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 44 HIS : no HE2:sc= 0.187 K(o=0.29,f=-1.9) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0.0989 USER MOD Set 2.1: A 45 ASN : amide:sc= -0.915 K(o=0.79,f=1.9) USER MOD Set 2.2: A 47 GLN : amide:sc= 0.437 K(o=0.79,f=-5.5!) USER MOD Set 2.3: A 63 LYS NZ :NH3+ -150:sc= 1.27 (180deg=0.786) USER MOD Single : A 29 ASN : amide:sc= 0.0676 K(o=0.068,f=-1.3!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.726 K(o=-0.73,f=-12!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -143:sc= -0.549 (180deg=-2.41!) USER MOD Single : A 54 THR OG1 : rot 160:sc= -0.722 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 -50:sc= -0.958 USER MOD ----------------------------------------------------------------- ATOM 355 N ALA A 23 49.567 -16.419 24.917 1.00 0.00 N ATOM 356 CA ALA A 23 49.030 -17.352 25.934 1.00 0.00 C ATOM 357 C ALA A 23 50.046 -17.574 27.068 1.00 0.00 C ATOM 358 O ALA A 23 49.664 -17.755 28.226 1.00 0.00 O ATOM 359 CB ALA A 23 48.653 -18.683 25.284 1.00 0.00 C ATOM 0 HA ALA A 23 48.134 -16.907 26.367 1.00 0.00 H new ATOM 0 HB1 ALA A 23 48.260 -19.360 26.042 1.00 0.00 H new ATOM 0 HB2 ALA A 23 47.894 -18.513 24.521 1.00 0.00 H new ATOM 0 HB3 ALA A 23 49.536 -19.127 24.825 1.00 0.00 H new ATOM 365 N ALA A 24 51.336 -17.538 26.693 1.00 0.00 N ATOM 366 CA ALA A 24 52.467 -17.578 27.626 1.00 0.00 C ATOM 367 C ALA A 24 53.727 -17.075 26.914 1.00 0.00 C ATOM 368 O ALA A 24 53.814 -17.146 25.684 1.00 0.00 O ATOM 369 CB ALA A 24 52.685 -18.997 28.170 1.00 0.00 C ATOM 0 H ALA A 24 51.623 -17.479 25.716 1.00 0.00 H new ATOM 0 HA ALA A 24 52.247 -16.931 28.475 1.00 0.00 H new ATOM 0 HB1 ALA A 24 53.530 -18.997 28.859 1.00 0.00 H new ATOM 0 HB2 ALA A 24 51.789 -19.327 28.695 1.00 0.00 H new ATOM 0 HB3 ALA A 24 52.892 -19.676 27.343 1.00 0.00 H new ATOM 375 N GLU A 25 54.693 -16.569 27.692 1.00 0.00 N ATOM 376 CA GLU A 25 56.011 -16.118 27.183 1.00 0.00 C ATOM 377 C GLU A 25 57.114 -17.104 27.620 1.00 0.00 C ATOM 378 O GLU A 25 58.301 -16.755 27.646 1.00 0.00 O ATOM 379 CB GLU A 25 56.301 -14.687 27.713 1.00 0.00 C ATOM 380 CG GLU A 25 55.304 -13.614 27.232 1.00 0.00 C ATOM 381 CD GLU A 25 55.588 -12.219 27.817 1.00 0.00 C ATOM 382 OE1 GLU A 25 56.631 -11.622 27.476 1.00 0.00 O ATOM 383 OE2 GLU A 25 54.768 -11.705 28.600 1.00 0.00 O ATOM 0 H GLU A 25 54.589 -16.457 28.700 1.00 0.00 H new ATOM 0 HA GLU A 25 55.996 -16.093 26.093 1.00 0.00 H new ATOM 0 HB2 GLU A 25 56.295 -14.708 28.803 1.00 0.00 H new ATOM 0 HB3 GLU A 25 57.305 -14.396 27.406 1.00 0.00 H new ATOM 0 HG2 GLU A 25 55.336 -13.558 26.144 1.00 0.00 H new ATOM 0 HG3 GLU A 25 54.293 -13.917 27.506 1.00 0.00 H new ATOM 390 N ARG A 26 56.702 -18.354 27.907 1.00 0.00 N ATOM 391 CA ARG A 26 57.600 -19.408 28.405 1.00 0.00 C ATOM 392 C ARG A 26 58.240 -20.179 27.232 1.00 0.00 C ATOM 393 O ARG A 26 57.623 -21.086 26.671 1.00 0.00 O ATOM 394 CB ARG A 26 56.805 -20.370 29.337 1.00 0.00 C ATOM 395 CG ARG A 26 57.629 -21.542 29.916 1.00 0.00 C ATOM 396 CD ARG A 26 58.769 -21.086 30.845 1.00 0.00 C ATOM 397 NE ARG A 26 58.256 -20.456 32.074 1.00 0.00 N ATOM 398 CZ ARG A 26 58.972 -20.213 33.184 1.00 0.00 C ATOM 399 NH1 ARG A 26 60.257 -20.527 33.256 1.00 0.00 N ATOM 400 NH2 ARG A 26 58.391 -19.655 34.229 1.00 0.00 N ATOM 0 H ARG A 26 55.735 -18.659 27.799 1.00 0.00 H new ATOM 0 HA ARG A 26 58.407 -18.950 28.977 1.00 0.00 H new ATOM 0 HB2 ARG A 26 56.391 -19.792 30.164 1.00 0.00 H new ATOM 0 HB3 ARG A 26 55.962 -20.778 28.780 1.00 0.00 H new ATOM 0 HG2 ARG A 26 56.964 -22.207 30.468 1.00 0.00 H new ATOM 0 HG3 ARG A 26 58.049 -22.122 29.094 1.00 0.00 H new ATOM 0 HD2 ARG A 26 59.388 -21.944 31.108 1.00 0.00 H new ATOM 0 HD3 ARG A 26 59.409 -20.381 30.315 1.00 0.00 H new ATOM 0 HE ARG A 26 57.274 -20.181 32.083 1.00 0.00 H new ATOM 0 HH11 ARG A 26 60.721 -20.962 32.459 1.00 0.00 H new ATOM 0 HH12 ARG A 26 60.782 -20.334 34.109 1.00 0.00 H new ATOM 0 HH21 ARG A 26 57.402 -19.410 34.192 1.00 0.00 H new ATOM 0 HH22 ARG A 26 58.931 -19.469 35.074 1.00 0.00 H new ATOM 414 N ARG A 27 59.466 -19.778 26.846 1.00 0.00 N ATOM 415 CA ARG A 27 60.254 -20.487 25.820 1.00 0.00 C ATOM 416 C ARG A 27 60.908 -21.745 26.431 1.00 0.00 C ATOM 417 O ARG A 27 62.002 -21.675 27.010 1.00 0.00 O ATOM 418 CB ARG A 27 61.337 -19.564 25.169 1.00 0.00 C ATOM 419 CG ARG A 27 60.814 -18.563 24.116 1.00 0.00 C ATOM 420 CD ARG A 27 59.912 -17.453 24.684 1.00 0.00 C ATOM 421 NE ARG A 27 60.645 -16.500 25.538 1.00 0.00 N ATOM 422 CZ ARG A 27 61.082 -15.285 25.150 1.00 0.00 C ATOM 423 NH1 ARG A 27 61.016 -14.913 23.875 1.00 0.00 N ATOM 424 NH2 ARG A 27 61.617 -14.461 26.044 1.00 0.00 N ATOM 0 H ARG A 27 59.935 -18.959 27.233 1.00 0.00 H new ATOM 0 HA ARG A 27 59.570 -20.788 25.026 1.00 0.00 H new ATOM 0 HB2 ARG A 27 61.835 -19.004 25.961 1.00 0.00 H new ATOM 0 HB3 ARG A 27 62.093 -20.195 24.701 1.00 0.00 H new ATOM 0 HG2 ARG A 27 61.666 -18.102 23.617 1.00 0.00 H new ATOM 0 HG3 ARG A 27 60.258 -19.112 23.356 1.00 0.00 H new ATOM 0 HD2 ARG A 27 59.447 -16.912 23.860 1.00 0.00 H new ATOM 0 HD3 ARG A 27 59.107 -17.906 25.262 1.00 0.00 H new ATOM 0 HE ARG A 27 60.837 -16.783 26.499 1.00 0.00 H new ATOM 0 HH11 ARG A 27 60.631 -15.550 23.177 1.00 0.00 H new ATOM 0 HH12 ARG A 27 61.350 -13.991 23.595 1.00 0.00 H new ATOM 0 HH21 ARG A 27 61.696 -14.748 27.019 1.00 0.00 H new ATOM 0 HH22 ARG A 27 61.949 -13.541 25.755 1.00 0.00 H new ATOM 438 N VAL A 28 60.184 -22.876 26.361 1.00 0.00 N ATOM 439 CA VAL A 28 60.720 -24.214 26.695 1.00 0.00 C ATOM 440 C VAL A 28 61.009 -24.981 25.408 1.00 0.00 C ATOM 441 O VAL A 28 60.353 -24.748 24.396 1.00 0.00 O ATOM 442 CB VAL A 28 59.747 -25.066 27.596 1.00 0.00 C ATOM 443 CG1 VAL A 28 59.642 -24.483 29.021 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.358 -25.205 26.939 1.00 0.00 C ATOM 0 H VAL A 28 59.206 -22.891 26.070 1.00 0.00 H new ATOM 0 HA VAL A 28 61.632 -24.054 27.270 1.00 0.00 H new ATOM 0 HB VAL A 28 60.171 -26.066 27.685 1.00 0.00 H new ATOM 0 HG11 VAL A 28 58.963 -25.095 29.615 1.00 0.00 H new ATOM 0 HG12 VAL A 28 60.628 -24.479 29.486 1.00 0.00 H new ATOM 0 HG13 VAL A 28 59.261 -23.463 28.970 1.00 0.00 H new ATOM 0 HG21 VAL A 28 57.708 -25.798 27.583 1.00 0.00 H new ATOM 0 HG22 VAL A 28 57.923 -24.216 26.796 1.00 0.00 H new ATOM 0 HG23 VAL A 28 58.460 -25.700 25.973 1.00 0.00 H new ATOM 454 N ASN A 29 61.973 -25.914 25.473 1.00 0.00 N ATOM 455 CA ASN A 29 62.403 -26.725 24.318 1.00 0.00 C ATOM 456 C ASN A 29 61.243 -27.607 23.769 1.00 0.00 C ATOM 457 O ASN A 29 60.280 -27.902 24.492 1.00 0.00 O ATOM 458 CB ASN A 29 63.635 -27.577 24.737 1.00 0.00 C ATOM 459 CG ASN A 29 64.253 -28.397 23.602 1.00 0.00 C ATOM 460 OD1 ASN A 29 64.281 -27.965 22.449 1.00 0.00 O ATOM 461 ND2 ASN A 29 64.736 -29.587 23.918 1.00 0.00 N ATOM 0 H ASN A 29 62.480 -26.129 26.332 1.00 0.00 H new ATOM 0 HA ASN A 29 62.689 -26.065 23.499 1.00 0.00 H new ATOM 0 HB2 ASN A 29 64.397 -26.914 25.147 1.00 0.00 H new ATOM 0 HB3 ASN A 29 63.338 -28.254 25.538 1.00 0.00 H new ATOM 0 HD21 ASN A 29 65.148 -30.178 23.196 1.00 0.00 H new ATOM 0 HD22 ASN A 29 64.696 -29.913 24.884 1.00 0.00 H new ATOM 468 N SER A 30 61.373 -27.994 22.485 1.00 0.00 N ATOM 469 CA SER A 30 60.366 -28.739 21.695 1.00 0.00 C ATOM 470 C SER A 30 59.698 -29.931 22.429 1.00 0.00 C ATOM 471 O SER A 30 58.485 -30.122 22.288 1.00 0.00 O ATOM 472 CB SER A 30 61.027 -29.238 20.394 1.00 0.00 C ATOM 473 OG SER A 30 60.095 -29.874 19.532 1.00 0.00 O ATOM 0 H SER A 30 62.215 -27.789 21.946 1.00 0.00 H new ATOM 0 HA SER A 30 59.556 -28.036 21.500 1.00 0.00 H new ATOM 0 HB2 SER A 30 61.485 -28.396 19.874 1.00 0.00 H new ATOM 0 HB3 SER A 30 61.828 -29.935 20.639 1.00 0.00 H new ATOM 0 HG SER A 30 60.553 -30.174 18.719 1.00 0.00 H new ATOM 479 N GLN A 31 60.473 -30.723 23.207 1.00 0.00 N ATOM 480 CA GLN A 31 59.944 -31.947 23.870 1.00 0.00 C ATOM 481 C GLN A 31 58.852 -31.599 24.914 1.00 0.00 C ATOM 482 O GLN A 31 57.943 -32.400 25.174 1.00 0.00 O ATOM 483 CB GLN A 31 61.089 -32.808 24.512 1.00 0.00 C ATOM 484 CG GLN A 31 61.548 -32.458 25.958 1.00 0.00 C ATOM 485 CD GLN A 31 62.286 -31.126 26.131 1.00 0.00 C ATOM 486 OE1 GLN A 31 62.052 -30.164 25.419 1.00 0.00 O ATOM 487 NE2 GLN A 31 63.176 -31.059 27.105 1.00 0.00 N ATOM 0 H GLN A 31 61.459 -30.542 23.392 1.00 0.00 H new ATOM 0 HA GLN A 31 59.480 -32.554 23.093 1.00 0.00 H new ATOM 0 HB2 GLN A 31 60.766 -33.849 24.508 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.961 -32.742 23.861 1.00 0.00 H new ATOM 0 HG2 GLN A 31 60.670 -32.449 26.603 1.00 0.00 H new ATOM 0 HG3 GLN A 31 62.197 -33.258 26.314 1.00 0.00 H new ATOM 0 HE21 GLN A 31 63.356 -31.876 27.689 1.00 0.00 H new ATOM 0 HE22 GLN A 31 63.683 -30.190 27.274 1.00 0.00 H new ATOM 496 N ALA A 32 58.951 -30.381 25.474 1.00 0.00 N ATOM 497 CA ALA A 32 57.992 -29.835 26.457 1.00 0.00 C ATOM 498 C ALA A 32 56.973 -28.891 25.773 1.00 0.00 C ATOM 499 O ALA A 32 56.459 -27.965 26.404 1.00 0.00 O ATOM 500 CB ALA A 32 58.780 -29.105 27.563 1.00 0.00 C ATOM 0 H ALA A 32 59.710 -29.736 25.255 1.00 0.00 H new ATOM 0 HA ALA A 32 57.419 -30.649 26.901 1.00 0.00 H new ATOM 0 HB1 ALA A 32 58.084 -28.697 28.296 1.00 0.00 H new ATOM 0 HB2 ALA A 32 59.454 -29.807 28.054 1.00 0.00 H new ATOM 0 HB3 ALA A 32 59.360 -28.294 27.122 1.00 0.00 H new ATOM 506 N LEU A 33 56.663 -29.184 24.481 1.00 0.00 N ATOM 507 CA LEU A 33 55.711 -28.410 23.630 1.00 0.00 C ATOM 508 C LEU A 33 54.355 -28.102 24.305 1.00 0.00 C ATOM 509 O LEU A 33 53.690 -27.125 23.949 1.00 0.00 O ATOM 510 CB LEU A 33 55.456 -29.126 22.259 1.00 0.00 C ATOM 511 CG LEU A 33 54.591 -30.439 22.249 1.00 0.00 C ATOM 512 CD1 LEU A 33 54.300 -30.890 20.800 1.00 0.00 C ATOM 513 CD2 LEU A 33 55.245 -31.587 23.057 1.00 0.00 C ATOM 0 H LEU A 33 57.074 -29.979 23.991 1.00 0.00 H new ATOM 0 HA LEU A 33 56.207 -27.453 23.467 1.00 0.00 H new ATOM 0 HB2 LEU A 33 54.976 -28.408 21.594 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.426 -29.365 21.824 1.00 0.00 H new ATOM 0 HG LEU A 33 53.648 -30.201 22.742 1.00 0.00 H new ATOM 0 HD11 LEU A 33 53.700 -31.800 20.816 1.00 0.00 H new ATOM 0 HD12 LEU A 33 53.754 -30.105 20.277 1.00 0.00 H new ATOM 0 HD13 LEU A 33 55.240 -31.084 20.284 1.00 0.00 H new ATOM 0 HD21 LEU A 33 54.607 -32.470 23.017 1.00 0.00 H new ATOM 0 HD22 LEU A 33 56.219 -31.824 22.629 1.00 0.00 H new ATOM 0 HD23 LEU A 33 55.370 -31.276 24.094 1.00 0.00 H new ATOM 525 N LEU A 34 53.935 -28.964 25.243 1.00 0.00 N ATOM 526 CA LEU A 34 52.738 -28.735 26.072 1.00 0.00 C ATOM 527 C LEU A 34 53.091 -28.997 27.537 1.00 0.00 C ATOM 528 O LEU A 34 52.874 -28.148 28.410 1.00 0.00 O ATOM 529 CB LEU A 34 51.563 -29.661 25.618 1.00 0.00 C ATOM 530 CG LEU A 34 51.032 -29.451 24.158 1.00 0.00 C ATOM 531 CD1 LEU A 34 49.946 -30.488 23.790 1.00 0.00 C ATOM 532 CD2 LEU A 34 50.512 -28.004 23.955 1.00 0.00 C ATOM 0 H LEU A 34 54.414 -29.840 25.450 1.00 0.00 H new ATOM 0 HA LEU A 34 52.411 -27.702 25.954 1.00 0.00 H new ATOM 0 HB2 LEU A 34 51.887 -30.697 25.718 1.00 0.00 H new ATOM 0 HB3 LEU A 34 50.731 -29.519 26.308 1.00 0.00 H new ATOM 0 HG LEU A 34 51.873 -29.605 23.482 1.00 0.00 H new ATOM 0 HD11 LEU A 34 49.603 -30.310 22.771 1.00 0.00 H new ATOM 0 HD12 LEU A 34 50.363 -31.493 23.862 1.00 0.00 H new ATOM 0 HD13 LEU A 34 49.105 -30.394 24.477 1.00 0.00 H new ATOM 0 HD21 LEU A 34 50.150 -27.887 22.933 1.00 0.00 H new ATOM 0 HD22 LEU A 34 49.698 -27.809 24.653 1.00 0.00 H new ATOM 0 HD23 LEU A 34 51.322 -27.298 24.136 1.00 0.00 H new ATOM 544 N GLY A 35 53.652 -30.194 27.778 1.00 0.00 N ATOM 545 CA GLY A 35 53.910 -30.686 29.126 1.00 0.00 C ATOM 546 C GLY A 35 52.615 -30.896 29.913 1.00 0.00 C ATOM 547 O GLY A 35 51.590 -31.254 29.306 1.00 0.00 O ATOM 0 H GLY A 35 53.936 -30.840 27.041 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.458 -31.627 29.071 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.546 -29.977 29.656 1.00 0.00 H new ATOM 551 N PRO A 36 52.607 -30.676 31.266 1.00 0.00 N ATOM 552 CA PRO A 36 51.357 -30.619 32.057 1.00 0.00 C ATOM 553 C PRO A 36 50.728 -29.201 32.066 1.00 0.00 C ATOM 554 O PRO A 36 49.640 -29.010 32.621 1.00 0.00 O ATOM 555 CB PRO A 36 51.840 -31.048 33.460 1.00 0.00 C ATOM 556 CG PRO A 36 53.236 -30.484 33.557 1.00 0.00 C ATOM 557 CD PRO A 36 53.808 -30.497 32.141 1.00 0.00 C ATOM 0 HA PRO A 36 50.564 -31.250 31.656 1.00 0.00 H new ATOM 0 HB2 PRO A 36 51.194 -30.650 34.243 1.00 0.00 H new ATOM 0 HB3 PRO A 36 51.840 -32.133 33.567 1.00 0.00 H new ATOM 0 HG2 PRO A 36 53.218 -29.471 33.959 1.00 0.00 H new ATOM 0 HG3 PRO A 36 53.851 -31.083 34.229 1.00 0.00 H new ATOM 0 HD2 PRO A 36 54.332 -29.569 31.914 1.00 0.00 H new ATOM 0 HD3 PRO A 36 54.524 -31.308 32.007 1.00 0.00 H new ATOM 565 N ASP A 37 51.416 -28.228 31.423 1.00 0.00 N ATOM 566 CA ASP A 37 51.004 -26.817 31.394 1.00 0.00 C ATOM 567 C ASP A 37 49.911 -26.599 30.332 1.00 0.00 C ATOM 568 O ASP A 37 48.804 -26.164 30.653 1.00 0.00 O ATOM 569 CB ASP A 37 52.227 -25.912 31.112 1.00 0.00 C ATOM 570 CG ASP A 37 51.884 -24.415 31.204 1.00 0.00 C ATOM 571 OD1 ASP A 37 51.961 -23.841 32.311 1.00 0.00 O ATOM 572 OD2 ASP A 37 51.528 -23.816 30.177 1.00 0.00 O ATOM 0 H ASP A 37 52.278 -28.408 30.908 1.00 0.00 H new ATOM 0 HA ASP A 37 50.592 -26.551 32.367 1.00 0.00 H new ATOM 0 HB2 ASP A 37 53.019 -26.145 31.824 1.00 0.00 H new ATOM 0 HB3 ASP A 37 52.617 -26.132 30.118 1.00 0.00 H new ATOM 577 N GLY A 38 50.244 -26.899 29.060 1.00 0.00 N ATOM 578 CA GLY A 38 49.286 -26.818 27.946 1.00 0.00 C ATOM 579 C GLY A 38 49.503 -25.631 27.015 1.00 0.00 C ATOM 580 O GLY A 38 49.163 -25.712 25.837 1.00 0.00 O ATOM 0 H GLY A 38 51.177 -27.201 28.781 1.00 0.00 H new ATOM 0 HA2 GLY A 38 49.346 -27.737 27.363 1.00 0.00 H new ATOM 0 HA3 GLY A 38 48.277 -26.765 28.354 1.00 0.00 H new ATOM 584 N LYS A 39 50.054 -24.515 27.528 1.00 0.00 N ATOM 585 CA LYS A 39 50.258 -23.279 26.729 1.00 0.00 C ATOM 586 C LYS A 39 51.664 -22.691 26.953 1.00 0.00 C ATOM 587 O LYS A 39 51.908 -21.969 27.912 1.00 0.00 O ATOM 588 CB LYS A 39 49.086 -22.242 26.983 1.00 0.00 C ATOM 589 CG LYS A 39 48.505 -22.158 28.429 1.00 0.00 C ATOM 590 CD LYS A 39 49.387 -21.362 29.418 1.00 0.00 C ATOM 591 CE LYS A 39 48.876 -21.410 30.862 1.00 0.00 C ATOM 592 NZ LYS A 39 49.837 -20.786 31.809 1.00 0.00 N ATOM 0 H LYS A 39 50.369 -24.438 28.495 1.00 0.00 H new ATOM 0 HA LYS A 39 50.213 -23.535 25.670 1.00 0.00 H new ATOM 0 HB2 LYS A 39 49.447 -21.251 26.706 1.00 0.00 H new ATOM 0 HB3 LYS A 39 48.268 -22.485 26.304 1.00 0.00 H new ATOM 0 HG2 LYS A 39 47.518 -21.697 28.386 1.00 0.00 H new ATOM 0 HG3 LYS A 39 48.368 -23.169 28.813 1.00 0.00 H new ATOM 0 HD2 LYS A 39 50.403 -21.756 29.386 1.00 0.00 H new ATOM 0 HD3 LYS A 39 49.438 -20.323 29.093 1.00 0.00 H new ATOM 0 HE2 LYS A 39 47.917 -20.895 30.925 1.00 0.00 H new ATOM 0 HE3 LYS A 39 48.701 -22.446 31.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 49.456 -20.838 32.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 50.744 -21.293 31.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 49.984 -19.790 31.548 1.00 0.00 H new ATOM 606 N VAL A 40 52.609 -23.034 26.059 1.00 0.00 N ATOM 607 CA VAL A 40 54.015 -22.588 26.150 1.00 0.00 C ATOM 608 C VAL A 40 54.570 -22.311 24.748 1.00 0.00 C ATOM 609 O VAL A 40 54.010 -22.769 23.745 1.00 0.00 O ATOM 610 CB VAL A 40 54.934 -23.659 26.864 1.00 0.00 C ATOM 611 CG1 VAL A 40 54.573 -23.869 28.360 1.00 0.00 C ATOM 612 CG2 VAL A 40 54.916 -24.999 26.086 1.00 0.00 C ATOM 0 H VAL A 40 52.421 -23.629 25.252 1.00 0.00 H new ATOM 0 HA VAL A 40 54.024 -21.677 26.749 1.00 0.00 H new ATOM 0 HB VAL A 40 55.949 -23.262 26.852 1.00 0.00 H new ATOM 0 HG11 VAL A 40 55.239 -24.615 28.794 1.00 0.00 H new ATOM 0 HG12 VAL A 40 54.685 -22.927 28.897 1.00 0.00 H new ATOM 0 HG13 VAL A 40 53.542 -24.212 28.441 1.00 0.00 H new ATOM 0 HG21 VAL A 40 55.554 -25.723 26.593 1.00 0.00 H new ATOM 0 HG22 VAL A 40 53.896 -25.381 26.044 1.00 0.00 H new ATOM 0 HG23 VAL A 40 55.285 -24.837 25.073 1.00 0.00 H new ATOM 622 N ILE A 41 55.665 -21.552 24.684 1.00 0.00 N ATOM 623 CA ILE A 41 56.387 -21.291 23.438 1.00 0.00 C ATOM 624 C ILE A 41 57.467 -22.378 23.226 1.00 0.00 C ATOM 625 O ILE A 41 58.307 -22.617 24.098 1.00 0.00 O ATOM 626 CB ILE A 41 57.037 -19.869 23.443 1.00 0.00 C ATOM 627 CG1 ILE A 41 55.967 -18.761 23.721 1.00 0.00 C ATOM 628 CG2 ILE A 41 57.771 -19.606 22.112 1.00 0.00 C ATOM 629 CD1 ILE A 41 56.483 -17.335 23.643 1.00 0.00 C ATOM 0 H ILE A 41 56.078 -21.099 25.499 1.00 0.00 H new ATOM 0 HA ILE A 41 55.674 -21.324 22.614 1.00 0.00 H new ATOM 0 HB ILE A 41 57.768 -19.833 24.250 1.00 0.00 H new ATOM 0 HG12 ILE A 41 55.153 -18.876 23.006 1.00 0.00 H new ATOM 0 HG13 ILE A 41 55.546 -18.925 24.713 1.00 0.00 H new ATOM 0 HG21 ILE A 41 58.217 -18.612 22.133 1.00 0.00 H new ATOM 0 HG22 ILE A 41 58.553 -20.352 21.974 1.00 0.00 H new ATOM 0 HG23 ILE A 41 57.061 -19.668 21.287 1.00 0.00 H new ATOM 0 HD11 ILE A 41 55.668 -16.641 23.850 1.00 0.00 H new ATOM 0 HD12 ILE A 41 57.275 -17.194 24.378 1.00 0.00 H new ATOM 0 HD13 ILE A 41 56.876 -17.145 22.644 1.00 0.00 H new ATOM 641 N ILE A 42 57.398 -23.030 22.060 1.00 0.00 N ATOM 642 CA ILE A 42 58.294 -24.114 21.645 1.00 0.00 C ATOM 643 C ILE A 42 59.593 -23.518 21.090 1.00 0.00 C ATOM 644 O ILE A 42 59.576 -22.791 20.096 1.00 0.00 O ATOM 645 CB ILE A 42 57.603 -25.020 20.547 1.00 0.00 C ATOM 646 CG1 ILE A 42 56.445 -25.890 21.127 1.00 0.00 C ATOM 647 CG2 ILE A 42 58.618 -25.928 19.810 1.00 0.00 C ATOM 648 CD1 ILE A 42 55.372 -25.153 21.900 1.00 0.00 C ATOM 0 H ILE A 42 56.693 -22.810 21.356 1.00 0.00 H new ATOM 0 HA ILE A 42 58.519 -24.736 22.511 1.00 0.00 H new ATOM 0 HB ILE A 42 57.176 -24.322 19.827 1.00 0.00 H new ATOM 0 HG12 ILE A 42 55.969 -26.419 20.302 1.00 0.00 H new ATOM 0 HG13 ILE A 42 56.880 -26.645 21.782 1.00 0.00 H new ATOM 0 HG21 ILE A 42 58.095 -26.530 19.067 1.00 0.00 H new ATOM 0 HG22 ILE A 42 59.367 -25.310 19.315 1.00 0.00 H new ATOM 0 HG23 ILE A 42 59.108 -26.584 20.529 1.00 0.00 H new ATOM 0 HD11 ILE A 42 54.624 -25.864 22.252 1.00 0.00 H new ATOM 0 HD12 ILE A 42 55.822 -24.647 22.754 1.00 0.00 H new ATOM 0 HD13 ILE A 42 54.897 -24.417 21.251 1.00 0.00 H new ATOM 660 N ASP A 43 60.699 -23.862 21.741 1.00 0.00 N ATOM 661 CA ASP A 43 62.048 -23.486 21.333 1.00 0.00 C ATOM 662 C ASP A 43 62.619 -24.667 20.527 1.00 0.00 C ATOM 663 O ASP A 43 62.867 -25.751 21.087 1.00 0.00 O ATOM 664 CB ASP A 43 62.910 -23.172 22.581 1.00 0.00 C ATOM 665 CG ASP A 43 64.270 -22.546 22.231 1.00 0.00 C ATOM 666 OD1 ASP A 43 65.251 -23.296 22.027 1.00 0.00 O ATOM 667 OD2 ASP A 43 64.368 -21.300 22.175 1.00 0.00 O ATOM 0 H ASP A 43 60.681 -24.426 22.591 1.00 0.00 H new ATOM 0 HA ASP A 43 62.045 -22.586 20.718 1.00 0.00 H new ATOM 0 HB2 ASP A 43 62.361 -22.493 23.233 1.00 0.00 H new ATOM 0 HB3 ASP A 43 63.074 -24.091 23.143 1.00 0.00 H new ATOM 672 N HIS A 44 62.760 -24.453 19.210 1.00 0.00 N ATOM 673 CA HIS A 44 63.169 -25.490 18.249 1.00 0.00 C ATOM 674 C HIS A 44 63.582 -24.835 16.915 1.00 0.00 C ATOM 675 O HIS A 44 63.050 -23.775 16.563 1.00 0.00 O ATOM 676 CB HIS A 44 61.991 -26.472 18.007 1.00 0.00 C ATOM 677 CG HIS A 44 62.307 -27.597 17.051 1.00 0.00 C ATOM 678 ND1 HIS A 44 61.804 -27.669 15.768 1.00 0.00 N ATOM 679 CD2 HIS A 44 63.091 -28.689 17.196 1.00 0.00 C ATOM 680 CE1 HIS A 44 62.270 -28.752 15.174 1.00 0.00 C ATOM 681 NE2 HIS A 44 63.054 -29.382 16.019 1.00 0.00 N ATOM 0 H HIS A 44 62.591 -23.545 18.777 1.00 0.00 H new ATOM 0 HA HIS A 44 64.019 -26.039 18.655 1.00 0.00 H new ATOM 0 HB2 HIS A 44 61.686 -26.898 18.963 1.00 0.00 H new ATOM 0 HB3 HIS A 44 61.139 -25.912 17.621 1.00 0.00 H new ATOM 0 HD1 HIS A 44 61.171 -26.991 15.344 1.00 0.00 H new ATOM 0 HD2 HIS A 44 63.646 -28.964 18.081 1.00 0.00 H new ATOM 0 HE1 HIS A 44 62.045 -29.066 14.166 1.00 0.00 H new ATOM 690 N ASN A 45 64.554 -25.471 16.207 1.00 0.00 N ATOM 691 CA ASN A 45 64.958 -25.109 14.827 1.00 0.00 C ATOM 692 C ASN A 45 65.683 -23.729 14.797 1.00 0.00 C ATOM 693 O ASN A 45 65.759 -23.055 13.762 1.00 0.00 O ATOM 694 CB ASN A 45 63.706 -25.180 13.885 1.00 0.00 C ATOM 695 CG ASN A 45 63.999 -25.000 12.386 1.00 0.00 C ATOM 696 OD1 ASN A 45 64.309 -25.955 11.678 1.00 0.00 O ATOM 697 ND2 ASN A 45 63.891 -23.778 11.893 1.00 0.00 N ATOM 0 H ASN A 45 65.083 -26.257 16.585 1.00 0.00 H new ATOM 0 HA ASN A 45 65.688 -25.827 14.452 1.00 0.00 H new ATOM 0 HB2 ASN A 45 63.218 -26.144 14.030 1.00 0.00 H new ATOM 0 HB3 ASN A 45 62.996 -24.413 14.194 1.00 0.00 H new ATOM 0 HD21 ASN A 45 64.067 -23.610 10.902 1.00 0.00 H new ATOM 0 HD22 ASN A 45 63.632 -23.003 12.503 1.00 0.00 H new ATOM 704 N GLY A 46 66.257 -23.336 15.950 1.00 0.00 N ATOM 705 CA GLY A 46 66.875 -22.008 16.107 1.00 0.00 C ATOM 706 C GLY A 46 65.832 -20.890 16.109 1.00 0.00 C ATOM 707 O GLY A 46 66.137 -19.744 15.776 1.00 0.00 O ATOM 0 H GLY A 46 66.305 -23.920 16.785 1.00 0.00 H new ATOM 0 HA2 GLY A 46 67.440 -21.979 17.038 1.00 0.00 H new ATOM 0 HA3 GLY A 46 67.585 -21.840 15.297 1.00 0.00 H new ATOM 711 N GLN A 47 64.584 -21.257 16.482 1.00 0.00 N ATOM 712 CA GLN A 47 63.404 -20.368 16.472 1.00 0.00 C ATOM 713 C GLN A 47 62.568 -20.610 17.741 1.00 0.00 C ATOM 714 O GLN A 47 62.888 -21.482 18.571 1.00 0.00 O ATOM 715 CB GLN A 47 62.521 -20.649 15.211 1.00 0.00 C ATOM 716 CG GLN A 47 63.190 -20.344 13.855 1.00 0.00 C ATOM 717 CD GLN A 47 62.304 -20.679 12.651 1.00 0.00 C ATOM 718 OE1 GLN A 47 61.070 -20.644 12.736 1.00 0.00 O ATOM 719 NE2 GLN A 47 62.923 -20.980 11.516 1.00 0.00 N ATOM 0 H GLN A 47 64.367 -22.200 16.805 1.00 0.00 H new ATOM 0 HA GLN A 47 63.745 -19.333 16.444 1.00 0.00 H new ATOM 0 HB2 GLN A 47 62.224 -21.698 15.223 1.00 0.00 H new ATOM 0 HB3 GLN A 47 61.608 -20.058 15.288 1.00 0.00 H new ATOM 0 HG2 GLN A 47 63.456 -19.287 13.819 1.00 0.00 H new ATOM 0 HG3 GLN A 47 64.119 -20.909 13.781 1.00 0.00 H new ATOM 0 HE21 GLN A 47 63.942 -21.000 11.481 1.00 0.00 H new ATOM 0 HE22 GLN A 47 62.379 -21.191 10.679 1.00 0.00 H new ATOM 728 N GLU A 48 61.489 -19.835 17.876 1.00 0.00 N ATOM 729 CA GLU A 48 60.452 -20.049 18.895 1.00 0.00 C ATOM 730 C GLU A 48 59.060 -19.924 18.227 1.00 0.00 C ATOM 731 O GLU A 48 58.926 -19.218 17.221 1.00 0.00 O ATOM 732 CB GLU A 48 60.615 -19.032 20.055 1.00 0.00 C ATOM 733 CG GLU A 48 60.351 -17.564 19.678 1.00 0.00 C ATOM 734 CD GLU A 48 60.386 -16.627 20.894 1.00 0.00 C ATOM 735 OE1 GLU A 48 61.493 -16.293 21.368 1.00 0.00 O ATOM 736 OE2 GLU A 48 59.309 -16.209 21.374 1.00 0.00 O ATOM 0 H GLU A 48 61.306 -19.031 17.275 1.00 0.00 H new ATOM 0 HA GLU A 48 60.551 -21.047 19.322 1.00 0.00 H new ATOM 0 HB2 GLU A 48 59.936 -19.312 20.861 1.00 0.00 H new ATOM 0 HB3 GLU A 48 61.628 -19.113 20.449 1.00 0.00 H new ATOM 0 HG2 GLU A 48 61.097 -17.239 18.952 1.00 0.00 H new ATOM 0 HG3 GLU A 48 59.378 -17.487 19.192 1.00 0.00 H new ATOM 743 N TYR A 49 58.054 -20.663 18.749 1.00 0.00 N ATOM 744 CA TYR A 49 56.646 -20.596 18.263 1.00 0.00 C ATOM 745 C TYR A 49 55.660 -21.113 19.336 1.00 0.00 C ATOM 746 O TYR A 49 55.785 -22.244 19.802 1.00 0.00 O ATOM 747 CB TYR A 49 56.450 -21.348 16.902 1.00 0.00 C ATOM 748 CG TYR A 49 57.231 -22.663 16.693 1.00 0.00 C ATOM 749 CD1 TYR A 49 58.535 -22.670 16.167 1.00 0.00 C ATOM 750 CD2 TYR A 49 56.649 -23.894 16.981 1.00 0.00 C ATOM 751 CE1 TYR A 49 59.214 -23.850 15.950 1.00 0.00 C ATOM 752 CE2 TYR A 49 57.321 -25.069 16.757 1.00 0.00 C ATOM 753 CZ TYR A 49 58.602 -25.045 16.246 1.00 0.00 C ATOM 754 OH TYR A 49 59.271 -26.226 16.028 1.00 0.00 O ATOM 0 H TYR A 49 58.189 -21.322 19.516 1.00 0.00 H new ATOM 0 HA TYR A 49 56.424 -19.545 18.078 1.00 0.00 H new ATOM 0 HB2 TYR A 49 55.388 -21.566 16.789 1.00 0.00 H new ATOM 0 HB3 TYR A 49 56.722 -20.664 16.098 1.00 0.00 H new ATOM 0 HD1 TYR A 49 59.014 -21.732 15.928 1.00 0.00 H new ATOM 0 HD2 TYR A 49 55.649 -23.925 17.389 1.00 0.00 H new ATOM 0 HE1 TYR A 49 60.218 -23.836 15.551 1.00 0.00 H new ATOM 0 HE2 TYR A 49 56.847 -26.013 16.981 1.00 0.00 H new ATOM 0 HH TYR A 49 58.700 -26.978 16.290 1.00 0.00 H new ATOM 764 N LEU A 50 54.655 -20.270 19.677 1.00 0.00 N ATOM 765 CA LEU A 50 53.700 -20.516 20.788 1.00 0.00 C ATOM 766 C LEU A 50 52.675 -21.587 20.369 1.00 0.00 C ATOM 767 O LEU A 50 51.908 -21.380 19.433 1.00 0.00 O ATOM 768 CB LEU A 50 53.022 -19.150 21.190 1.00 0.00 C ATOM 769 CG LEU A 50 51.896 -19.090 22.321 1.00 0.00 C ATOM 770 CD1 LEU A 50 50.500 -19.553 21.826 1.00 0.00 C ATOM 771 CD2 LEU A 50 52.315 -19.852 23.601 1.00 0.00 C ATOM 0 H LEU A 50 54.482 -19.393 19.186 1.00 0.00 H new ATOM 0 HA LEU A 50 54.219 -20.902 21.665 1.00 0.00 H new ATOM 0 HB2 LEU A 50 53.821 -18.476 21.500 1.00 0.00 H new ATOM 0 HB3 LEU A 50 52.586 -18.732 20.283 1.00 0.00 H new ATOM 0 HG LEU A 50 51.799 -18.035 22.576 1.00 0.00 H new ATOM 0 HD11 LEU A 50 49.783 -19.487 22.645 1.00 0.00 H new ATOM 0 HD12 LEU A 50 50.174 -18.913 21.006 1.00 0.00 H new ATOM 0 HD13 LEU A 50 50.561 -20.585 21.479 1.00 0.00 H new ATOM 0 HD21 LEU A 50 51.519 -19.784 24.342 1.00 0.00 H new ATOM 0 HD22 LEU A 50 52.496 -20.899 23.358 1.00 0.00 H new ATOM 0 HD23 LEU A 50 53.226 -19.410 24.006 1.00 0.00 H new ATOM 783 N LEU A 51 52.689 -22.736 21.055 1.00 0.00 N ATOM 784 CA LEU A 51 51.639 -23.759 20.939 1.00 0.00 C ATOM 785 C LEU A 51 50.854 -23.772 22.238 1.00 0.00 C ATOM 786 O LEU A 51 51.431 -23.931 23.325 1.00 0.00 O ATOM 787 CB LEU A 51 52.218 -25.167 20.648 1.00 0.00 C ATOM 788 CG LEU A 51 51.188 -26.342 20.523 1.00 0.00 C ATOM 789 CD1 LEU A 51 50.156 -26.072 19.406 1.00 0.00 C ATOM 790 CD2 LEU A 51 51.907 -27.700 20.309 1.00 0.00 C ATOM 0 H LEU A 51 53.431 -22.985 21.709 1.00 0.00 H new ATOM 0 HA LEU A 51 50.995 -23.509 20.096 1.00 0.00 H new ATOM 0 HB2 LEU A 51 52.788 -25.115 19.721 1.00 0.00 H new ATOM 0 HB3 LEU A 51 52.922 -25.416 21.442 1.00 0.00 H new ATOM 0 HG LEU A 51 50.643 -26.401 21.465 1.00 0.00 H new ATOM 0 HD11 LEU A 51 49.457 -26.906 19.347 1.00 0.00 H new ATOM 0 HD12 LEU A 51 49.609 -25.156 19.630 1.00 0.00 H new ATOM 0 HD13 LEU A 51 50.672 -25.963 18.452 1.00 0.00 H new ATOM 0 HD21 LEU A 51 51.166 -28.495 20.226 1.00 0.00 H new ATOM 0 HD22 LEU A 51 52.498 -27.658 19.394 1.00 0.00 H new ATOM 0 HD23 LEU A 51 52.563 -27.902 21.156 1.00 0.00 H new ATOM 802 N ARG A 52 49.541 -23.593 22.127 1.00 0.00 N ATOM 803 CA ARG A 52 48.655 -23.575 23.285 1.00 0.00 C ATOM 804 C ARG A 52 47.464 -24.511 23.079 1.00 0.00 C ATOM 805 O ARG A 52 47.042 -24.763 21.948 1.00 0.00 O ATOM 806 CB ARG A 52 48.151 -22.144 23.565 1.00 0.00 C ATOM 807 CG ARG A 52 47.285 -21.527 22.439 1.00 0.00 C ATOM 808 CD ARG A 52 46.282 -20.503 22.967 1.00 0.00 C ATOM 809 NE ARG A 52 45.393 -21.106 23.983 1.00 0.00 N ATOM 810 CZ ARG A 52 44.575 -20.428 24.798 1.00 0.00 C ATOM 811 NH1 ARG A 52 44.441 -19.109 24.696 1.00 0.00 N ATOM 812 NH2 ARG A 52 43.854 -21.090 25.690 1.00 0.00 N ATOM 0 H ARG A 52 49.064 -23.457 21.236 1.00 0.00 H new ATOM 0 HA ARG A 52 49.228 -23.923 24.144 1.00 0.00 H new ATOM 0 HB2 ARG A 52 47.570 -22.153 24.487 1.00 0.00 H new ATOM 0 HB3 ARG A 52 49.012 -21.498 23.737 1.00 0.00 H new ATOM 0 HG2 ARG A 52 47.935 -21.050 21.706 1.00 0.00 H new ATOM 0 HG3 ARG A 52 46.749 -22.322 21.920 1.00 0.00 H new ATOM 0 HD2 ARG A 52 46.815 -19.657 23.401 1.00 0.00 H new ATOM 0 HD3 ARG A 52 45.686 -20.114 22.142 1.00 0.00 H new ATOM 0 HE ARG A 52 45.404 -22.122 24.070 1.00 0.00 H new ATOM 0 HH11 ARG A 52 44.966 -18.596 23.988 1.00 0.00 H new ATOM 0 HH12 ARG A 52 43.813 -18.610 25.326 1.00 0.00 H new ATOM 0 HH21 ARG A 52 43.925 -22.106 25.751 1.00 0.00 H new ATOM 0 HH22 ARG A 52 43.227 -20.584 26.316 1.00 0.00 H new ATOM 826 N LYS A 53 46.934 -25.019 24.193 1.00 0.00 N ATOM 827 CA LYS A 53 45.659 -25.740 24.226 1.00 0.00 C ATOM 828 C LYS A 53 44.539 -24.726 24.488 1.00 0.00 C ATOM 829 O LYS A 53 44.465 -24.133 25.576 1.00 0.00 O ATOM 830 CB LYS A 53 45.691 -26.867 25.302 1.00 0.00 C ATOM 831 CG LYS A 53 46.746 -27.964 25.012 1.00 0.00 C ATOM 832 CD LYS A 53 46.810 -29.093 26.074 1.00 0.00 C ATOM 833 CE LYS A 53 45.655 -30.116 25.973 1.00 0.00 C ATOM 834 NZ LYS A 53 44.341 -29.556 26.384 1.00 0.00 N ATOM 0 H LYS A 53 47.381 -24.941 25.106 1.00 0.00 H new ATOM 0 HA LYS A 53 45.476 -26.230 23.270 1.00 0.00 H new ATOM 0 HB2 LYS A 53 45.897 -26.423 26.276 1.00 0.00 H new ATOM 0 HB3 LYS A 53 44.705 -27.328 25.364 1.00 0.00 H new ATOM 0 HG2 LYS A 53 46.531 -28.409 24.040 1.00 0.00 H new ATOM 0 HG3 LYS A 53 47.728 -27.496 24.939 1.00 0.00 H new ATOM 0 HD2 LYS A 53 47.759 -29.620 25.973 1.00 0.00 H new ATOM 0 HD3 LYS A 53 46.799 -28.645 27.067 1.00 0.00 H new ATOM 0 HE2 LYS A 53 45.585 -30.475 24.946 1.00 0.00 H new ATOM 0 HE3 LYS A 53 45.887 -30.979 26.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 43.796 -30.284 26.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 44.492 -28.741 27.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 43.815 -29.251 25.541 1.00 0.00 H new ATOM 848 N THR A 54 43.737 -24.460 23.446 1.00 0.00 N ATOM 849 CA THR A 54 42.541 -23.623 23.548 1.00 0.00 C ATOM 850 C THR A 54 41.464 -24.428 24.313 1.00 0.00 C ATOM 851 O THR A 54 41.297 -25.634 24.041 1.00 0.00 O ATOM 852 CB THR A 54 42.013 -23.197 22.128 1.00 0.00 C ATOM 853 OG1 THR A 54 41.412 -24.310 21.444 1.00 0.00 O ATOM 854 CG2 THR A 54 43.140 -22.622 21.245 1.00 0.00 C ATOM 0 H THR A 54 43.904 -24.823 22.507 1.00 0.00 H new ATOM 0 HA THR A 54 42.781 -22.704 24.082 1.00 0.00 H new ATOM 0 HB THR A 54 41.265 -22.422 22.296 1.00 0.00 H new ATOM 0 HG1 THR A 54 40.822 -23.978 20.736 1.00 0.00 H new ATOM 0 HG21 THR A 54 42.733 -22.340 20.274 1.00 0.00 H new ATOM 0 HG22 THR A 54 43.568 -21.744 21.728 1.00 0.00 H new ATOM 0 HG23 THR A 54 43.916 -23.375 21.109 1.00 0.00 H new ATOM 862 N GLN A 55 40.760 -23.761 25.257 1.00 0.00 N ATOM 863 CA GLN A 55 39.776 -24.401 26.176 1.00 0.00 C ATOM 864 C GLN A 55 38.611 -25.073 25.410 1.00 0.00 C ATOM 865 O GLN A 55 38.019 -26.046 25.891 1.00 0.00 O ATOM 866 CB GLN A 55 39.225 -23.352 27.184 1.00 0.00 C ATOM 867 CG GLN A 55 38.240 -23.919 28.236 1.00 0.00 C ATOM 868 CD GLN A 55 37.725 -22.859 29.206 1.00 0.00 C ATOM 869 OE1 GLN A 55 36.706 -22.211 28.954 1.00 0.00 O ATOM 870 NE2 GLN A 55 38.429 -22.650 30.306 1.00 0.00 N ATOM 0 H GLN A 55 40.856 -22.757 25.407 1.00 0.00 H new ATOM 0 HA GLN A 55 40.300 -25.187 26.720 1.00 0.00 H new ATOM 0 HB2 GLN A 55 40.065 -22.892 27.704 1.00 0.00 H new ATOM 0 HB3 GLN A 55 38.724 -22.561 26.626 1.00 0.00 H new ATOM 0 HG2 GLN A 55 37.393 -24.376 27.723 1.00 0.00 H new ATOM 0 HG3 GLN A 55 38.735 -24.709 28.800 1.00 0.00 H new ATOM 0 HE21 GLN A 55 39.268 -23.202 30.487 1.00 0.00 H new ATOM 0 HE22 GLN A 55 38.133 -21.937 30.973 1.00 0.00 H new ATOM 879 N ALA A 56 38.316 -24.545 24.201 1.00 0.00 N ATOM 880 CA ALA A 56 37.308 -25.106 23.271 1.00 0.00 C ATOM 881 C ALA A 56 37.627 -26.570 22.883 1.00 0.00 C ATOM 882 O ALA A 56 36.739 -27.330 22.461 1.00 0.00 O ATOM 883 CB ALA A 56 37.232 -24.225 22.016 1.00 0.00 C ATOM 0 H ALA A 56 38.775 -23.709 23.839 1.00 0.00 H new ATOM 0 HA ALA A 56 36.343 -25.114 23.779 1.00 0.00 H new ATOM 0 HB1 ALA A 56 36.491 -24.634 21.329 1.00 0.00 H new ATOM 0 HB2 ALA A 56 36.944 -23.213 22.299 1.00 0.00 H new ATOM 0 HB3 ALA A 56 38.206 -24.202 21.528 1.00 0.00 H new ATOM 889 N GLY A 57 38.915 -26.938 23.016 1.00 0.00 N ATOM 890 CA GLY A 57 39.382 -28.312 22.860 1.00 0.00 C ATOM 891 C GLY A 57 40.278 -28.489 21.653 1.00 0.00 C ATOM 892 O GLY A 57 40.181 -29.498 20.947 1.00 0.00 O ATOM 0 H GLY A 57 39.661 -26.278 23.237 1.00 0.00 H new ATOM 0 HA2 GLY A 57 39.924 -28.612 23.757 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.522 -28.976 22.770 1.00 0.00 H new ATOM 896 N LYS A 58 41.181 -27.516 21.423 1.00 0.00 N ATOM 897 CA LYS A 58 42.084 -27.527 20.238 1.00 0.00 C ATOM 898 C LYS A 58 43.518 -27.129 20.611 1.00 0.00 C ATOM 899 O LYS A 58 43.799 -26.739 21.742 1.00 0.00 O ATOM 900 CB LYS A 58 41.564 -26.571 19.128 1.00 0.00 C ATOM 901 CG LYS A 58 40.192 -26.939 18.526 1.00 0.00 C ATOM 902 CD LYS A 58 39.721 -25.925 17.459 1.00 0.00 C ATOM 903 CE LYS A 58 39.596 -24.493 18.011 1.00 0.00 C ATOM 904 NZ LYS A 58 39.159 -23.537 16.967 1.00 0.00 N ATOM 0 H LYS A 58 41.310 -26.711 22.036 1.00 0.00 H new ATOM 0 HA LYS A 58 42.091 -28.550 19.862 1.00 0.00 H new ATOM 0 HB2 LYS A 58 41.503 -25.564 19.540 1.00 0.00 H new ATOM 0 HB3 LYS A 58 42.299 -26.542 18.323 1.00 0.00 H new ATOM 0 HG2 LYS A 58 40.250 -27.931 18.079 1.00 0.00 H new ATOM 0 HG3 LYS A 58 39.451 -26.992 19.324 1.00 0.00 H new ATOM 0 HD2 LYS A 58 40.424 -25.928 16.626 1.00 0.00 H new ATOM 0 HD3 LYS A 58 38.756 -26.243 17.063 1.00 0.00 H new ATOM 0 HE2 LYS A 58 38.883 -24.482 18.835 1.00 0.00 H new ATOM 0 HE3 LYS A 58 40.556 -24.175 18.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 39.087 -22.584 17.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 39.852 -23.528 16.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 38.231 -23.826 16.598 1.00 0.00 H new ATOM 918 N LEU A 59 44.412 -27.268 19.621 1.00 0.00 N ATOM 919 CA LEU A 59 45.789 -26.755 19.661 1.00 0.00 C ATOM 920 C LEU A 59 45.900 -25.534 18.732 1.00 0.00 C ATOM 921 O LEU A 59 45.208 -25.458 17.710 1.00 0.00 O ATOM 922 CB LEU A 59 46.782 -27.873 19.244 1.00 0.00 C ATOM 923 CG LEU A 59 46.989 -29.015 20.289 1.00 0.00 C ATOM 924 CD1 LEU A 59 47.829 -30.172 19.706 1.00 0.00 C ATOM 925 CD2 LEU A 59 47.630 -28.463 21.580 1.00 0.00 C ATOM 0 H LEU A 59 44.192 -27.752 18.750 1.00 0.00 H new ATOM 0 HA LEU A 59 46.042 -26.445 20.675 1.00 0.00 H new ATOM 0 HB2 LEU A 59 46.431 -28.317 18.312 1.00 0.00 H new ATOM 0 HB3 LEU A 59 47.749 -27.416 19.035 1.00 0.00 H new ATOM 0 HG LEU A 59 46.008 -29.418 20.539 1.00 0.00 H new ATOM 0 HD11 LEU A 59 47.953 -30.948 20.461 1.00 0.00 H new ATOM 0 HD12 LEU A 59 47.320 -30.589 18.837 1.00 0.00 H new ATOM 0 HD13 LEU A 59 48.808 -29.797 19.408 1.00 0.00 H new ATOM 0 HD21 LEU A 59 47.766 -29.275 22.295 1.00 0.00 H new ATOM 0 HD22 LEU A 59 48.598 -28.021 21.345 1.00 0.00 H new ATOM 0 HD23 LEU A 59 46.980 -27.703 22.013 1.00 0.00 H new ATOM 937 N LEU A 60 46.775 -24.584 19.095 1.00 0.00 N ATOM 938 CA LEU A 60 46.950 -23.325 18.358 1.00 0.00 C ATOM 939 C LEU A 60 48.456 -23.010 18.260 1.00 0.00 C ATOM 940 O LEU A 60 49.066 -22.562 19.242 1.00 0.00 O ATOM 941 CB LEU A 60 46.197 -22.179 19.081 1.00 0.00 C ATOM 942 CG LEU A 60 45.948 -20.877 18.263 1.00 0.00 C ATOM 943 CD1 LEU A 60 44.863 -21.093 17.187 1.00 0.00 C ATOM 944 CD2 LEU A 60 45.585 -19.704 19.197 1.00 0.00 C ATOM 0 H LEU A 60 47.382 -24.668 19.910 1.00 0.00 H new ATOM 0 HA LEU A 60 46.537 -23.421 17.354 1.00 0.00 H new ATOM 0 HB2 LEU A 60 45.232 -22.562 19.412 1.00 0.00 H new ATOM 0 HB3 LEU A 60 46.759 -21.915 19.977 1.00 0.00 H new ATOM 0 HG LEU A 60 46.874 -20.621 17.748 1.00 0.00 H new ATOM 0 HD11 LEU A 60 44.711 -20.167 16.632 1.00 0.00 H new ATOM 0 HD12 LEU A 60 45.182 -21.878 16.502 1.00 0.00 H new ATOM 0 HD13 LEU A 60 43.929 -21.386 17.666 1.00 0.00 H new ATOM 0 HD21 LEU A 60 45.416 -18.805 18.604 1.00 0.00 H new ATOM 0 HD22 LEU A 60 44.680 -19.948 19.753 1.00 0.00 H new ATOM 0 HD23 LEU A 60 46.403 -19.529 19.896 1.00 0.00 H new ATOM 956 N LEU A 61 49.052 -23.328 17.098 1.00 0.00 N ATOM 957 CA LEU A 61 50.472 -23.056 16.786 1.00 0.00 C ATOM 958 C LEU A 61 50.541 -21.655 16.146 1.00 0.00 C ATOM 959 O LEU A 61 49.888 -21.412 15.122 1.00 0.00 O ATOM 960 CB LEU A 61 51.022 -24.164 15.820 1.00 0.00 C ATOM 961 CG LEU A 61 52.588 -24.371 15.738 1.00 0.00 C ATOM 962 CD1 LEU A 61 53.346 -23.148 15.152 1.00 0.00 C ATOM 963 CD2 LEU A 61 53.151 -24.775 17.120 1.00 0.00 C ATOM 0 H LEU A 61 48.556 -23.789 16.335 1.00 0.00 H new ATOM 0 HA LEU A 61 51.090 -23.077 17.683 1.00 0.00 H new ATOM 0 HB2 LEU A 61 50.575 -25.114 16.113 1.00 0.00 H new ATOM 0 HB3 LEU A 61 50.662 -23.939 14.816 1.00 0.00 H new ATOM 0 HG LEU A 61 52.759 -25.185 15.033 1.00 0.00 H new ATOM 0 HD11 LEU A 61 54.415 -23.361 15.126 1.00 0.00 H new ATOM 0 HD12 LEU A 61 52.990 -22.950 14.141 1.00 0.00 H new ATOM 0 HD13 LEU A 61 53.165 -22.274 15.778 1.00 0.00 H new ATOM 0 HD21 LEU A 61 54.230 -24.914 17.047 1.00 0.00 H new ATOM 0 HD22 LEU A 61 52.934 -23.990 17.845 1.00 0.00 H new ATOM 0 HD23 LEU A 61 52.687 -25.706 17.444 1.00 0.00 H new ATOM 975 N THR A 62 51.328 -20.744 16.747 1.00 0.00 N ATOM 976 CA THR A 62 51.407 -19.334 16.331 1.00 0.00 C ATOM 977 C THR A 62 52.884 -18.885 16.285 1.00 0.00 C ATOM 978 O THR A 62 53.645 -19.145 17.220 1.00 0.00 O ATOM 979 CB THR A 62 50.601 -18.403 17.311 1.00 0.00 C ATOM 980 OG1 THR A 62 51.146 -18.507 18.636 1.00 0.00 O ATOM 981 CG2 THR A 62 49.094 -18.744 17.363 1.00 0.00 C ATOM 0 H THR A 62 51.930 -20.968 17.539 1.00 0.00 H new ATOM 0 HA THR A 62 50.964 -19.248 15.339 1.00 0.00 H new ATOM 0 HB THR A 62 50.697 -17.387 16.928 1.00 0.00 H new ATOM 0 HG1 THR A 62 51.231 -19.452 18.881 1.00 0.00 H new ATOM 0 HG21 THR A 62 48.592 -18.068 18.055 1.00 0.00 H new ATOM 0 HG22 THR A 62 48.661 -18.632 16.369 1.00 0.00 H new ATOM 0 HG23 THR A 62 48.965 -19.772 17.702 1.00 0.00 H new ATOM 989 N LYS A 63 53.269 -18.240 15.176 1.00 0.00 N ATOM 990 CA LYS A 63 54.560 -17.546 15.026 1.00 0.00 C ATOM 991 C LYS A 63 54.394 -16.081 15.499 1.00 0.00 C ATOM 992 O LYS A 63 54.808 -15.754 16.627 1.00 0.00 O ATOM 993 CB LYS A 63 55.056 -17.601 13.542 1.00 0.00 C ATOM 994 CG LYS A 63 55.514 -18.997 13.053 1.00 0.00 C ATOM 995 CD LYS A 63 56.791 -19.510 13.768 1.00 0.00 C ATOM 996 CE LYS A 63 58.024 -18.608 13.554 1.00 0.00 C ATOM 997 NZ LYS A 63 59.212 -19.105 14.303 1.00 0.00 N ATOM 998 OXT LYS A 63 53.796 -15.275 14.760 1.00 0.00 O ATOM 0 H LYS A 63 52.684 -18.183 14.342 1.00 0.00 H new ATOM 0 HA LYS A 63 55.313 -18.043 15.637 1.00 0.00 H new ATOM 0 HB2 LYS A 63 54.252 -17.252 12.894 1.00 0.00 H new ATOM 0 HB3 LYS A 63 55.885 -16.903 13.426 1.00 0.00 H new ATOM 0 HG2 LYS A 63 54.706 -19.712 13.210 1.00 0.00 H new ATOM 0 HG3 LYS A 63 55.699 -18.955 11.980 1.00 0.00 H new ATOM 0 HD2 LYS A 63 56.591 -19.590 14.837 1.00 0.00 H new ATOM 0 HD3 LYS A 63 57.019 -20.514 13.410 1.00 0.00 H new ATOM 0 HE2 LYS A 63 58.259 -18.560 12.491 1.00 0.00 H new ATOM 0 HE3 LYS A 63 57.791 -17.593 13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 59.817 -18.301 14.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 58.899 -19.599 15.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 59.751 -19.762 13.703 1.00 0.00 H new