.470 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.450 -20.479 30.576 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.854 -22.147 30.752 1.00 0.00 H new ATOM 960 N GLY A 64 15.487 -18.468 32.504 1.00 0.00 N ATOM 961 CA GLY A 64 15.120 -17.158 31.999 1.00 0.00 C ATOM 962 C GLY A 64 14.602 -17.210 30.575 1.00 0.00 C ATOM 963 O GLY A 64 13.681 -16.476 30.216 1.00 0.00 O ATOM 0 H GLY A 64 14.892 -19.233 32.185 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.356 -16.724 32.645 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.987 -16.499 32.043 1.00 0.00 H new ATOM 967 N ILE A 65 15.195 -18.078 29.763 1.00 0.00 N ATOM 968 CA ILE A 65 14.788 -18.221 28.370 1.00 0.00 C ATOM 969 C ILE A 65 13.282 -18.433 28.257 1.00 0.00 C ATOM 970 O ILE A 65 12.776 -19.526 28.512 1.00 0.00 O ATOM 971 CB ILE A 65 15.513 -19.398 27.690 1.00 0.00 C ATOM 972 CG1 ILE A 65 17.029 -19.197 27.754 1.00 0.00 C ATOM 973 CG2 ILE A 65 15.053 -19.540 26.247 1.00 0.00 C ATOM 974 CD1 ILE A 65 17.818 -20.453 27.459 1.00 0.00 C ATOM 0 H ILE A 65 15.959 -18.693 30.045 1.00 0.00 H new ATOM 0 HA ILE A 65 15.062 -17.295 27.864 1.00 0.00 H new ATOM 0 HB ILE A 65 15.264 -20.316 28.223 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.315 -18.422 27.042 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.298 -18.833 28.746 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.574 -20.376 25.780 1.00 0.00 H new ATOM 0 HG22 ILE A 65 13.979 -19.723 26.224 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.276 -18.623 25.702 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.884 -20.236 27.522 1.00 0.00 H new ATOM 0 HD12 ILE A 65 17.561 -21.223 28.186 1.00 0.00 H new ATOM 0 HD13 ILE A 65 17.578 -20.806 26.456 1.00 0.00 H new ATOM 986 N THR A 66 12.569 -17.379 27.870 1.00 0.00 N ATOM 987 CA THR A 66 11.121 -17.449 27.722 1.00 0.00 C ATOM 988 C THR A 66 10.691 -17.021 26.324 1.00 0.00 C ATOM 989 O THR A 66 9.627 -16.427 26.145 1.00 0.00 O ATOM 990 CB THR A 66 10.407 -16.563 28.760 1.00 0.00 C ATOM 991 OG1 THR A 66 10.892 -15.219 28.674 1.00 0.00 O ATOM 992 CG2 THR A 66 10.625 -17.097 30.168 1.00 0.00 C ATOM 0 H THR A 66 12.971 -16.467 27.654 1.00 0.00 H new ATOM 0 HA THR A 66 10.836 -18.488 27.885 1.00 0.00 H new ATOM 0 HB THR A 66 9.339 -16.577 28.544 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.432 -14.662 29.336 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.112 -16.455 30.884 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.228 -18.110 30.239 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.692 -17.109 30.391 1.00 0.00 H new ATOM 1000 N LEU A 67 11.523 -17.327 25.334 1.00 0.00 N ATOM 1001 CA LEU A 67 11.227 -16.974 23.950 1.00 0.00 C ATOM 1002 C LEU A 67 10.931 -18.220 23.122 1.00 0.00 C ATOM 1003 O LEU A 67 11.836 -18.983 22.785 1.00 0.00 O ATOM 1004 CB LEU A 67 12.400 -16.208 23.336 1.00 0.00 C ATOM 1005 CG LEU A 67 12.320 -14.683 23.414 1.00 0.00 C ATOM 1006 CD1 LEU A 67 13.363 -14.142 24.380 1.00 0.00 C ATOM 1007 CD2 LEU A 67 12.499 -14.068 22.034 1.00 0.00 C ATOM 0 H LEU A 67 12.407 -17.818 25.464 1.00 0.00 H new ATOM 0 HA LEU A 67 10.342 -16.337 23.945 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.317 -16.530 23.831 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.486 -16.494 22.288 1.00 0.00 H new ATOM 0 HG LEU A 67 11.333 -14.409 23.787 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.291 -13.055 24.422 1.00 0.00 H new ATOM 0 HD12 LEU A 67 13.189 -14.556 25.373 1.00 0.00 H new ATOM 0 HD13 LEU A 67 14.358 -14.426 24.038 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.439 -12.982 22.109 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.472 -14.351 21.633 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.714 -14.430 21.370 1.00 0.00 H new ATOM 1019 N ALA A 68 9.658 -18.419 22.796 1.00 0.00 N ATOM 1020 CA ALA A 68 9.243 -19.570 22.003 1.00 0.00 C ATOM 1021 C ALA A 68 10.011 -19.637 20.688 1.00 0.00 C ATOM 1022 O ALA A 68 10.303 -20.720 20.183 1.00 0.00 O ATOM 1023 CB ALA A 68 7.745 -19.517 21.740 1.00 0.00 C ATOM 0 H ALA A 68 8.896 -17.798 23.069 1.00 0.00 H new ATOM 0 HA ALA A 68 9.469 -20.472 22.571 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.449 -20.382 21.147 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.208 -19.527 22.689 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.503 -18.604 21.196 1.00 0.00 H new ATOM 1029 N GLY A 69 10.336 -18.471 20.137 1.00 0.00 N ATOM 1030 CA GLY A 69 11.067 -18.421 18.885 1.00 0.00 C ATOM 1031 C GLY A 69 12.532 -18.770 19.054 1.00 0.00 C ATOM 1032 O GLY A 69 13.209 -19.125 18.088 1.00 0.00 O ATOM 0 H GLY A 69 10.106 -17.561 20.536 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.612 -19.111 18.175 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.982 -17.422 18.458 1.00 0.00 H new ATOM 1036 N HIS A 70 13.025 -18.670 20.284 1.00 0.00 N ATOM 1037 CA HIS A 70 14.420 -18.977 20.577 1.00 0.00 C ATOM 1038 C HIS A 70 14.574 -20.426 21.028 1.00 0.00 C ATOM 1039 O HIS A 70 15.436 -21.152 20.533 1.00 0.00 O ATOM 1040 CB HIS A 70 14.957 -18.035 21.654 1.00 0.00 C ATOM 1041 CG HIS A 70 15.337 -16.683 21.133 1.00 0.00 C ATOM 1042 ND1 HIS A 70 15.745 -15.649 21.949 1.00 0.00 N ATOM 1043 CD2 HIS A 70 15.370 -16.199 19.870 1.00 0.00 C ATOM 1044 CE1 HIS A 70 16.011 -14.587 21.210 1.00 0.00 C ATOM 1045 NE2 HIS A 70 15.792 -14.894 19.945 1.00 0.00 N ATOM 0 H HIS A 70 12.479 -18.378 21.094 1.00 0.00 H new ATOM 0 HA HIS A 70 14.997 -18.836 19.663 1.00 0.00 H new ATOM 0 HB2 HIS A 70 14.202 -17.917 22.431 1.00 0.00 H new ATOM 0 HB3 HIS A 70 15.828 -18.492 22.123 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.113 -16.738 18.970 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.350 -13.630 21.578 1.00 0.00 H new ATOM 0 HE2 HIS A 70 15.916 -14.264 19.152 1.00 0.00 H new ATOM 1053 N GLN A 71 13.734 -20.839 21.972 1.00 0.00 N ATOM 1054 CA GLN A 71 13.779 -22.201 22.491 1.00 0.00 C ATOM 1055 C GLN A 71 13.724 -23.218 21.356 1.00 0.00 C ATOM 1056 O GLN A 71 14.279 -24.312 21.461 1.00 0.00 O ATOM 1057 CB GLN A 71 12.620 -22.438 23.461 1.00 0.00 C ATOM 1058 CG GLN A 71 12.593 -21.463 24.627 1.00 0.00 C ATOM 1059 CD GLN A 71 11.221 -21.351 25.262 1.00 0.00 C ATOM 1060 OE1 GLN A 71 10.224 -21.806 24.699 1.00 0.00 O ATOM 1061 NE2 GLN A 71 11.162 -20.743 26.441 1.00 0.00 N ATOM 0 H GLN A 71 13.015 -20.251 22.393 1.00 0.00 H new ATOM 0 HA GLN A 71 14.721 -22.329 23.024 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.679 -22.365 22.915 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.684 -23.454 23.850 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.313 -21.783 25.380 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.910 -20.479 24.281 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.013 -20.381 26.871 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.266 -20.638 26.916 1.00 0.00 H new ATOM 1070 N LYS A 72 13.051 -22.851 20.271 1.00 0.00 N ATOM 1071 CA LYS A 72 12.923 -23.730 19.115 1.00 0.00 C ATOM 1072 C LYS A 72 14.295 -24.142 18.590 1.00 0.00 C ATOM 1073 O LYS A 72 14.481 -25.265 18.122 1.00 0.00 O ATOM 1074 CB LYS A 72 12.128 -23.037 18.006 1.00 0.00 C ATOM 1075 CG LYS A 72 10.941 -23.845 17.513 1.00 0.00 C ATOM 1076 CD LYS A 72 9.670 -23.012 17.491 1.00 0.00 C ATOM 1077 CE LYS A 72 8.944 -23.068 18.826 1.00 0.00 C ATOM 1078 NZ LYS A 72 8.137 -24.311 18.968 1.00 0.00 N ATOM 0 H LYS A 72 12.585 -21.949 20.168 1.00 0.00 H new ATOM 0 HA LYS A 72 12.389 -24.627 19.430 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.774 -22.073 18.372 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.793 -22.834 17.166 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.147 -24.222 16.511 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.797 -24.713 18.157 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.916 -21.977 17.253 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.011 -23.373 16.702 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.670 -23.012 19.637 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.292 -22.199 18.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.658 -24.310 19.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.427 -24.352 18.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.762 -25.140 18.903 1.00 0.00 H new ATOM 1092 N LYS A 73 15.254 -23.225 18.672 1.00 0.00 N ATOM 1093 CA LYS A 73 16.610 -23.493 18.208 1.00 0.00 C ATOM 1094 C LYS A 73 17.401 -24.270 19.257 1.00 0.00 C ATOM 1095 O LYS A 73 18.181 -25.162 18.924 1.00 0.00 O ATOM 1096 CB LYS A 73 17.328 -22.181 17.882 1.00 0.00 C ATOM 1097 CG LYS A 73 18.703 -22.376 17.269 1.00 0.00 C ATOM 1098 CD LYS A 73 19.037 -21.268 16.284 1.00 0.00 C ATOM 1099 CE LYS A 73 20.100 -21.708 15.289 1.00 0.00 C ATOM 1100 NZ LYS A 73 19.638 -21.558 13.881 1.00 0.00 N ATOM 0 H LYS A 73 15.117 -22.290 19.056 1.00 0.00 H new ATOM 0 HA LYS A 73 16.545 -24.099 17.305 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.712 -21.601 17.195 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.427 -21.594 18.795 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.454 -22.401 18.059 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.743 -23.340 16.761 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.135 -20.973 15.748 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.387 -20.390 16.827 1.00 0.00 H new ATOM 0 HE2 LYS A 73 21.004 -21.118 15.439 1.00 0.00 H new ATOM 0 HE3 LYS A 73 20.364 -22.749 15.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 20.391 -21.868 13.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.790 -22.140 13.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 19.411 -20.560 13.695 1.00 0.00 H new ATOM 1114 N ILE A 74 17.192 -23.925 20.523 1.00 0.00 N ATOM 1115 CA ILE A 74 17.884 -24.593 21.619 1.00 0.00 C ATOM 1116 C ILE A 74 17.485 -26.062 21.707 1.00 0.00 C ATOM 1117 O ILE A 74 18.319 -26.954 21.542 1.00 0.00 O ATOM 1118 CB ILE A 74 17.590 -23.911 22.968 1.00 0.00 C ATOM 1119 CG1 ILE A 74 18.011 -22.440 22.924 1.00 0.00 C ATOM 1120 CG2 ILE A 74 18.305 -24.639 24.097 1.00 0.00 C ATOM 1121 CD1 ILE A 74 17.441 -21.615 24.057 1.00 0.00 C ATOM 0 H ILE A 74 16.550 -23.188 20.815 1.00 0.00 H new ATOM 0 HA ILE A 74 18.951 -24.521 21.409 1.00 0.00 H new ATOM 0 HB ILE A 74 16.517 -23.957 23.155 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.099 -22.381 22.953 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.694 -22.008 21.975 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.087 -24.145 25.044 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.961 -25.672 24.139 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.380 -24.622 23.918 1.00 0.00 H new ATOM 0 HD11 ILE A 74 17.780 -20.584 23.963 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.352 -21.644 24.016 1.00 0.00 H new ATOM 0 HD13 ILE A 74 17.779 -22.022 25.010 1.00 0.00 H new ATOM 1133 N LEU A 75 16.206 -26.307 21.967 1.00 0.00 N ATOM 1134 CA LEU A 75 15.695 -27.669 22.075 1.00 0.00 C ATOM 1135 C LEU A 75 16.067 -28.490 20.844 1.00 0.00 C ATOM 1136 O LEU A 75 16.434 -29.659 20.954 1.00 0.00 O ATOM 1137 CB LEU A 75 14.175 -27.653 22.250 1.00 0.00 C ATOM 1138 CG LEU A 75 13.643 -26.820 23.417 1.00 0.00 C ATOM 1139 CD1 LEU A 75 12.219 -26.363 23.141 1.00 0.00 C ATOM 1140 CD2 LEU A 75 13.708 -27.616 24.713 1.00 0.00 C ATOM 0 H LEU A 75 15.504 -25.581 22.107 1.00 0.00 H new ATOM 0 HA LEU A 75 16.151 -28.133 22.950 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.727 -27.280 21.329 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.833 -28.680 22.377 1.00 0.00 H new ATOM 0 HG LEU A 75 14.272 -25.936 23.524 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.857 -25.772 23.982 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.201 -25.756 22.236 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.577 -27.234 23.007 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.326 -27.008 25.533 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.103 -28.518 24.617 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.742 -27.893 24.918 1.00 0.00 H new ATOM 1152 N ASN A 76 15.972 -27.868 19.674 1.00 0.00 N ATOM 1153 CA ASN A 76 16.301 -28.541 18.422 1.00 0.00 C ATOM 1154 C ASN A 76 17.736 -29.059 18.444 1.00 0.00 C ATOM 1155 O ASN A 76 18.061 -30.043 17.780 1.00 0.00 O ATOM 1156 CB ASN A 76 16.109 -27.587 17.241 1.00 0.00 C ATOM 1157 CG ASN A 76 14.706 -27.651 16.668 1.00 0.00 C ATOM 1158 OD1 ASN A 76 13.871 -28.429 17.129 1.00 0.00 O ATOM 1159 ND2 ASN A 76 14.442 -26.830 15.658 1.00 0.00 N ATOM 0 H ASN A 76 15.670 -26.900 19.566 1.00 0.00 H new ATOM 0 HA ASN A 76 15.628 -29.391 18.307 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.321 -26.567 17.563 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.829 -27.831 16.460 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.515 -26.827 15.232 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.166 -26.202 15.309 1.00 0.00 H new ATOM 1166 N SER A 77 18.589 -28.390 19.212 1.00 0.00 N ATOM 1167 CA SER A 77 19.990 -28.781 19.318 1.00 0.00 C ATOM 1168 C SER A 77 20.190 -29.782 20.452 1.00 0.00 C ATOM 1169 O SER A 77 20.955 -30.739 20.322 1.00 0.00 O ATOM 1170 CB SER A 77 20.869 -27.550 19.548 1.00 0.00 C ATOM 1171 OG SER A 77 22.229 -27.835 19.269 1.00 0.00 O ATOM 0 H SER A 77 18.335 -27.575 19.770 1.00 0.00 H new ATOM 0 HA SER A 77 20.281 -29.256 18.381 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.528 -26.732 18.913 1.00 0.00 H new ATOM 0 HB3 SER A 77 20.769 -27.215 20.581 1.00 0.00 H new ATOM 0 HG SER A 77 22.573 -27.185 18.622 1.00 0.00 H new ATOM 1177 N ILE A 78 19.498 -29.555 21.563 1.00 0.00 N ATOM 1178 CA ILE A 78 19.598 -30.437 22.719 1.00 0.00 C ATOM 1179 C ILE A 78 19.145 -31.851 22.373 1.00 0.00 C ATOM 1180 O ILE A 78 19.810 -32.829 22.716 1.00 0.00 O ATOM 1181 CB ILE A 78 18.758 -29.915 23.899 1.00 0.00 C ATOM 1182 CG1 ILE A 78 19.211 -28.508 24.294 1.00 0.00 C ATOM 1183 CG2 ILE A 78 18.863 -30.863 25.084 1.00 0.00 C ATOM 1184 CD1 ILE A 78 18.268 -27.816 25.254 1.00 0.00 C ATOM 0 H ILE A 78 18.862 -28.767 21.687 1.00 0.00 H new ATOM 0 HA ILE A 78 20.648 -30.456 23.011 1.00 0.00 H new ATOM 0 HB ILE A 78 17.714 -29.866 23.589 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.200 -28.568 24.749 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.310 -27.901 23.394 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.264 -30.480 25.910 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.496 -31.848 24.796 1.00 0.00 H new ATOM 0 HG23 ILE A 78 19.904 -30.941 25.397 1.00 0.00 H new ATOM 0 HD11 ILE A 78 18.652 -26.824 25.490 1.00 0.00 H new ATOM 0 HD12 ILE A 78 17.284 -27.724 24.795 1.00 0.00 H new ATOM 0 HD13 ILE A 78 18.187 -28.401 26.170 1.00 0.00 H new ATOM 1196 N HIS A 79 18.010 -31.952 21.689 1.00 0.00 N ATOM 1197 CA HIS A 79 17.469 -33.247 21.293 1.00 0.00 C ATOM 1198 C HIS A 79 18.442 -33.986 20.379 1.00 0.00 C ATOM 1199 O HIS A 79 18.555 -35.211 20.437 1.00 0.00 O ATOM 1200 CB HIS A 79 16.124 -33.068 20.587 1.00 0.00 C ATOM 1201 CG HIS A 79 15.162 -34.188 20.839 1.00 0.00 C ATOM 1202 ND1 HIS A 79 13.793 -34.021 20.824 1.00 0.00 N ATOM 1203 CD2 HIS A 79 15.377 -35.496 21.110 1.00 0.00 C ATOM 1204 CE1 HIS A 79 13.208 -35.178 21.078 1.00 0.00 C ATOM 1205 NE2 HIS A 79 14.147 -36.090 21.254 1.00 0.00 N ATOM 0 H HIS A 79 17.447 -31.153 21.398 1.00 0.00 H new ATOM 0 HA HIS A 79 17.321 -33.842 22.194 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.673 -32.132 20.915 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.295 -32.981 19.514 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.337 -35.983 21.197 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.143 -35.349 21.132 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.985 -37.075 21.463 1.00 0.00 H new ATOM 1213 N SER A 80 19.141 -33.234 19.536 1.00 0.00 N ATOM 1214 CA SER A 80 20.101 -33.819 18.606 1.00 0.00 C ATOM 1215 C SER A 80 21.419 -34.128 19.309 1.00 0.00 C ATOM 1216 O SER A 80 22.161 -35.018 18.896 1.00 0.00 O ATOM 1217 CB SER A 80 20.347 -32.871 17.431 1.00 0.00 C ATOM 1218 OG SER A 80 19.348 -33.021 16.437 1.00 0.00 O ATOM 0 H SER A 80 19.061 -32.219 19.477 1.00 0.00 H new ATOM 0 HA SER A 80 19.682 -34.752 18.229 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.358 -31.841 17.787 1.00 0.00 H new ATOM 0 HB3 SER A 80 21.328 -33.070 16.998 1.00 0.00 H new ATOM 0 HG SER A 80 19.527 -32.403 15.698 1.00 0.00 H new ATOM 1224 N MET A 81 21.703 -33.385 20.374 1.00 0.00 N ATOM 1225 CA MET A 81 22.931 -33.579 21.136 1.00 0.00 C ATOM 1226 C MET A 81 22.885 -34.889 21.916 1.00 0.00 C ATOM 1227 O MET A 81 23.769 -35.735 21.781 1.00 0.00 O ATOM 1228 CB MET A 81 23.152 -32.408 22.095 1.00 0.00 C ATOM 1229 CG MET A 81 24.248 -31.455 21.647 1.00 0.00 C ATOM 1230 SD MET A 81 25.067 -30.639 23.031 1.00 0.00 S ATOM 1231 CE MET A 81 23.848 -29.400 23.463 1.00 0.00 C ATOM 0 H MET A 81 21.099 -32.643 20.729 1.00 0.00 H new ATOM 0 HA MET A 81 23.762 -33.624 20.433 1.00 0.00 H new ATOM 0 HB2 MET A 81 22.220 -31.853 22.199 1.00 0.00 H new ATOM 0 HB3 MET A 81 23.402 -32.799 23.081 1.00 0.00 H new ATOM 0 HG2 MET A 81 24.988 -32.006 21.066 1.00 0.00 H new ATOM 0 HG3 MET A 81 23.821 -30.700 20.987 1.00 0.00 H new ATOM 0 HE1 MET A 81 24.298 -28.409 23.399 1.00 0.00 H new ATOM 0 HE2 MET A 81 23.006 -29.462 22.773 1.00 0.00 H new ATOM 0 HE3 MET A 81 23.497 -29.574 24.480 1.00 0.00 H new ATOM 1241 N ARG A 82 21.848 -35.050 22.733 1.00 0.00 N ATOM 1242 CA ARG A 82 21.688 -36.256 23.536 1.00 0.00 C ATOM 1243 C ARG A 82 21.787 -37.506 22.665 1.00 0.00 C ATOM 1244 O ARG A 82 22.364 -38.515 23.071 1.00 0.00 O ATOM 1245 CB ARG A 82 20.344 -36.235 24.265 1.00 0.00 C ATOM 1246 CG ARG A 82 19.147 -36.139 23.333 1.00 0.00 C ATOM 1247 CD ARG A 82 17.855 -35.929 24.107 1.00 0.00 C ATOM 1248 NE ARG A 82 16.875 -36.975 23.829 1.00 0.00 N ATOM 1249 CZ ARG A 82 16.892 -38.171 24.409 1.00 0.00 C ATOM 1250 NH1 ARG A 82 17.834 -38.469 25.293 1.00 0.00 N ATOM 1251 NH2 ARG A 82 15.966 -39.071 24.104 1.00 0.00 N ATOM 0 H ARG A 82 21.107 -34.360 22.856 1.00 0.00 H new ATOM 0 HA ARG A 82 22.492 -36.281 24.272 1.00 0.00 H new ATOM 0 HB2 ARG A 82 20.253 -37.139 24.868 1.00 0.00 H new ATOM 0 HB3 ARG A 82 20.327 -35.390 24.953 1.00 0.00 H new ATOM 0 HG2 ARG A 82 19.293 -35.314 22.635 1.00 0.00 H new ATOM 0 HG3 ARG A 82 19.073 -37.050 22.739 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.071 -35.909 25.175 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.432 -34.958 23.850 1.00 0.00 H new ATOM 0 HE ARG A 82 16.137 -36.777 23.153 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.548 -37.780 25.529 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.845 -39.387 25.737 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.240 -38.845 23.424 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.980 -39.988 24.550 1.00 0.00 H new