USER MOD reduce.3.24.130724 H: found=0, std=0, add=338, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 339 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 29 ASN : amide:sc= 0.191 K(o=0.44,f=-2.1!) USER MOD Set 1.2: A 31 GLN : amide:sc= 0.251 K(o=0.44,f=-2.1) USER MOD Set 2.1: A 30 SER OG : rot 150:sc= -0.005 USER MOD Set 2.2: A 44 HIS : no HD1:sc= 0 K(o=-0.005,f=0.79) USER MOD Single : A 39 LYS NZ :NH3+ -116:sc= 0.775 (180deg=-0.0878) USER MOD Single : A 45 ASN : amide:sc= -0.589 K(o=-0.59,f=-0.081) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -151:sc= -0.626 (180deg=-2.07!) USER MOD Single : A 54 THR OG1 : rot 155:sc= -2.13! USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0203 USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00911) USER MOD ----------------------------------------------------------------- ATOM 355 N ALA A 23 49.971 -16.586 25.372 1.00 0.00 N ATOM 356 CA ALA A 23 49.397 -17.563 26.327 1.00 0.00 C ATOM 357 C ALA A 23 50.277 -17.593 27.579 1.00 0.00 C ATOM 358 O ALA A 23 49.807 -17.357 28.694 1.00 0.00 O ATOM 359 CB ALA A 23 49.279 -18.990 25.745 1.00 0.00 C ATOM 0 HA ALA A 23 48.383 -17.238 26.559 1.00 0.00 H new ATOM 0 HB1 ALA A 23 48.852 -19.655 26.496 1.00 0.00 H new ATOM 0 HB2 ALA A 23 48.634 -18.972 24.866 1.00 0.00 H new ATOM 0 HB3 ALA A 23 50.268 -19.350 25.462 1.00 0.00 H new ATOM 365 N ALA A 24 51.573 -17.876 27.358 1.00 0.00 N ATOM 366 CA ALA A 24 52.574 -17.984 28.427 1.00 0.00 C ATOM 367 C ALA A 24 53.985 -17.782 27.852 1.00 0.00 C ATOM 368 O ALA A 24 54.348 -18.427 26.859 1.00 0.00 O ATOM 369 CB ALA A 24 52.471 -19.351 29.125 1.00 0.00 C ATOM 0 H ALA A 24 51.955 -18.037 26.426 1.00 0.00 H new ATOM 0 HA ALA A 24 52.381 -17.206 29.165 1.00 0.00 H new ATOM 0 HB1 ALA A 24 53.220 -19.414 29.914 1.00 0.00 H new ATOM 0 HB2 ALA A 24 51.477 -19.464 29.558 1.00 0.00 H new ATOM 0 HB3 ALA A 24 52.643 -20.145 28.398 1.00 0.00 H new ATOM 375 N GLU A 25 54.757 -16.878 28.477 1.00 0.00 N ATOM 376 CA GLU A 25 56.149 -16.592 28.099 1.00 0.00 C ATOM 377 C GLU A 25 57.102 -17.580 28.810 1.00 0.00 C ATOM 378 O GLU A 25 57.703 -17.270 29.845 1.00 0.00 O ATOM 379 CB GLU A 25 56.490 -15.108 28.418 1.00 0.00 C ATOM 380 CG GLU A 25 55.652 -14.079 27.627 1.00 0.00 C ATOM 381 CD GLU A 25 55.961 -12.616 28.005 1.00 0.00 C ATOM 382 OE1 GLU A 25 56.964 -12.063 27.511 1.00 0.00 O ATOM 383 OE2 GLU A 25 55.199 -12.015 28.799 1.00 0.00 O ATOM 0 H GLU A 25 54.429 -16.321 29.266 1.00 0.00 H new ATOM 0 HA GLU A 25 56.278 -16.732 27.026 1.00 0.00 H new ATOM 0 HB2 GLU A 25 56.344 -14.935 29.484 1.00 0.00 H new ATOM 0 HB3 GLU A 25 57.546 -14.937 28.209 1.00 0.00 H new ATOM 0 HG2 GLU A 25 55.833 -14.217 26.561 1.00 0.00 H new ATOM 0 HG3 GLU A 25 54.594 -14.275 27.799 1.00 0.00 H new ATOM 390 N ARG A 26 57.179 -18.795 28.243 1.00 0.00 N ATOM 391 CA ARG A 26 58.002 -19.895 28.766 1.00 0.00 C ATOM 392 C ARG A 26 58.607 -20.668 27.587 1.00 0.00 C ATOM 393 O ARG A 26 57.948 -21.530 27.000 1.00 0.00 O ATOM 394 CB ARG A 26 57.138 -20.823 29.682 1.00 0.00 C ATOM 395 CG ARG A 26 57.809 -22.139 30.175 1.00 0.00 C ATOM 396 CD ARG A 26 59.106 -21.939 30.997 1.00 0.00 C ATOM 397 NE ARG A 26 60.298 -21.707 30.143 1.00 0.00 N ATOM 398 CZ ARG A 26 61.326 -20.885 30.438 1.00 0.00 C ATOM 399 NH1 ARG A 26 61.295 -20.101 31.506 1.00 0.00 N ATOM 400 NH2 ARG A 26 62.377 -20.834 29.639 1.00 0.00 N ATOM 0 H ARG A 26 56.664 -19.043 27.398 1.00 0.00 H new ATOM 0 HA ARG A 26 58.815 -19.500 29.376 1.00 0.00 H new ATOM 0 HB2 ARG A 26 56.832 -20.249 30.556 1.00 0.00 H new ATOM 0 HB3 ARG A 26 56.230 -21.086 29.140 1.00 0.00 H new ATOM 0 HG2 ARG A 26 57.092 -22.690 30.783 1.00 0.00 H new ATOM 0 HG3 ARG A 26 58.037 -22.761 29.309 1.00 0.00 H new ATOM 0 HD2 ARG A 26 58.977 -21.092 31.671 1.00 0.00 H new ATOM 0 HD3 ARG A 26 59.276 -22.818 31.619 1.00 0.00 H new ATOM 0 HE ARG A 26 60.343 -22.212 29.258 1.00 0.00 H new ATOM 0 HH11 ARG A 26 60.483 -20.112 32.123 1.00 0.00 H new ATOM 0 HH12 ARG A 26 62.083 -19.487 31.711 1.00 0.00 H new ATOM 0 HH21 ARG A 26 62.410 -21.415 28.801 1.00 0.00 H new ATOM 0 HH22 ARG A 26 63.156 -20.213 29.860 1.00 0.00 H new ATOM 414 N ARG A 27 59.859 -20.327 27.225 1.00 0.00 N ATOM 415 CA ARG A 27 60.547 -20.957 26.088 1.00 0.00 C ATOM 416 C ARG A 27 61.226 -22.257 26.542 1.00 0.00 C ATOM 417 O ARG A 27 62.311 -22.240 27.135 1.00 0.00 O ATOM 418 CB ARG A 27 61.579 -20.002 25.447 1.00 0.00 C ATOM 419 CG ARG A 27 61.054 -18.587 25.095 1.00 0.00 C ATOM 420 CD ARG A 27 62.019 -17.810 24.178 1.00 0.00 C ATOM 421 NE ARG A 27 63.427 -17.906 24.637 1.00 0.00 N ATOM 422 CZ ARG A 27 64.399 -18.618 24.023 1.00 0.00 C ATOM 423 NH1 ARG A 27 64.146 -19.272 22.893 1.00 0.00 N ATOM 424 NH2 ARG A 27 65.612 -18.672 24.554 1.00 0.00 N ATOM 0 H ARG A 27 60.412 -19.618 27.706 1.00 0.00 H new ATOM 0 HA ARG A 27 59.801 -21.189 25.328 1.00 0.00 H new ATOM 0 HB2 ARG A 27 62.423 -19.898 26.129 1.00 0.00 H new ATOM 0 HB3 ARG A 27 61.960 -20.465 24.537 1.00 0.00 H new ATOM 0 HG2 ARG A 27 60.084 -18.674 24.605 1.00 0.00 H new ATOM 0 HG3 ARG A 27 60.897 -18.022 26.014 1.00 0.00 H new ATOM 0 HD2 ARG A 27 61.943 -18.197 23.162 1.00 0.00 H new ATOM 0 HD3 ARG A 27 61.720 -16.762 24.143 1.00 0.00 H new ATOM 0 HE ARG A 27 63.682 -17.395 25.482 1.00 0.00 H new ATOM 0 HH11 ARG A 27 63.213 -19.239 22.483 1.00 0.00 H new ATOM 0 HH12 ARG A 27 64.885 -19.807 22.437 1.00 0.00 H new ATOM 0 HH21 ARG A 27 65.811 -18.177 25.424 1.00 0.00 H new ATOM 0 HH22 ARG A 27 66.347 -19.208 24.093 1.00 0.00 H new ATOM 438 N VAL A 28 60.537 -23.372 26.314 1.00 0.00 N ATOM 439 CA VAL A 28 61.070 -24.735 26.506 1.00 0.00 C ATOM 440 C VAL A 28 61.191 -25.419 25.137 1.00 0.00 C ATOM 441 O VAL A 28 60.675 -24.912 24.143 1.00 0.00 O ATOM 442 CB VAL A 28 60.146 -25.584 27.458 1.00 0.00 C ATOM 443 CG1 VAL A 28 60.232 -25.073 28.917 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.688 -25.571 26.953 1.00 0.00 C ATOM 0 H VAL A 28 59.572 -23.363 25.984 1.00 0.00 H new ATOM 0 HA VAL A 28 62.051 -24.666 26.977 1.00 0.00 H new ATOM 0 HB VAL A 28 60.501 -26.614 27.446 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.584 -25.677 29.553 1.00 0.00 H new ATOM 0 HG12 VAL A 28 61.261 -25.150 29.269 1.00 0.00 H new ATOM 0 HG13 VAL A 28 59.912 -24.032 28.957 1.00 0.00 H new ATOM 0 HG21 VAL A 28 58.065 -26.163 27.624 1.00 0.00 H new ATOM 0 HG22 VAL A 28 58.321 -24.545 26.928 1.00 0.00 H new ATOM 0 HG23 VAL A 28 58.647 -25.996 25.950 1.00 0.00 H new ATOM 454 N ASN A 29 61.877 -26.571 25.105 1.00 0.00 N ATOM 455 CA ASN A 29 62.045 -27.388 23.883 1.00 0.00 C ATOM 456 C ASN A 29 60.688 -27.795 23.277 1.00 0.00 C ATOM 457 O ASN A 29 59.661 -27.797 23.964 1.00 0.00 O ATOM 458 CB ASN A 29 62.859 -28.681 24.186 1.00 0.00 C ATOM 459 CG ASN A 29 64.292 -28.442 24.655 1.00 0.00 C ATOM 460 OD1 ASN A 29 64.597 -27.426 25.277 1.00 0.00 O ATOM 461 ND2 ASN A 29 65.170 -29.397 24.392 1.00 0.00 N ATOM 0 H ASN A 29 62.334 -26.968 25.926 1.00 0.00 H new ATOM 0 HA ASN A 29 62.584 -26.769 23.166 1.00 0.00 H new ATOM 0 HB2 ASN A 29 62.333 -29.254 24.950 1.00 0.00 H new ATOM 0 HB3 ASN A 29 62.884 -29.296 23.287 1.00 0.00 H new ATOM 0 HD21 ASN A 29 66.135 -29.303 24.708 1.00 0.00 H new ATOM 0 HD22 ASN A 29 64.881 -30.226 23.873 1.00 0.00 H new ATOM 468 N SER A 30 60.713 -28.151 21.982 1.00 0.00 N ATOM 469 CA SER A 30 59.580 -28.794 21.281 1.00 0.00 C ATOM 470 C SER A 30 59.148 -30.105 21.982 1.00 0.00 C ATOM 471 O SER A 30 57.994 -30.514 21.900 1.00 0.00 O ATOM 472 CB SER A 30 59.993 -29.066 19.818 1.00 0.00 C ATOM 473 OG SER A 30 61.195 -29.825 19.758 1.00 0.00 O ATOM 0 H SER A 30 61.525 -28.001 21.384 1.00 0.00 H new ATOM 0 HA SER A 30 58.721 -28.124 21.305 1.00 0.00 H new ATOM 0 HB2 SER A 30 59.195 -29.602 19.305 1.00 0.00 H new ATOM 0 HB3 SER A 30 60.130 -28.120 19.294 1.00 0.00 H new ATOM 0 HG SER A 30 61.193 -30.378 18.949 1.00 0.00 H new ATOM 479 N GLN A 31 60.102 -30.748 22.671 1.00 0.00 N ATOM 480 CA GLN A 31 59.855 -31.951 23.493 1.00 0.00 C ATOM 481 C GLN A 31 58.812 -31.658 24.602 1.00 0.00 C ATOM 482 O GLN A 31 57.967 -32.499 24.918 1.00 0.00 O ATOM 483 CB GLN A 31 61.191 -32.434 24.108 1.00 0.00 C ATOM 484 CG GLN A 31 62.303 -32.710 23.078 1.00 0.00 C ATOM 485 CD GLN A 31 63.625 -33.137 23.722 1.00 0.00 C ATOM 486 OE1 GLN A 31 64.475 -32.300 24.028 1.00 0.00 O ATOM 487 NE2 GLN A 31 63.808 -34.435 23.937 1.00 0.00 N ATOM 0 H GLN A 31 61.077 -30.448 22.676 1.00 0.00 H new ATOM 0 HA GLN A 31 59.448 -32.739 22.859 1.00 0.00 H new ATOM 0 HB2 GLN A 31 61.545 -31.682 24.814 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.006 -33.345 24.678 1.00 0.00 H new ATOM 0 HG2 GLN A 31 61.970 -33.490 22.393 1.00 0.00 H new ATOM 0 HG3 GLN A 31 62.469 -31.813 22.482 1.00 0.00 H new ATOM 0 HE21 GLN A 31 63.084 -35.103 23.672 1.00 0.00 H new ATOM 0 HE22 GLN A 31 64.672 -34.764 24.367 1.00 0.00 H new ATOM 496 N ALA A 32 58.886 -30.434 25.165 1.00 0.00 N ATOM 497 CA ALA A 32 57.912 -29.927 26.155 1.00 0.00 C ATOM 498 C ALA A 32 56.981 -28.872 25.520 1.00 0.00 C ATOM 499 O ALA A 32 56.571 -27.920 26.190 1.00 0.00 O ATOM 500 CB ALA A 32 58.667 -29.354 27.368 1.00 0.00 C ATOM 0 H ALA A 32 59.626 -29.767 24.945 1.00 0.00 H new ATOM 0 HA ALA A 32 57.282 -30.750 26.493 1.00 0.00 H new ATOM 0 HB1 ALA A 32 57.950 -28.980 28.099 1.00 0.00 H new ATOM 0 HB2 ALA A 32 59.273 -30.138 27.823 1.00 0.00 H new ATOM 0 HB3 ALA A 32 59.313 -28.538 27.043 1.00 0.00 H new ATOM 506 N LEU A 33 56.613 -29.100 24.234 1.00 0.00 N ATOM 507 CA LEU A 33 55.751 -28.189 23.416 1.00 0.00 C ATOM 508 C LEU A 33 54.440 -27.735 24.103 1.00 0.00 C ATOM 509 O LEU A 33 53.843 -26.738 23.685 1.00 0.00 O ATOM 510 CB LEU A 33 55.393 -28.838 22.038 1.00 0.00 C ATOM 511 CG LEU A 33 54.413 -30.073 22.028 1.00 0.00 C ATOM 512 CD1 LEU A 33 54.012 -30.440 20.586 1.00 0.00 C ATOM 513 CD2 LEU A 33 55.005 -31.303 22.756 1.00 0.00 C ATOM 0 H LEU A 33 56.907 -29.932 23.723 1.00 0.00 H new ATOM 0 HA LEU A 33 56.362 -27.296 23.282 1.00 0.00 H new ATOM 0 HB2 LEU A 33 54.958 -28.062 21.408 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.324 -29.148 21.564 1.00 0.00 H new ATOM 0 HG LEU A 33 53.521 -29.773 22.578 1.00 0.00 H new ATOM 0 HD11 LEU A 33 53.336 -31.295 20.603 1.00 0.00 H new ATOM 0 HD12 LEU A 33 53.512 -29.591 20.120 1.00 0.00 H new ATOM 0 HD13 LEU A 33 54.904 -30.695 20.014 1.00 0.00 H new ATOM 0 HD21 LEU A 33 54.291 -32.126 22.720 1.00 0.00 H new ATOM 0 HD22 LEU A 33 55.931 -31.605 22.266 1.00 0.00 H new ATOM 0 HD23 LEU A 33 55.211 -31.046 23.795 1.00 0.00 H new ATOM 525 N LEU A 34 53.981 -28.475 25.128 1.00 0.00 N ATOM 526 CA LEU A 34 52.771 -28.121 25.903 1.00 0.00 C ATOM 527 C LEU A 34 53.095 -28.069 27.401 1.00 0.00 C ATOM 528 O LEU A 34 52.669 -27.147 28.118 1.00 0.00 O ATOM 529 CB LEU A 34 51.642 -29.149 25.604 1.00 0.00 C ATOM 530 CG LEU A 34 51.145 -29.184 24.119 1.00 0.00 C ATOM 531 CD1 LEU A 34 50.157 -30.338 23.871 1.00 0.00 C ATOM 532 CD2 LEU A 34 50.528 -27.827 23.716 1.00 0.00 C ATOM 0 H LEU A 34 54.434 -29.333 25.444 1.00 0.00 H new ATOM 0 HA LEU A 34 52.424 -27.132 25.605 1.00 0.00 H new ATOM 0 HB2 LEU A 34 51.998 -30.143 25.874 1.00 0.00 H new ATOM 0 HB3 LEU A 34 50.792 -28.928 26.249 1.00 0.00 H new ATOM 0 HG LEU A 34 52.015 -29.366 23.487 1.00 0.00 H new ATOM 0 HD11 LEU A 34 49.837 -30.326 22.829 1.00 0.00 H new ATOM 0 HD12 LEU A 34 50.645 -31.288 24.090 1.00 0.00 H new ATOM 0 HD13 LEU A 34 49.288 -30.219 24.518 1.00 0.00 H new ATOM 0 HD21 LEU A 34 50.190 -27.874 22.681 1.00 0.00 H new ATOM 0 HD22 LEU A 34 49.681 -27.605 24.365 1.00 0.00 H new ATOM 0 HD23 LEU A 34 51.278 -27.042 23.817 1.00 0.00 H new ATOM 544 N GLY A 35 53.875 -29.064 27.847 1.00 0.00 N ATOM 545 CA GLY A 35 54.230 -29.223 29.253 1.00 0.00 C ATOM 546 C GLY A 35 53.020 -29.526 30.146 1.00 0.00 C ATOM 547 O GLY A 35 51.990 -30.003 29.646 1.00 0.00 O ATOM 0 H GLY A 35 54.275 -29.778 27.238 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.957 -30.029 29.350 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.715 -28.313 29.605 1.00 0.00 H new ATOM 551 N PRO A 36 53.108 -29.273 31.487 1.00 0.00 N ATOM 552 CA PRO A 36 51.946 -29.404 32.406 1.00 0.00 C ATOM 553 C PRO A 36 50.995 -28.181 32.326 1.00 0.00 C ATOM 554 O PRO A 36 49.932 -28.163 32.956 1.00 0.00 O ATOM 555 CB PRO A 36 52.628 -29.518 33.788 1.00 0.00 C ATOM 556 CG PRO A 36 53.865 -28.665 33.656 1.00 0.00 C ATOM 557 CD PRO A 36 54.346 -28.854 32.220 1.00 0.00 C ATOM 0 HA PRO A 36 51.303 -30.251 32.169 1.00 0.00 H new ATOM 0 HB2 PRO A 36 51.978 -29.157 34.585 1.00 0.00 H new ATOM 0 HB3 PRO A 36 52.879 -30.552 34.025 1.00 0.00 H new ATOM 0 HG2 PRO A 36 53.642 -27.618 33.859 1.00 0.00 H new ATOM 0 HG3 PRO A 36 54.630 -28.972 34.369 1.00 0.00 H new ATOM 0 HD2 PRO A 36 54.761 -27.933 31.812 1.00 0.00 H new ATOM 0 HD3 PRO A 36 55.127 -29.612 32.155 1.00 0.00 H new ATOM 565 N ASP A 37 51.403 -27.167 31.543 1.00 0.00 N ATOM 566 CA ASP A 37 50.663 -25.907 31.353 1.00 0.00 C ATOM 567 C ASP A 37 49.639 -26.041 30.224 1.00 0.00 C ATOM 568 O ASP A 37 48.578 -25.403 30.255 1.00 0.00 O ATOM 569 CB ASP A 37 51.653 -24.761 31.007 1.00 0.00 C ATOM 570 CG ASP A 37 52.730 -24.547 32.084 1.00 0.00 C ATOM 571 OD1 ASP A 37 53.670 -25.366 32.166 1.00 0.00 O ATOM 572 OD2 ASP A 37 52.638 -23.573 32.860 1.00 0.00 O ATOM 0 H ASP A 37 52.274 -27.201 31.014 1.00 0.00 H new ATOM 0 HA ASP A 37 50.138 -25.678 32.281 1.00 0.00 H new ATOM 0 HB2 ASP A 37 52.138 -24.983 30.056 1.00 0.00 H new ATOM 0 HB3 ASP A 37 51.094 -23.835 30.872 1.00 0.00 H new ATOM 577 N GLY A 38 49.998 -26.848 29.209 1.00 0.00 N ATOM 578 CA GLY A 38 49.197 -26.974 27.986 1.00 0.00 C ATOM 579 C GLY A 38 49.402 -25.803 27.018 1.00 0.00 C ATOM 580 O GLY A 38 48.874 -25.812 25.906 1.00 0.00 O ATOM 0 H GLY A 38 50.841 -27.423 29.216 1.00 0.00 H new ATOM 0 HA2 GLY A 38 49.456 -27.905 27.482 1.00 0.00 H new ATOM 0 HA3 GLY A 38 48.142 -27.038 28.253 1.00 0.00 H new ATOM 584 N LYS A 39 50.192 -24.797 27.438 1.00 0.00 N ATOM 585 CA LYS A 39 50.419 -23.566 26.672 1.00 0.00 C ATOM 586 C LYS A 39 51.787 -22.957 27.030 1.00 0.00 C ATOM 587 O LYS A 39 51.975 -22.412 28.122 1.00 0.00 O ATOM 588 CB LYS A 39 49.216 -22.561 26.835 1.00 0.00 C ATOM 589 CG LYS A 39 48.513 -22.479 28.229 1.00 0.00 C ATOM 590 CD LYS A 39 49.278 -21.655 29.289 1.00 0.00 C ATOM 591 CE LYS A 39 48.484 -21.473 30.592 1.00 0.00 C ATOM 592 NZ LYS A 39 48.134 -22.768 31.243 1.00 0.00 N ATOM 0 H LYS A 39 50.693 -24.820 28.326 1.00 0.00 H new ATOM 0 HA LYS A 39 50.456 -23.807 25.610 1.00 0.00 H new ATOM 0 HB2 LYS A 39 49.577 -21.564 26.584 1.00 0.00 H new ATOM 0 HB3 LYS A 39 48.460 -22.822 26.094 1.00 0.00 H new ATOM 0 HG2 LYS A 39 47.522 -22.045 28.096 1.00 0.00 H new ATOM 0 HG3 LYS A 39 48.369 -23.491 28.609 1.00 0.00 H new ATOM 0 HD2 LYS A 39 50.224 -22.148 29.512 1.00 0.00 H new ATOM 0 HD3 LYS A 39 49.519 -20.675 28.876 1.00 0.00 H new ATOM 0 HE2 LYS A 39 49.068 -20.869 31.286 1.00 0.00 H new ATOM 0 HE3 LYS A 39 47.569 -20.920 30.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 47.100 -22.882 31.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 48.563 -23.551 30.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 48.494 -22.775 32.219 1.00 0.00 H new ATOM 606 N VAL A 40 52.762 -23.111 26.111 1.00 0.00 N ATOM 607 CA VAL A 40 54.150 -22.619 26.294 1.00 0.00 C ATOM 608 C VAL A 40 54.755 -22.227 24.933 1.00 0.00 C ATOM 609 O VAL A 40 54.163 -22.492 23.876 1.00 0.00 O ATOM 610 CB VAL A 40 55.110 -23.687 26.978 1.00 0.00 C ATOM 611 CG1 VAL A 40 54.710 -24.030 28.436 1.00 0.00 C ATOM 612 CG2 VAL A 40 55.201 -24.964 26.127 1.00 0.00 C ATOM 0 H VAL A 40 52.612 -23.581 25.218 1.00 0.00 H new ATOM 0 HA VAL A 40 54.080 -21.758 26.958 1.00 0.00 H new ATOM 0 HB VAL A 40 56.094 -23.220 27.031 1.00 0.00 H new ATOM 0 HG11 VAL A 40 55.407 -24.764 28.841 1.00 0.00 H new ATOM 0 HG12 VAL A 40 54.741 -23.126 29.044 1.00 0.00 H new ATOM 0 HG13 VAL A 40 53.701 -24.442 28.449 1.00 0.00 H new ATOM 0 HG21 VAL A 40 55.863 -25.680 26.615 1.00 0.00 H new ATOM 0 HG22 VAL A 40 54.208 -25.402 26.020 1.00 0.00 H new ATOM 0 HG23 VAL A 40 55.596 -24.717 25.142 1.00 0.00 H new ATOM 622 N ILE A 41 55.941 -21.602 24.975 1.00 0.00 N ATOM 623 CA ILE A 41 56.725 -21.278 23.773 1.00 0.00 C ATOM 624 C ILE A 41 57.672 -22.457 23.430 1.00 0.00 C ATOM 625 O ILE A 41 58.506 -22.853 24.244 1.00 0.00 O ATOM 626 CB ILE A 41 57.548 -19.948 23.945 1.00 0.00 C ATOM 627 CG1 ILE A 41 56.601 -18.762 24.308 1.00 0.00 C ATOM 628 CG2 ILE A 41 58.391 -19.628 22.675 1.00 0.00 C ATOM 629 CD1 ILE A 41 57.301 -17.434 24.553 1.00 0.00 C ATOM 0 H ILE A 41 56.385 -21.306 25.845 1.00 0.00 H new ATOM 0 HA ILE A 41 56.025 -21.120 22.952 1.00 0.00 H new ATOM 0 HB ILE A 41 58.248 -20.091 24.768 1.00 0.00 H new ATOM 0 HG12 ILE A 41 55.880 -18.632 23.501 1.00 0.00 H new ATOM 0 HG13 ILE A 41 56.036 -19.028 25.201 1.00 0.00 H new ATOM 0 HG21 ILE A 41 58.946 -18.703 22.830 1.00 0.00 H new ATOM 0 HG22 ILE A 41 59.090 -20.443 22.487 1.00 0.00 H new ATOM 0 HG23 ILE A 41 57.728 -19.514 21.817 1.00 0.00 H new ATOM 0 HD11 ILE A 41 56.561 -16.672 24.798 1.00 0.00 H new ATOM 0 HD12 ILE A 41 58.001 -17.539 25.381 1.00 0.00 H new ATOM 0 HD13 ILE A 41 57.843 -17.137 23.655 1.00 0.00 H new ATOM 641 N ILE A 42 57.476 -23.018 22.231 1.00 0.00 N ATOM 642 CA ILE A 42 58.330 -24.043 21.620 1.00 0.00 C ATOM 643 C ILE A 42 59.671 -23.419 21.237 1.00 0.00 C ATOM 644 O ILE A 42 59.707 -22.300 20.722 1.00 0.00 O ATOM 645 CB ILE A 42 57.646 -24.663 20.316 1.00 0.00 C ATOM 646 CG1 ILE A 42 56.419 -25.565 20.661 1.00 0.00 C ATOM 647 CG2 ILE A 42 58.650 -25.472 19.444 1.00 0.00 C ATOM 648 CD1 ILE A 42 55.317 -24.897 21.437 1.00 0.00 C ATOM 0 H ILE A 42 56.688 -22.760 21.637 1.00 0.00 H new ATOM 0 HA ILE A 42 58.477 -24.844 22.345 1.00 0.00 H new ATOM 0 HB ILE A 42 57.299 -23.806 19.740 1.00 0.00 H new ATOM 0 HG12 ILE A 42 56.002 -25.950 19.731 1.00 0.00 H new ATOM 0 HG13 ILE A 42 56.772 -26.424 21.232 1.00 0.00 H new ATOM 0 HG21 ILE A 42 58.134 -25.871 18.571 1.00 0.00 H new ATOM 0 HG22 ILE A 42 59.459 -24.818 19.119 1.00 0.00 H new ATOM 0 HG23 ILE A 42 59.061 -26.294 20.030 1.00 0.00 H new ATOM 0 HD11 ILE A 42 54.516 -25.613 21.622 1.00 0.00 H new ATOM 0 HD12 ILE A 42 55.709 -24.537 22.388 1.00 0.00 H new ATOM 0 HD13 ILE A 42 54.926 -24.056 20.864 1.00 0.00 H new ATOM 660 N ASP A 43 60.750 -24.154 21.508 1.00 0.00 N ATOM 661 CA ASP A 43 62.103 -23.832 21.053 1.00 0.00 C ATOM 662 C ASP A 43 62.647 -25.063 20.319 1.00 0.00 C ATOM 663 O ASP A 43 62.677 -26.160 20.899 1.00 0.00 O ATOM 664 CB ASP A 43 63.000 -23.472 22.265 1.00 0.00 C ATOM 665 CG ASP A 43 64.362 -22.898 21.853 1.00 0.00 C ATOM 666 OD1 ASP A 43 64.408 -21.740 21.390 1.00 0.00 O ATOM 667 OD2 ASP A 43 65.389 -23.595 22.001 1.00 0.00 O ATOM 0 H ASP A 43 60.707 -25.009 22.062 1.00 0.00 H new ATOM 0 HA ASP A 43 62.093 -22.971 20.385 1.00 0.00 H new ATOM 0 HB2 ASP A 43 62.481 -22.747 22.892 1.00 0.00 H new ATOM 0 HB3 ASP A 43 63.156 -24.364 22.872 1.00 0.00 H new ATOM 672 N HIS A 44 63.039 -24.894 19.042 1.00 0.00 N ATOM 673 CA HIS A 44 63.530 -26.006 18.202 1.00 0.00 C ATOM 674 C HIS A 44 64.393 -25.483 17.039 1.00 0.00 C ATOM 675 O HIS A 44 63.873 -24.838 16.120 1.00 0.00 O ATOM 676 CB HIS A 44 62.339 -26.841 17.659 1.00 0.00 C ATOM 677 CG HIS A 44 62.750 -28.056 16.861 1.00 0.00 C ATOM 678 ND1 HIS A 44 62.913 -28.029 15.494 1.00 0.00 N ATOM 679 CD2 HIS A 44 63.051 -29.319 17.242 1.00 0.00 C ATOM 680 CE1 HIS A 44 63.286 -29.221 15.072 1.00 0.00 C ATOM 681 NE2 HIS A 44 63.382 -30.020 16.110 1.00 0.00 N ATOM 0 H HIS A 44 63.025 -23.992 18.566 1.00 0.00 H new ATOM 0 HA HIS A 44 64.154 -26.648 18.823 1.00 0.00 H new ATOM 0 HB2 HIS A 44 61.722 -27.163 18.498 1.00 0.00 H new ATOM 0 HB3 HIS A 44 61.717 -26.202 17.033 1.00 0.00 H new ATOM 0 HD2 HIS A 44 63.034 -29.704 18.251 1.00 0.00 H new ATOM 0 HE1 HIS A 44 63.480 -29.494 14.045 1.00 0.00 H new ATOM 0 HE2 HIS A 44 63.658 -31.002 16.080 1.00 0.00 H new ATOM 690 N ASN A 45 65.713 -25.769 17.116 1.00 0.00 N ATOM 691 CA ASN A 45 66.707 -25.494 16.050 1.00 0.00 C ATOM 692 C ASN A 45 66.774 -23.972 15.705 1.00 0.00 C ATOM 693 O ASN A 45 67.056 -23.566 14.565 1.00 0.00 O ATOM 694 CB ASN A 45 66.416 -26.382 14.787 1.00 0.00 C ATOM 695 CG ASN A 45 67.553 -26.423 13.754 1.00 0.00 C ATOM 696 OD1 ASN A 45 67.316 -26.438 12.548 1.00 0.00 O ATOM 697 ND2 ASN A 45 68.801 -26.480 14.215 1.00 0.00 N ATOM 0 H ASN A 45 66.127 -26.207 17.939 1.00 0.00 H new ATOM 0 HA ASN A 45 67.695 -25.766 16.422 1.00 0.00 H new ATOM 0 HB2 ASN A 45 66.206 -27.400 15.116 1.00 0.00 H new ATOM 0 HB3 ASN A 45 65.514 -26.012 14.300 1.00 0.00 H new ATOM 0 HD21 ASN A 45 69.583 -26.537 13.563 1.00 0.00 H new ATOM 0 HD22 ASN A 45 68.975 -26.466 15.220 1.00 0.00 H new ATOM 704 N GLY A 46 66.510 -23.131 16.718 1.00 0.00 N ATOM 705 CA GLY A 46 66.550 -21.675 16.559 1.00 0.00 C ATOM 706 C GLY A 46 65.188 -21.052 16.292 1.00 0.00 C ATOM 707 O GLY A 46 65.011 -19.839 16.464 1.00 0.00 O ATOM 0 H GLY A 46 66.266 -23.440 17.659 1.00 0.00 H new ATOM 0 HA2 GLY A 46 66.972 -21.231 17.461 1.00 0.00 H new ATOM 0 HA3 GLY A 46 67.221 -21.426 15.737 1.00 0.00 H new ATOM 711 N GLN A 47 64.229 -21.875 15.851 1.00 0.00 N ATOM 712 CA GLN A 47 62.861 -21.429 15.555 1.00 0.00 C ATOM 713 C GLN A 47 61.993 -21.584 16.807 1.00 0.00 C ATOM 714 O GLN A 47 61.949 -22.661 17.413 1.00 0.00 O ATOM 715 CB GLN A 47 62.258 -22.244 14.387 1.00 0.00 C ATOM 716 CG GLN A 47 63.109 -22.246 13.098 1.00 0.00 C ATOM 717 CD GLN A 47 62.413 -22.950 11.935 1.00 0.00 C ATOM 718 OE1 GLN A 47 61.721 -22.320 11.139 1.00 0.00 O ATOM 719 NE2 GLN A 47 62.547 -24.267 11.861 1.00 0.00 N ATOM 0 H GLN A 47 64.379 -22.871 15.689 1.00 0.00 H new ATOM 0 HA GLN A 47 62.890 -20.381 15.258 1.00 0.00 H new ATOM 0 HB2 GLN A 47 62.116 -23.274 14.715 1.00 0.00 H new ATOM 0 HB3 GLN A 47 61.271 -21.845 14.154 1.00 0.00 H new ATOM 0 HG2 GLN A 47 63.333 -21.218 12.814 1.00 0.00 H new ATOM 0 HG3 GLN A 47 64.062 -22.737 13.297 1.00 0.00 H new ATOM 0 HE21 GLN A 47 63.130 -24.759 12.538 1.00 0.00 H new ATOM 0 HE22 GLN A 47 62.068 -24.788 11.127 1.00 0.00 H new ATOM 728 N GLU A 48 61.301 -20.503 17.170 1.00 0.00 N ATOM 729 CA GLU A 48 60.480 -20.438 18.383 1.00 0.00 C ATOM 730 C GLU A 48 59.044 -20.032 18.023 1.00 0.00 C ATOM 731 O GLU A 48 58.828 -19.137 17.195 1.00 0.00 O ATOM 732 CB GLU A 48 61.120 -19.449 19.393 1.00 0.00 C ATOM 733 CG GLU A 48 61.236 -17.990 18.896 1.00 0.00 C ATOM 734 CD GLU A 48 62.072 -17.090 19.816 1.00 0.00 C ATOM 735 OE1 GLU A 48 61.741 -16.970 21.012 1.00 0.00 O ATOM 736 OE2 GLU A 48 63.076 -16.515 19.353 1.00 0.00 O ATOM 0 H GLU A 48 61.294 -19.640 16.627 1.00 0.00 H new ATOM 0 HA GLU A 48 60.438 -21.420 18.854 1.00 0.00 H new ATOM 0 HB2 GLU A 48 60.531 -19.459 20.310 1.00 0.00 H new ATOM 0 HB3 GLU A 48 62.116 -19.810 19.650 1.00 0.00 H new ATOM 0 HG2 GLU A 48 61.679 -17.989 17.900 1.00 0.00 H new ATOM 0 HG3 GLU A 48 60.236 -17.567 18.800 1.00 0.00 H new ATOM 743 N TYR A 49 58.064 -20.733 18.619 1.00 0.00 N ATOM 744 CA TYR A 49 56.623 -20.484 18.381 1.00 0.00 C ATOM 745 C TYR A 49 55.875 -20.580 19.711 1.00 0.00 C ATOM 746 O TYR A 49 56.393 -21.122 20.660 1.00 0.00 O ATOM 747 CB TYR A 49 55.998 -21.515 17.379 1.00 0.00 C ATOM 748 CG TYR A 49 56.958 -22.087 16.319 1.00 0.00 C ATOM 749 CD1 TYR A 49 57.261 -21.378 15.154 1.00 0.00 C ATOM 750 CD2 TYR A 49 57.550 -23.344 16.491 1.00 0.00 C ATOM 751 CE1 TYR A 49 58.112 -21.902 14.207 1.00 0.00 C ATOM 752 CE2 TYR A 49 58.398 -23.870 15.543 1.00 0.00 C ATOM 753 CZ TYR A 49 58.674 -23.148 14.404 1.00 0.00 C ATOM 754 OH TYR A 49 59.516 -23.679 13.449 1.00 0.00 O ATOM 0 H TYR A 49 58.244 -21.489 19.280 1.00 0.00 H new ATOM 0 HA TYR A 49 56.528 -19.490 17.943 1.00 0.00 H new ATOM 0 HB2 TYR A 49 55.584 -22.345 17.952 1.00 0.00 H new ATOM 0 HB3 TYR A 49 55.165 -21.035 16.866 1.00 0.00 H new ATOM 0 HD1 TYR A 49 56.821 -20.405 14.994 1.00 0.00 H new ATOM 0 HD2 TYR A 49 57.337 -23.912 17.385 1.00 0.00 H new ATOM 0 HE1 TYR A 49 58.339 -21.340 13.313 1.00 0.00 H new ATOM 0 HE2 TYR A 49 58.844 -24.842 15.692 1.00 0.00 H new ATOM 0 HH TYR A 49 59.827 -24.561 13.741 1.00 0.00 H new ATOM 764 N LEU A 50 54.647 -20.083 19.756 1.00 0.00 N ATOM 765 CA LEU A 50 53.731 -20.288 20.899 1.00 0.00 C ATOM 766 C LEU A 50 52.700 -21.351 20.479 1.00 0.00 C ATOM 767 O LEU A 50 52.073 -21.208 19.433 1.00 0.00 O ATOM 768 CB LEU A 50 53.068 -18.916 21.278 1.00 0.00 C ATOM 769 CG LEU A 50 52.111 -18.835 22.536 1.00 0.00 C ATOM 770 CD1 LEU A 50 50.727 -19.491 22.307 1.00 0.00 C ATOM 771 CD2 LEU A 50 52.793 -19.392 23.809 1.00 0.00 C ATOM 0 H LEU A 50 54.245 -19.523 19.005 1.00 0.00 H new ATOM 0 HA LEU A 50 54.253 -20.643 21.787 1.00 0.00 H new ATOM 0 HB2 LEU A 50 53.872 -18.196 21.432 1.00 0.00 H new ATOM 0 HB3 LEU A 50 52.499 -18.578 20.412 1.00 0.00 H new ATOM 0 HG LEU A 50 51.918 -17.773 22.689 1.00 0.00 H new ATOM 0 HD11 LEU A 50 50.126 -19.397 23.211 1.00 0.00 H new ATOM 0 HD12 LEU A 50 50.220 -18.992 21.481 1.00 0.00 H new ATOM 0 HD13 LEU A 50 50.860 -20.546 22.067 1.00 0.00 H new ATOM 0 HD21 LEU A 50 52.105 -19.320 24.652 1.00 0.00 H new ATOM 0 HD22 LEU A 50 53.063 -20.436 23.650 1.00 0.00 H new ATOM 0 HD23 LEU A 50 53.691 -18.813 24.023 1.00 0.00 H new ATOM 783 N LEU A 51 52.543 -22.415 21.277 1.00 0.00 N ATOM 784 CA LEU A 51 51.462 -23.397 21.100 1.00 0.00 C ATOM 785 C LEU A 51 50.631 -23.413 22.371 1.00 0.00 C ATOM 786 O LEU A 51 51.164 -23.628 23.472 1.00 0.00 O ATOM 787 CB LEU A 51 52.009 -24.811 20.780 1.00 0.00 C ATOM 788 CG LEU A 51 50.965 -25.932 20.458 1.00 0.00 C ATOM 789 CD1 LEU A 51 50.045 -25.535 19.292 1.00 0.00 C ATOM 790 CD2 LEU A 51 51.671 -27.276 20.167 1.00 0.00 C ATOM 0 H LEU A 51 53.160 -22.620 22.063 1.00 0.00 H new ATOM 0 HA LEU A 51 50.848 -23.107 20.247 1.00 0.00 H new ATOM 0 HB2 LEU A 51 52.685 -24.726 19.929 1.00 0.00 H new ATOM 0 HB3 LEU A 51 52.606 -25.141 21.630 1.00 0.00 H new ATOM 0 HG LEU A 51 50.339 -26.057 21.341 1.00 0.00 H new ATOM 0 HD11 LEU A 51 49.335 -26.339 19.099 1.00 0.00 H new ATOM 0 HD12 LEU A 51 49.502 -24.625 19.550 1.00 0.00 H new ATOM 0 HD13 LEU A 51 50.645 -25.359 18.399 1.00 0.00 H new ATOM 0 HD21 LEU A 51 50.924 -28.039 19.946 1.00 0.00 H new ATOM 0 HD22 LEU A 51 52.336 -27.160 19.311 1.00 0.00 H new ATOM 0 HD23 LEU A 51 52.252 -27.578 21.039 1.00 0.00 H new ATOM 802 N ARG A 52 49.333 -23.135 22.211 1.00 0.00 N ATOM 803 CA ARG A 52 48.372 -23.152 23.308 1.00 0.00 C ATOM 804 C ARG A 52 47.248 -24.142 22.992 1.00 0.00 C ATOM 805 O ARG A 52 46.796 -24.229 21.848 1.00 0.00 O ATOM 806 CB ARG A 52 47.812 -21.726 23.555 1.00 0.00 C ATOM 807 CG ARG A 52 47.005 -21.123 22.386 1.00 0.00 C ATOM 808 CD ARG A 52 46.416 -19.743 22.714 1.00 0.00 C ATOM 809 NE ARG A 52 45.573 -19.764 23.923 1.00 0.00 N ATOM 810 CZ ARG A 52 44.994 -18.694 24.502 1.00 0.00 C ATOM 811 NH1 ARG A 52 45.108 -17.471 23.984 1.00 0.00 N ATOM 812 NH2 ARG A 52 44.289 -18.868 25.609 1.00 0.00 N ATOM 0 H ARG A 52 48.922 -22.891 21.310 1.00 0.00 H new ATOM 0 HA ARG A 52 48.870 -23.476 24.221 1.00 0.00 H new ATOM 0 HB2 ARG A 52 47.175 -21.752 24.439 1.00 0.00 H new ATOM 0 HB3 ARG A 52 48.645 -21.060 23.781 1.00 0.00 H new ATOM 0 HG2 ARG A 52 47.650 -21.038 21.512 1.00 0.00 H new ATOM 0 HG3 ARG A 52 46.196 -21.804 22.121 1.00 0.00 H new ATOM 0 HD2 ARG A 52 47.227 -19.028 22.853 1.00 0.00 H new ATOM 0 HD3 ARG A 52 45.824 -19.393 21.868 1.00 0.00 H new ATOM 0 HE ARG A 52 45.413 -20.671 24.361 1.00 0.00 H new ATOM 0 HH11 ARG A 52 45.644 -17.328 23.128 1.00 0.00 H new ATOM 0 HH12 ARG A 52 44.659 -16.679 24.443 1.00 0.00 H new ATOM 0 HH21 ARG A 52 44.191 -19.801 26.010 1.00 0.00 H new ATOM 0 HH22 ARG A 52 43.844 -18.069 26.061 1.00 0.00 H new ATOM 826 N LYS A 53 46.832 -24.906 24.002 1.00 0.00 N ATOM 827 CA LYS A 53 45.656 -25.763 23.902 1.00 0.00 C ATOM 828 C LYS A 53 44.415 -24.913 24.171 1.00 0.00 C ATOM 829 O LYS A 53 44.276 -24.332 25.253 1.00 0.00 O ATOM 830 CB LYS A 53 45.740 -26.956 24.885 1.00 0.00 C ATOM 831 CG LYS A 53 46.852 -27.973 24.552 1.00 0.00 C ATOM 832 CD LYS A 53 46.953 -29.148 25.562 1.00 0.00 C ATOM 833 CE LYS A 53 45.921 -30.266 25.310 1.00 0.00 C ATOM 834 NZ LYS A 53 44.517 -29.835 25.540 1.00 0.00 N ATOM 0 H LYS A 53 47.300 -24.947 24.907 1.00 0.00 H new ATOM 0 HA LYS A 53 45.601 -26.188 22.900 1.00 0.00 H new ATOM 0 HB2 LYS A 53 45.904 -26.572 25.892 1.00 0.00 H new ATOM 0 HB3 LYS A 53 44.781 -27.473 24.894 1.00 0.00 H new ATOM 0 HG2 LYS A 53 46.674 -28.378 23.556 1.00 0.00 H new ATOM 0 HG3 LYS A 53 47.809 -27.452 24.519 1.00 0.00 H new ATOM 0 HD2 LYS A 53 47.956 -29.573 25.514 1.00 0.00 H new ATOM 0 HD3 LYS A 53 46.818 -28.761 26.572 1.00 0.00 H new ATOM 0 HE2 LYS A 53 46.022 -30.619 24.284 1.00 0.00 H new ATOM 0 HE3 LYS A 53 46.145 -31.111 25.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 43.947 -30.652 25.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 44.494 -29.107 26.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 44.125 -29.443 24.660 1.00 0.00 H new ATOM 848 N THR A 54 43.548 -24.810 23.158 1.00 0.00 N ATOM 849 CA THR A 54 42.294 -24.060 23.247 1.00 0.00 C ATOM 850 C THR A 54 41.291 -24.867 24.082 1.00 0.00 C ATOM 851 O THR A 54 41.299 -26.112 24.023 1.00 0.00 O ATOM 852 CB THR A 54 41.699 -23.781 21.823 1.00 0.00 C ATOM 853 OG1 THR A 54 41.177 -24.985 21.262 1.00 0.00 O ATOM 854 CG2 THR A 54 42.750 -23.197 20.867 1.00 0.00 C ATOM 0 H THR A 54 43.699 -25.248 22.249 1.00 0.00 H new ATOM 0 HA THR A 54 42.491 -23.099 23.721 1.00 0.00 H new ATOM 0 HB THR A 54 40.902 -23.048 21.946 1.00 0.00 H new ATOM 0 HG1 THR A 54 40.483 -24.766 20.606 1.00 0.00 H new ATOM 0 HG21 THR A 54 42.296 -23.019 19.892 1.00 0.00 H new ATOM 0 HG22 THR A 54 43.126 -22.256 21.270 1.00 0.00 H new ATOM 0 HG23 THR A 54 43.575 -23.901 20.760 1.00 0.00 H new ATOM 862 N GLN A 55 40.415 -24.148 24.821 1.00 0.00 N ATOM 863 CA GLN A 55 39.401 -24.748 25.725 1.00 0.00 C ATOM 864 C GLN A 55 38.318 -25.524 24.943 1.00 0.00 C ATOM 865 O GLN A 55 37.555 -26.295 25.522 1.00 0.00 O ATOM 866 CB GLN A 55 38.772 -23.650 26.624 1.00 0.00 C ATOM 867 CG GLN A 55 39.801 -22.901 27.494 1.00 0.00 C ATOM 868 CD GLN A 55 39.177 -21.800 28.343 1.00 0.00 C ATOM 869 OE1 GLN A 55 38.779 -22.028 29.485 1.00 0.00 O ATOM 870 NE2 GLN A 55 39.058 -20.610 27.779 1.00 0.00 N ATOM 0 H GLN A 55 40.390 -23.128 24.808 1.00 0.00 H new ATOM 0 HA GLN A 55 39.905 -25.474 26.363 1.00 0.00 H new ATOM 0 HB2 GLN A 55 38.250 -22.931 25.993 1.00 0.00 H new ATOM 0 HB3 GLN A 55 38.024 -24.107 27.272 1.00 0.00 H new ATOM 0 HG2 GLN A 55 40.304 -23.614 28.147 1.00 0.00 H new ATOM 0 HG3 GLN A 55 40.565 -22.466 26.849 1.00 0.00 H new ATOM 0 HE21 GLN A 55 39.400 -20.459 26.830 1.00 0.00 H new ATOM 0 HE22 GLN A 55 38.624 -19.843 28.293 1.00 0.00 H new ATOM 879 N ALA A 56 38.286 -25.322 23.613 1.00 0.00 N ATOM 880 CA ALA A 56 37.464 -26.116 22.680 1.00 0.00 C ATOM 881 C ALA A 56 37.989 -27.573 22.542 1.00 0.00 C ATOM 882 O ALA A 56 37.354 -28.407 21.876 1.00 0.00 O ATOM 883 CB ALA A 56 37.433 -25.425 21.306 1.00 0.00 C ATOM 0 H ALA A 56 38.835 -24.597 23.151 1.00 0.00 H new ATOM 0 HA ALA A 56 36.453 -26.174 23.084 1.00 0.00 H new ATOM 0 HB1 ALA A 56 36.826 -26.012 20.617 1.00 0.00 H new ATOM 0 HB2 ALA A 56 37.004 -24.428 21.410 1.00 0.00 H new ATOM 0 HB3 ALA A 56 38.448 -25.344 20.916 1.00 0.00 H new ATOM 889 N GLY A 57 39.161 -27.848 23.164 1.00 0.00 N ATOM 890 CA GLY A 57 39.791 -29.164 23.144 1.00 0.00 C ATOM 891 C GLY A 57 40.700 -29.322 21.943 1.00 0.00 C ATOM 892 O GLY A 57 40.775 -30.402 21.340 1.00 0.00 O ATOM 0 H GLY A 57 39.687 -27.152 23.692 1.00 0.00 H new ATOM 0 HA2 GLY A 57 40.366 -29.308 24.059 1.00 0.00 H new ATOM 0 HA3 GLY A 57 39.023 -29.937 23.125 1.00 0.00 H new ATOM 896 N LYS A 58 41.403 -28.230 21.594 1.00 0.00 N ATOM 897 CA LYS A 58 42.204 -28.137 20.347 1.00 0.00 C ATOM 898 C LYS A 58 43.569 -27.483 20.633 1.00 0.00 C ATOM 899 O LYS A 58 43.955 -27.325 21.791 1.00 0.00 O ATOM 900 CB LYS A 58 41.396 -27.321 19.285 1.00 0.00 C ATOM 901 CG LYS A 58 40.141 -28.042 18.740 1.00 0.00 C ATOM 902 CD LYS A 58 39.148 -27.100 18.015 1.00 0.00 C ATOM 903 CE LYS A 58 39.780 -26.296 16.870 1.00 0.00 C ATOM 904 NZ LYS A 58 38.764 -25.518 16.105 1.00 0.00 N ATOM 0 H LYS A 58 41.436 -27.385 22.164 1.00 0.00 H new ATOM 0 HA LYS A 58 42.396 -29.136 19.955 1.00 0.00 H new ATOM 0 HB2 LYS A 58 41.091 -26.373 19.729 1.00 0.00 H new ATOM 0 HB3 LYS A 58 42.055 -27.084 18.450 1.00 0.00 H new ATOM 0 HG2 LYS A 58 40.454 -28.826 18.050 1.00 0.00 H new ATOM 0 HG3 LYS A 58 39.626 -28.531 19.567 1.00 0.00 H new ATOM 0 HD2 LYS A 58 38.323 -27.692 17.619 1.00 0.00 H new ATOM 0 HD3 LYS A 58 38.723 -26.407 18.741 1.00 0.00 H new ATOM 0 HE2 LYS A 58 40.528 -25.615 17.276 1.00 0.00 H new ATOM 0 HE3 LYS A 58 40.300 -26.975 16.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 39.233 -24.990 15.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 38.064 -26.169 15.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 38.285 -24.851 16.743 1.00 0.00 H new ATOM 918 N LEU A 59 44.296 -27.143 19.555 1.00 0.00 N ATOM 919 CA LEU A 59 45.602 -26.446 19.603 1.00 0.00 C ATOM 920 C LEU A 59 45.500 -25.087 18.885 1.00 0.00 C ATOM 921 O LEU A 59 44.514 -24.833 18.180 1.00 0.00 O ATOM 922 CB LEU A 59 46.695 -27.331 18.931 1.00 0.00 C ATOM 923 CG LEU A 59 47.137 -28.599 19.726 1.00 0.00 C ATOM 924 CD1 LEU A 59 48.106 -29.468 18.896 1.00 0.00 C ATOM 925 CD2 LEU A 59 47.769 -28.212 21.074 1.00 0.00 C ATOM 0 H LEU A 59 43.990 -27.347 18.604 1.00 0.00 H new ATOM 0 HA LEU A 59 45.878 -26.271 20.643 1.00 0.00 H new ATOM 0 HB2 LEU A 59 46.327 -27.649 17.955 1.00 0.00 H new ATOM 0 HB3 LEU A 59 47.575 -26.713 18.754 1.00 0.00 H new ATOM 0 HG LEU A 59 46.244 -29.191 19.928 1.00 0.00 H new ATOM 0 HD11 LEU A 59 48.397 -30.344 19.476 1.00 0.00 H new ATOM 0 HD12 LEU A 59 47.613 -29.788 17.978 1.00 0.00 H new ATOM 0 HD13 LEU A 59 48.994 -28.887 18.647 1.00 0.00 H new ATOM 0 HD21 LEU A 59 48.068 -29.114 21.608 1.00 0.00 H new ATOM 0 HD22 LEU A 59 48.644 -27.587 20.899 1.00 0.00 H new ATOM 0 HD23 LEU A 59 47.043 -27.661 21.671 1.00 0.00 H new ATOM 937 N LEU A 60 46.511 -24.212 19.082 1.00 0.00 N ATOM 938 CA LEU A 60 46.633 -22.939 18.352 1.00 0.00 C ATOM 939 C LEU A 60 48.126 -22.539 18.296 1.00 0.00 C ATOM 940 O LEU A 60 48.703 -22.120 19.310 1.00 0.00 O ATOM 941 CB LEU A 60 45.767 -21.840 19.037 1.00 0.00 C ATOM 942 CG LEU A 60 45.316 -20.658 18.132 1.00 0.00 C ATOM 943 CD1 LEU A 60 44.373 -21.150 17.016 1.00 0.00 C ATOM 944 CD2 LEU A 60 44.650 -19.549 18.967 1.00 0.00 C ATOM 0 H LEU A 60 47.263 -24.372 19.752 1.00 0.00 H new ATOM 0 HA LEU A 60 46.263 -23.052 17.333 1.00 0.00 H new ATOM 0 HB2 LEU A 60 44.877 -22.314 19.451 1.00 0.00 H new ATOM 0 HB3 LEU A 60 46.331 -21.433 19.876 1.00 0.00 H new ATOM 0 HG LEU A 60 46.204 -20.236 17.661 1.00 0.00 H new ATOM 0 HD11 LEU A 60 44.071 -20.306 16.396 1.00 0.00 H new ATOM 0 HD12 LEU A 60 44.891 -21.885 16.400 1.00 0.00 H new ATOM 0 HD13 LEU A 60 43.490 -21.607 17.461 1.00 0.00 H new ATOM 0 HD21 LEU A 60 44.344 -18.734 18.311 1.00 0.00 H new ATOM 0 HD22 LEU A 60 43.775 -19.953 19.477 1.00 0.00 H new ATOM 0 HD23 LEU A 60 45.359 -19.174 19.705 1.00 0.00 H new ATOM 956 N LEU A 61 48.747 -22.739 17.119 1.00 0.00 N ATOM 957 CA LEU A 61 50.181 -22.466 16.886 1.00 0.00 C ATOM 958 C LEU A 61 50.320 -21.042 16.309 1.00 0.00 C ATOM 959 O LEU A 61 50.057 -20.802 15.120 1.00 0.00 O ATOM 960 CB LEU A 61 50.780 -23.564 15.939 1.00 0.00 C ATOM 961 CG LEU A 61 52.348 -23.756 15.897 1.00 0.00 C ATOM 962 CD1 LEU A 61 53.083 -22.600 15.204 1.00 0.00 C ATOM 963 CD2 LEU A 61 52.927 -24.003 17.310 1.00 0.00 C ATOM 0 H LEU A 61 48.265 -23.098 16.295 1.00 0.00 H new ATOM 0 HA LEU A 61 50.746 -22.510 17.817 1.00 0.00 H new ATOM 0 HB2 LEU A 61 50.337 -24.520 16.219 1.00 0.00 H new ATOM 0 HB3 LEU A 61 50.447 -23.344 14.925 1.00 0.00 H new ATOM 0 HG LEU A 61 52.521 -24.644 15.290 1.00 0.00 H new ATOM 0 HD11 LEU A 61 54.155 -22.795 15.210 1.00 0.00 H new ATOM 0 HD12 LEU A 61 52.736 -22.513 14.175 1.00 0.00 H new ATOM 0 HD13 LEU A 61 52.881 -21.670 15.735 1.00 0.00 H new ATOM 0 HD21 LEU A 61 54.007 -24.131 17.243 1.00 0.00 H new ATOM 0 HD22 LEU A 61 52.701 -23.150 17.950 1.00 0.00 H new ATOM 0 HD23 LEU A 61 52.481 -24.903 17.734 1.00 0.00 H new ATOM 975 N THR A 62 50.711 -20.105 17.178 1.00 0.00 N ATOM 976 CA THR A 62 50.849 -18.678 16.849 1.00 0.00 C ATOM 977 C THR A 62 52.309 -18.239 17.033 1.00 0.00 C ATOM 978 O THR A 62 52.916 -18.559 18.051 1.00 0.00 O ATOM 979 CB THR A 62 49.924 -17.819 17.775 1.00 0.00 C ATOM 980 OG1 THR A 62 50.290 -18.023 19.157 1.00 0.00 O ATOM 981 CG2 THR A 62 48.437 -18.178 17.599 1.00 0.00 C ATOM 0 H THR A 62 50.945 -20.318 18.148 1.00 0.00 H new ATOM 0 HA THR A 62 50.554 -18.527 15.811 1.00 0.00 H new ATOM 0 HB THR A 62 50.061 -16.776 17.491 1.00 0.00 H new ATOM 0 HG1 THR A 62 49.710 -17.482 19.732 1.00 0.00 H new ATOM 0 HG21 THR A 62 47.832 -17.558 18.261 1.00 0.00 H new ATOM 0 HG22 THR A 62 48.140 -18.002 16.565 1.00 0.00 H new ATOM 0 HG23 THR A 62 48.285 -19.228 17.847 1.00 0.00 H new ATOM 989 N LYS A 63 52.870 -17.510 16.056 1.00 0.00 N ATOM 990 CA LYS A 63 54.227 -16.934 16.161 1.00 0.00 C ATOM 991 C LYS A 63 54.184 -15.455 15.704 1.00 0.00 C ATOM 992 O LYS A 63 54.142 -15.188 14.492 1.00 0.00 O ATOM 993 CB LYS A 63 55.320 -17.778 15.389 1.00 0.00 C ATOM 994 CG LYS A 63 54.980 -18.235 13.934 1.00 0.00 C ATOM 995 CD LYS A 63 54.014 -19.438 13.884 1.00 0.00 C ATOM 996 CE LYS A 63 53.701 -19.918 12.456 1.00 0.00 C ATOM 997 NZ LYS A 63 53.016 -18.882 11.645 1.00 0.00 N ATOM 998 OXT LYS A 63 54.139 -14.559 16.578 1.00 0.00 O ATOM 0 H LYS A 63 52.402 -17.302 15.174 1.00 0.00 H new ATOM 0 HA LYS A 63 54.539 -16.973 17.205 1.00 0.00 H new ATOM 0 HB2 LYS A 63 56.236 -17.189 15.352 1.00 0.00 H new ATOM 0 HB3 LYS A 63 55.537 -18.668 15.980 1.00 0.00 H new ATOM 0 HG2 LYS A 63 54.538 -17.399 13.392 1.00 0.00 H new ATOM 0 HG3 LYS A 63 55.903 -18.497 13.417 1.00 0.00 H new ATOM 0 HD2 LYS A 63 54.446 -20.264 14.449 1.00 0.00 H new ATOM 0 HD3 LYS A 63 53.082 -19.166 14.379 1.00 0.00 H new ATOM 0 HE2 LYS A 63 54.629 -20.207 11.962 1.00 0.00 H new ATOM 0 HE3 LYS A 63 53.075 -20.809 12.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 52.782 -19.272 10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 52.142 -18.587 12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 53.643 -18.060 11.531 1.00 0.00 H new