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 30 SER OG : rot 169:sc= -0.0543 USER MOD Set 1.2: A 44 HIS : no HD1:sc= 0.0222 X(o=-0.032,f=-0.089) USER MOD Set 1.3: A 45 ASN : amide:sc= 0 X(o=-0.032,f=-0.089) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= 0.469 (180deg=0.293) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 15:sc= -0.474 USER MOD Single : A 53 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00132) USER MOD Single : A 54 THR OG1 : rot 158:sc= -0.45 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0841 USER MOD Single : A 63 LYS NZ :NH3+ -118:sc= -0.199 (180deg=-0.924) USER MOD ----------------------------------------------------------------- ATOM 355 N ALA A 23 50.144 -16.449 25.900 1.00 0.00 N ATOM 356 CA ALA A 23 49.734 -17.568 26.777 1.00 0.00 C ATOM 357 C ALA A 23 50.832 -17.912 27.805 1.00 0.00 C ATOM 358 O ALA A 23 50.539 -18.299 28.937 1.00 0.00 O ATOM 359 CB ALA A 23 49.373 -18.792 25.925 1.00 0.00 C ATOM 0 HA ALA A 23 48.853 -17.259 27.340 1.00 0.00 H new ATOM 0 HB1 ALA A 23 49.072 -19.613 26.576 1.00 0.00 H new ATOM 0 HB2 ALA A 23 48.551 -18.540 25.256 1.00 0.00 H new ATOM 0 HB3 ALA A 23 50.240 -19.095 25.337 1.00 0.00 H new ATOM 365 N ALA A 24 52.088 -17.764 27.360 1.00 0.00 N ATOM 366 CA ALA A 24 53.293 -17.856 28.200 1.00 0.00 C ATOM 367 C ALA A 24 54.480 -17.255 27.436 1.00 0.00 C ATOM 368 O ALA A 24 54.440 -17.159 26.198 1.00 0.00 O ATOM 369 CB ALA A 24 53.597 -19.311 28.585 1.00 0.00 C ATOM 0 H ALA A 24 52.300 -17.572 26.381 1.00 0.00 H new ATOM 0 HA ALA A 24 53.121 -17.300 29.122 1.00 0.00 H new ATOM 0 HB1 ALA A 24 54.493 -19.344 29.205 1.00 0.00 H new ATOM 0 HB2 ALA A 24 52.755 -19.724 29.141 1.00 0.00 H new ATOM 0 HB3 ALA A 24 53.759 -19.900 27.682 1.00 0.00 H new ATOM 375 N GLU A 25 55.539 -16.854 28.162 1.00 0.00 N ATOM 376 CA GLU A 25 56.815 -16.432 27.544 1.00 0.00 C ATOM 377 C GLU A 25 57.937 -17.434 27.916 1.00 0.00 C ATOM 378 O GLU A 25 59.133 -17.130 27.809 1.00 0.00 O ATOM 379 CB GLU A 25 57.176 -14.960 27.924 1.00 0.00 C ATOM 380 CG GLU A 25 57.562 -14.687 29.397 1.00 0.00 C ATOM 381 CD GLU A 25 56.412 -14.848 30.410 1.00 0.00 C ATOM 382 OE1 GLU A 25 55.515 -13.979 30.452 1.00 0.00 O ATOM 383 OE2 GLU A 25 56.401 -15.833 31.171 1.00 0.00 O ATOM 0 H GLU A 25 55.539 -16.812 29.181 1.00 0.00 H new ATOM 0 HA GLU A 25 56.704 -16.444 26.460 1.00 0.00 H new ATOM 0 HB2 GLU A 25 58.005 -14.641 27.292 1.00 0.00 H new ATOM 0 HB3 GLU A 25 56.324 -14.328 27.675 1.00 0.00 H new ATOM 0 HG2 GLU A 25 58.370 -15.363 29.677 1.00 0.00 H new ATOM 0 HG3 GLU A 25 57.954 -13.673 29.473 1.00 0.00 H new ATOM 390 N ARG A 26 57.511 -18.664 28.273 1.00 0.00 N ATOM 391 CA ARG A 26 58.407 -19.774 28.629 1.00 0.00 C ATOM 392 C ARG A 26 58.858 -20.522 27.355 1.00 0.00 C ATOM 393 O ARG A 26 58.078 -21.276 26.760 1.00 0.00 O ATOM 394 CB ARG A 26 57.676 -20.738 29.617 1.00 0.00 C ATOM 395 CG ARG A 26 58.450 -22.023 29.997 1.00 0.00 C ATOM 396 CD ARG A 26 59.808 -21.756 30.668 1.00 0.00 C ATOM 397 NE ARG A 26 59.678 -21.032 31.948 1.00 0.00 N ATOM 398 CZ ARG A 26 60.559 -21.079 32.966 1.00 0.00 C ATOM 399 NH1 ARG A 26 61.625 -21.870 32.928 1.00 0.00 N ATOM 400 NH2 ARG A 26 60.350 -20.347 34.040 1.00 0.00 N ATOM 0 H ARG A 26 56.523 -18.913 28.321 1.00 0.00 H new ATOM 0 HA ARG A 26 59.297 -19.382 29.121 1.00 0.00 H new ATOM 0 HB2 ARG A 26 57.450 -20.189 30.531 1.00 0.00 H new ATOM 0 HB3 ARG A 26 56.723 -21.028 29.175 1.00 0.00 H new ATOM 0 HG2 ARG A 26 57.835 -22.621 30.669 1.00 0.00 H new ATOM 0 HG3 ARG A 26 58.611 -22.618 29.098 1.00 0.00 H new ATOM 0 HD2 ARG A 26 60.316 -22.705 30.842 1.00 0.00 H new ATOM 0 HD3 ARG A 26 60.436 -21.178 29.990 1.00 0.00 H new ATOM 0 HE ARG A 26 58.852 -20.447 32.072 1.00 0.00 H new ATOM 0 HH11 ARG A 26 61.792 -22.461 32.114 1.00 0.00 H new ATOM 0 HH12 ARG A 26 62.276 -21.886 33.713 1.00 0.00 H new ATOM 0 HH21 ARG A 26 59.525 -19.749 34.097 1.00 0.00 H new ATOM 0 HH22 ARG A 26 61.013 -20.377 34.815 1.00 0.00 H new ATOM 414 N ARG A 27 60.107 -20.269 26.921 1.00 0.00 N ATOM 415 CA ARG A 27 60.735 -21.027 25.823 1.00 0.00 C ATOM 416 C ARG A 27 61.258 -22.374 26.364 1.00 0.00 C ATOM 417 O ARG A 27 62.224 -22.413 27.137 1.00 0.00 O ATOM 418 CB ARG A 27 61.899 -20.245 25.140 1.00 0.00 C ATOM 419 CG ARG A 27 61.500 -19.053 24.234 1.00 0.00 C ATOM 420 CD ARG A 27 60.946 -17.843 25.000 1.00 0.00 C ATOM 421 NE ARG A 27 60.723 -16.699 24.101 1.00 0.00 N ATOM 422 CZ ARG A 27 60.236 -15.502 24.462 1.00 0.00 C ATOM 423 NH1 ARG A 27 59.869 -15.253 25.719 1.00 0.00 N ATOM 424 NH2 ARG A 27 60.096 -14.558 23.550 1.00 0.00 N ATOM 0 H ARG A 27 60.703 -19.542 27.316 1.00 0.00 H new ATOM 0 HA ARG A 27 59.972 -21.192 25.062 1.00 0.00 H new ATOM 0 HB2 ARG A 27 62.562 -19.872 25.921 1.00 0.00 H new ATOM 0 HB3 ARG A 27 62.476 -20.949 24.541 1.00 0.00 H new ATOM 0 HG2 ARG A 27 62.372 -18.738 23.660 1.00 0.00 H new ATOM 0 HG3 ARG A 27 60.751 -19.390 23.517 1.00 0.00 H new ATOM 0 HD2 ARG A 27 60.009 -18.115 25.486 1.00 0.00 H new ATOM 0 HD3 ARG A 27 61.643 -17.559 25.788 1.00 0.00 H new ATOM 0 HE ARG A 27 60.959 -16.828 23.117 1.00 0.00 H new ATOM 0 HH11 ARG A 27 59.956 -15.980 26.429 1.00 0.00 H new ATOM 0 HH12 ARG A 27 59.501 -14.335 25.971 1.00 0.00 H new ATOM 0 HH21 ARG A 27 60.357 -14.742 22.581 1.00 0.00 H new ATOM 0 HH22 ARG A 27 59.727 -13.645 23.814 1.00 0.00 H new ATOM 438 N VAL A 28 60.570 -23.452 25.992 1.00 0.00 N ATOM 439 CA VAL A 28 61.024 -24.843 26.199 1.00 0.00 C ATOM 440 C VAL A 28 61.073 -25.529 24.834 1.00 0.00 C ATOM 441 O VAL A 28 60.317 -25.151 23.933 1.00 0.00 O ATOM 442 CB VAL A 28 60.085 -25.643 27.178 1.00 0.00 C ATOM 443 CG1 VAL A 28 60.154 -25.086 28.616 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.627 -25.664 26.670 1.00 0.00 C ATOM 0 H VAL A 28 59.663 -23.391 25.529 1.00 0.00 H new ATOM 0 HA VAL A 28 62.010 -24.825 26.664 1.00 0.00 H new ATOM 0 HB VAL A 28 60.449 -26.670 27.201 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.493 -25.664 29.262 1.00 0.00 H new ATOM 0 HG12 VAL A 28 61.177 -25.159 28.986 1.00 0.00 H new ATOM 0 HG13 VAL A 28 59.841 -24.042 28.617 1.00 0.00 H new ATOM 0 HG21 VAL A 28 58.006 -26.224 27.369 1.00 0.00 H new ATOM 0 HG22 VAL A 28 58.254 -24.643 26.592 1.00 0.00 H new ATOM 0 HG23 VAL A 28 58.590 -26.140 25.690 1.00 0.00 H new ATOM 454 N ASN A 29 61.939 -26.546 24.693 1.00 0.00 N ATOM 455 CA ASN A 29 62.175 -27.231 23.400 1.00 0.00 C ATOM 456 C ASN A 29 60.899 -27.932 22.876 1.00 0.00 C ATOM 457 O ASN A 29 59.943 -28.125 23.626 1.00 0.00 O ATOM 458 CB ASN A 29 63.344 -28.242 23.519 1.00 0.00 C ATOM 459 CG ASN A 29 64.662 -27.587 23.947 1.00 0.00 C ATOM 460 OD1 ASN A 29 65.414 -27.079 23.114 1.00 0.00 O ATOM 461 ND2 ASN A 29 64.962 -27.608 25.233 1.00 0.00 N ATOM 0 H ASN A 29 62.494 -26.919 25.463 1.00 0.00 H new ATOM 0 HA ASN A 29 62.448 -26.466 22.674 1.00 0.00 H new ATOM 0 HB2 ASN A 29 63.077 -29.014 24.241 1.00 0.00 H new ATOM 0 HB3 ASN A 29 63.486 -28.739 22.559 1.00 0.00 H new ATOM 0 HD21 ASN A 29 65.836 -27.196 25.560 1.00 0.00 H new ATOM 0 HD22 ASN A 29 64.319 -28.036 25.900 1.00 0.00 H new ATOM 468 N SER A 30 60.914 -28.306 21.577 1.00 0.00 N ATOM 469 CA SER A 30 59.769 -28.968 20.888 1.00 0.00 C ATOM 470 C SER A 30 59.298 -30.260 21.605 1.00 0.00 C ATOM 471 O SER A 30 58.102 -30.573 21.622 1.00 0.00 O ATOM 472 CB SER A 30 60.157 -29.269 19.415 1.00 0.00 C ATOM 473 OG SER A 30 60.648 -28.108 18.766 1.00 0.00 O ATOM 0 H SER A 30 61.720 -28.159 20.970 1.00 0.00 H new ATOM 0 HA SER A 30 58.925 -28.279 20.917 1.00 0.00 H new ATOM 0 HB2 SER A 30 60.915 -30.052 19.389 1.00 0.00 H new ATOM 0 HB3 SER A 30 59.288 -29.649 18.878 1.00 0.00 H new ATOM 0 HG SER A 30 61.047 -28.358 17.906 1.00 0.00 H new ATOM 479 N GLN A 31 60.262 -30.981 22.210 1.00 0.00 N ATOM 480 CA GLN A 31 60.008 -32.199 23.018 1.00 0.00 C ATOM 481 C GLN A 31 59.066 -31.910 24.212 1.00 0.00 C ATOM 482 O GLN A 31 58.269 -32.759 24.608 1.00 0.00 O ATOM 483 CB GLN A 31 61.368 -32.794 23.507 1.00 0.00 C ATOM 484 CG GLN A 31 62.229 -31.817 24.337 1.00 0.00 C ATOM 485 CD GLN A 31 63.603 -32.382 24.712 1.00 0.00 C ATOM 486 OE1 GLN A 31 63.762 -33.018 25.756 1.00 0.00 O ATOM 487 NE2 GLN A 31 64.604 -32.151 23.865 1.00 0.00 N ATOM 0 H GLN A 31 61.250 -30.735 22.153 1.00 0.00 H new ATOM 0 HA GLN A 31 59.503 -32.931 22.388 1.00 0.00 H new ATOM 0 HB2 GLN A 31 61.168 -33.682 24.106 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.942 -33.118 22.639 1.00 0.00 H new ATOM 0 HG2 GLN A 31 62.366 -30.895 23.772 1.00 0.00 H new ATOM 0 HG3 GLN A 31 61.691 -31.555 25.248 1.00 0.00 H new ATOM 0 HE21 GLN A 31 64.436 -31.621 23.010 1.00 0.00 H new ATOM 0 HE22 GLN A 31 65.538 -32.504 24.071 1.00 0.00 H new ATOM 496 N ALA A 32 59.168 -30.684 24.746 1.00 0.00 N ATOM 497 CA ALA A 32 58.369 -30.199 25.884 1.00 0.00 C ATOM 498 C ALA A 32 57.263 -29.217 25.422 1.00 0.00 C ATOM 499 O ALA A 32 56.849 -28.351 26.198 1.00 0.00 O ATOM 500 CB ALA A 32 59.329 -29.537 26.891 1.00 0.00 C ATOM 0 H ALA A 32 59.822 -29.986 24.392 1.00 0.00 H new ATOM 0 HA ALA A 32 57.855 -31.034 26.359 1.00 0.00 H new ATOM 0 HB1 ALA A 32 58.762 -29.168 27.746 1.00 0.00 H new ATOM 0 HB2 ALA A 32 60.062 -30.269 27.230 1.00 0.00 H new ATOM 0 HB3 ALA A 32 59.843 -28.705 26.410 1.00 0.00 H new ATOM 506 N LEU A 33 56.752 -29.433 24.181 1.00 0.00 N ATOM 507 CA LEU A 33 55.768 -28.548 23.492 1.00 0.00 C ATOM 508 C LEU A 33 54.563 -28.062 24.341 1.00 0.00 C ATOM 509 O LEU A 33 53.961 -27.034 24.015 1.00 0.00 O ATOM 510 CB LEU A 33 55.225 -29.219 22.196 1.00 0.00 C ATOM 511 CG LEU A 33 54.295 -30.474 22.356 1.00 0.00 C ATOM 512 CD1 LEU A 33 53.499 -30.757 21.056 1.00 0.00 C ATOM 513 CD2 LEU A 33 55.085 -31.737 22.787 1.00 0.00 C ATOM 0 H LEU A 33 57.016 -30.242 23.619 1.00 0.00 H new ATOM 0 HA LEU A 33 56.353 -27.655 23.270 1.00 0.00 H new ATOM 0 HB2 LEU A 33 54.675 -28.464 21.633 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.080 -29.511 21.587 1.00 0.00 H new ATOM 0 HG LEU A 33 53.589 -30.237 23.151 1.00 0.00 H new ATOM 0 HD11 LEU A 33 52.865 -31.632 21.201 1.00 0.00 H new ATOM 0 HD12 LEU A 33 52.878 -29.895 20.815 1.00 0.00 H new ATOM 0 HD13 LEU A 33 54.194 -30.944 20.237 1.00 0.00 H new ATOM 0 HD21 LEU A 33 54.400 -32.579 22.885 1.00 0.00 H new ATOM 0 HD22 LEU A 33 55.839 -31.969 22.035 1.00 0.00 H new ATOM 0 HD23 LEU A 33 55.572 -31.552 23.745 1.00 0.00 H new ATOM 525 N LEU A 34 54.182 -28.796 25.395 1.00 0.00 N ATOM 526 CA LEU A 34 53.046 -28.398 26.257 1.00 0.00 C ATOM 527 C LEU A 34 53.481 -28.264 27.723 1.00 0.00 C ATOM 528 O LEU A 34 53.342 -27.185 28.325 1.00 0.00 O ATOM 529 CB LEU A 34 51.873 -29.411 26.112 1.00 0.00 C ATOM 530 CG LEU A 34 51.200 -29.488 24.696 1.00 0.00 C ATOM 531 CD1 LEU A 34 50.035 -30.510 24.670 1.00 0.00 C ATOM 532 CD2 LEU A 34 50.722 -28.094 24.225 1.00 0.00 C ATOM 0 H LEU A 34 54.637 -29.665 25.675 1.00 0.00 H new ATOM 0 HA LEU A 34 52.697 -27.419 25.928 1.00 0.00 H new ATOM 0 HB2 LEU A 34 52.242 -30.403 26.371 1.00 0.00 H new ATOM 0 HB3 LEU A 34 51.106 -29.155 26.843 1.00 0.00 H new ATOM 0 HG LEU A 34 51.960 -29.838 23.997 1.00 0.00 H new ATOM 0 HD11 LEU A 34 49.595 -30.535 23.673 1.00 0.00 H new ATOM 0 HD12 LEU A 34 50.414 -31.500 24.924 1.00 0.00 H new ATOM 0 HD13 LEU A 34 49.276 -30.215 25.395 1.00 0.00 H new ATOM 0 HD21 LEU A 34 50.260 -28.181 23.241 1.00 0.00 H new ATOM 0 HD22 LEU A 34 49.994 -27.700 24.934 1.00 0.00 H new ATOM 0 HD23 LEU A 34 51.575 -27.417 24.167 1.00 0.00 H new ATOM 544 N GLY A 35 54.007 -29.366 28.277 1.00 0.00 N ATOM 545 CA GLY A 35 54.392 -29.424 29.685 1.00 0.00 C ATOM 546 C GLY A 35 53.193 -29.553 30.625 1.00 0.00 C ATOM 547 O GLY A 35 52.137 -30.050 30.208 1.00 0.00 O ATOM 0 H GLY A 35 54.174 -30.231 27.764 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.061 -30.271 29.839 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.952 -28.525 29.941 1.00 0.00 H new ATOM 551 N PRO A 36 53.320 -29.117 31.920 1.00 0.00 N ATOM 552 CA PRO A 36 52.173 -29.043 32.868 1.00 0.00 C ATOM 553 C PRO A 36 51.225 -27.865 32.540 1.00 0.00 C ATOM 554 O PRO A 36 50.080 -27.818 33.012 1.00 0.00 O ATOM 555 CB PRO A 36 52.871 -28.855 34.240 1.00 0.00 C ATOM 556 CG PRO A 36 54.137 -28.126 33.916 1.00 0.00 C ATOM 557 CD PRO A 36 54.591 -28.672 32.577 1.00 0.00 C ATOM 0 HA PRO A 36 51.531 -29.923 32.829 1.00 0.00 H new ATOM 0 HB2 PRO A 36 52.248 -28.283 34.928 1.00 0.00 H new ATOM 0 HB3 PRO A 36 53.075 -29.814 34.717 1.00 0.00 H new ATOM 0 HG2 PRO A 36 53.967 -27.051 33.864 1.00 0.00 H new ATOM 0 HG3 PRO A 36 54.893 -28.293 34.684 1.00 0.00 H new ATOM 0 HD2 PRO A 36 55.100 -27.910 31.987 1.00 0.00 H new ATOM 0 HD3 PRO A 36 55.289 -29.500 32.699 1.00 0.00 H new ATOM 565 N ASP A 37 51.727 -26.927 31.718 1.00 0.00 N ATOM 566 CA ASP A 37 51.008 -25.717 31.310 1.00 0.00 C ATOM 567 C ASP A 37 50.012 -26.030 30.194 1.00 0.00 C ATOM 568 O ASP A 37 48.818 -25.738 30.307 1.00 0.00 O ATOM 569 CB ASP A 37 52.023 -24.648 30.828 1.00 0.00 C ATOM 570 CG ASP A 37 52.933 -24.161 31.958 1.00 0.00 C ATOM 571 OD1 ASP A 37 53.959 -24.819 32.245 1.00 0.00 O ATOM 572 OD2 ASP A 37 52.594 -23.146 32.598 1.00 0.00 O ATOM 0 H ASP A 37 52.661 -26.994 31.314 1.00 0.00 H new ATOM 0 HA ASP A 37 50.454 -25.334 32.167 1.00 0.00 H new ATOM 0 HB2 ASP A 37 52.633 -25.065 30.027 1.00 0.00 H new ATOM 0 HB3 ASP A 37 51.482 -23.800 30.409 1.00 0.00 H new ATOM 577 N GLY A 38 50.531 -26.636 29.118 1.00 0.00 N ATOM 578 CA GLY A 38 49.770 -26.847 27.886 1.00 0.00 C ATOM 579 C GLY A 38 49.760 -25.611 26.986 1.00 0.00 C ATOM 580 O GLY A 38 49.118 -25.612 25.935 1.00 0.00 O ATOM 0 H GLY A 38 51.486 -26.991 29.080 1.00 0.00 H new ATOM 0 HA2 GLY A 38 50.196 -27.688 27.339 1.00 0.00 H new ATOM 0 HA3 GLY A 38 48.745 -27.118 28.138 1.00 0.00 H new ATOM 584 N LYS A 39 50.492 -24.561 27.406 1.00 0.00 N ATOM 585 CA LYS A 39 50.560 -23.269 26.708 1.00 0.00 C ATOM 586 C LYS A 39 51.955 -22.633 26.907 1.00 0.00 C ATOM 587 O LYS A 39 52.199 -21.927 27.867 1.00 0.00 O ATOM 588 CB LYS A 39 49.352 -22.339 27.137 1.00 0.00 C ATOM 589 CG LYS A 39 48.884 -22.399 28.629 1.00 0.00 C ATOM 590 CD LYS A 39 49.842 -21.696 29.620 1.00 0.00 C ATOM 591 CE LYS A 39 49.364 -21.714 31.079 1.00 0.00 C ATOM 592 NZ LYS A 39 50.374 -21.114 32.002 1.00 0.00 N ATOM 0 H LYS A 39 51.060 -24.590 28.253 1.00 0.00 H new ATOM 0 HA LYS A 39 50.445 -23.416 25.634 1.00 0.00 H new ATOM 0 HB2 LYS A 39 49.626 -21.308 26.912 1.00 0.00 H new ATOM 0 HB3 LYS A 39 48.498 -22.586 26.507 1.00 0.00 H new ATOM 0 HG2 LYS A 39 47.898 -21.942 28.708 1.00 0.00 H new ATOM 0 HG3 LYS A 39 48.776 -23.443 28.923 1.00 0.00 H new ATOM 0 HD2 LYS A 39 50.820 -22.175 29.564 1.00 0.00 H new ATOM 0 HD3 LYS A 39 49.976 -20.661 29.306 1.00 0.00 H new ATOM 0 HE2 LYS A 39 48.426 -21.165 31.161 1.00 0.00 H new ATOM 0 HE3 LYS A 39 49.160 -22.741 31.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 49.913 -20.848 32.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 51.125 -21.807 32.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 50.788 -20.268 31.561 1.00 0.00 H new ATOM 606 N VAL A 40 52.896 -22.947 26.000 1.00 0.00 N ATOM 607 CA VAL A 40 54.309 -22.490 26.082 1.00 0.00 C ATOM 608 C VAL A 40 54.875 -22.231 24.675 1.00 0.00 C ATOM 609 O VAL A 40 54.244 -22.552 23.667 1.00 0.00 O ATOM 610 CB VAL A 40 55.236 -23.529 26.829 1.00 0.00 C ATOM 611 CG1 VAL A 40 54.894 -23.660 28.336 1.00 0.00 C ATOM 612 CG2 VAL A 40 55.204 -24.907 26.123 1.00 0.00 C ATOM 0 H VAL A 40 52.705 -23.527 25.183 1.00 0.00 H new ATOM 0 HA VAL A 40 54.304 -21.565 26.659 1.00 0.00 H new ATOM 0 HB VAL A 40 56.253 -23.140 26.776 1.00 0.00 H new ATOM 0 HG11 VAL A 40 55.562 -24.387 28.799 1.00 0.00 H new ATOM 0 HG12 VAL A 40 55.017 -22.692 28.823 1.00 0.00 H new ATOM 0 HG13 VAL A 40 53.862 -23.993 28.447 1.00 0.00 H new ATOM 0 HG21 VAL A 40 55.850 -25.604 26.656 1.00 0.00 H new ATOM 0 HG22 VAL A 40 54.183 -25.289 26.118 1.00 0.00 H new ATOM 0 HG23 VAL A 40 55.556 -24.799 25.097 1.00 0.00 H new ATOM 622 N ILE A 41 56.078 -21.632 24.630 1.00 0.00 N ATOM 623 CA ILE A 41 56.772 -21.309 23.381 1.00 0.00 C ATOM 624 C ILE A 41 57.752 -22.448 23.013 1.00 0.00 C ATOM 625 O ILE A 41 58.736 -22.695 23.722 1.00 0.00 O ATOM 626 CB ILE A 41 57.534 -19.939 23.485 1.00 0.00 C ATOM 627 CG1 ILE A 41 56.591 -18.814 24.031 1.00 0.00 C ATOM 628 CG2 ILE A 41 58.120 -19.544 22.108 1.00 0.00 C ATOM 629 CD1 ILE A 41 57.232 -17.442 24.120 1.00 0.00 C ATOM 0 H ILE A 41 56.595 -21.359 25.466 1.00 0.00 H new ATOM 0 HA ILE A 41 56.026 -21.211 22.593 1.00 0.00 H new ATOM 0 HB ILE A 41 58.357 -20.057 24.190 1.00 0.00 H new ATOM 0 HG12 ILE A 41 55.713 -18.750 23.388 1.00 0.00 H new ATOM 0 HG13 ILE A 41 56.240 -19.102 25.022 1.00 0.00 H new ATOM 0 HG21 ILE A 41 58.645 -18.593 22.195 1.00 0.00 H new ATOM 0 HG22 ILE A 41 58.816 -20.314 21.775 1.00 0.00 H new ATOM 0 HG23 ILE A 41 57.312 -19.447 21.383 1.00 0.00 H new ATOM 0 HD11 ILE A 41 56.507 -16.726 24.508 1.00 0.00 H new ATOM 0 HD12 ILE A 41 58.092 -17.485 24.788 1.00 0.00 H new ATOM 0 HD13 ILE A 41 57.558 -17.128 23.128 1.00 0.00 H new ATOM 641 N ILE A 42 57.418 -23.137 21.919 1.00 0.00 N ATOM 642 CA ILE A 42 58.189 -24.249 21.332 1.00 0.00 C ATOM 643 C ILE A 42 59.480 -23.728 20.695 1.00 0.00 C ATOM 644 O ILE A 42 59.435 -22.968 19.724 1.00 0.00 O ATOM 645 CB ILE A 42 57.324 -25.024 20.235 1.00 0.00 C ATOM 646 CG1 ILE A 42 56.205 -25.905 20.876 1.00 0.00 C ATOM 647 CG2 ILE A 42 58.187 -25.900 19.286 1.00 0.00 C ATOM 648 CD1 ILE A 42 55.279 -25.186 21.836 1.00 0.00 C ATOM 0 H ILE A 42 56.569 -22.931 21.392 1.00 0.00 H new ATOM 0 HA ILE A 42 58.441 -24.943 22.134 1.00 0.00 H new ATOM 0 HB ILE A 42 56.859 -24.238 19.641 1.00 0.00 H new ATOM 0 HG12 ILE A 42 55.605 -26.339 20.076 1.00 0.00 H new ATOM 0 HG13 ILE A 42 56.677 -26.733 21.405 1.00 0.00 H new ATOM 0 HG21 ILE A 42 57.541 -26.400 18.564 1.00 0.00 H new ATOM 0 HG22 ILE A 42 58.901 -25.269 18.757 1.00 0.00 H new ATOM 0 HG23 ILE A 42 58.725 -26.647 19.869 1.00 0.00 H new ATOM 0 HD11 ILE A 42 54.540 -25.888 22.223 1.00 0.00 H new ATOM 0 HD12 ILE A 42 55.859 -24.776 22.663 1.00 0.00 H new ATOM 0 HD13 ILE A 42 54.771 -24.376 21.313 1.00 0.00 H new ATOM 660 N ASP A 43 60.613 -24.154 21.249 1.00 0.00 N ATOM 661 CA ASP A 43 61.931 -23.911 20.667 1.00 0.00 C ATOM 662 C ASP A 43 62.290 -25.121 19.797 1.00 0.00 C ATOM 663 O ASP A 43 62.580 -26.214 20.310 1.00 0.00 O ATOM 664 CB ASP A 43 63.000 -23.692 21.774 1.00 0.00 C ATOM 665 CG ASP A 43 64.396 -23.345 21.203 1.00 0.00 C ATOM 666 OD1 ASP A 43 65.190 -24.263 20.886 1.00 0.00 O ATOM 667 OD2 ASP A 43 64.704 -22.144 21.056 1.00 0.00 O ATOM 0 H ASP A 43 60.642 -24.682 22.121 1.00 0.00 H new ATOM 0 HA ASP A 43 61.909 -23.004 20.063 1.00 0.00 H new ATOM 0 HB2 ASP A 43 62.673 -22.888 22.434 1.00 0.00 H new ATOM 0 HB3 ASP A 43 63.076 -24.593 22.382 1.00 0.00 H new ATOM 672 N HIS A 44 62.182 -24.948 18.481 1.00 0.00 N ATOM 673 CA HIS A 44 62.722 -25.902 17.508 1.00 0.00 C ATOM 674 C HIS A 44 64.023 -25.312 16.953 1.00 0.00 C ATOM 675 O HIS A 44 64.020 -24.577 15.954 1.00 0.00 O ATOM 676 CB HIS A 44 61.685 -26.214 16.394 1.00 0.00 C ATOM 677 CG HIS A 44 62.125 -27.290 15.430 1.00 0.00 C ATOM 678 ND1 HIS A 44 61.760 -28.612 15.559 1.00 0.00 N ATOM 679 CD2 HIS A 44 62.911 -27.235 14.328 1.00 0.00 C ATOM 680 CE1 HIS A 44 62.298 -29.314 14.582 1.00 0.00 C ATOM 681 NE2 HIS A 44 63.001 -28.504 13.824 1.00 0.00 N ATOM 0 H HIS A 44 61.719 -24.144 18.057 1.00 0.00 H new ATOM 0 HA HIS A 44 62.936 -26.859 17.984 1.00 0.00 H new ATOM 0 HB2 HIS A 44 60.748 -26.519 16.859 1.00 0.00 H new ATOM 0 HB3 HIS A 44 61.481 -25.301 15.835 1.00 0.00 H new ATOM 0 HD2 HIS A 44 63.381 -26.351 13.922 1.00 0.00 H new ATOM 0 HE1 HIS A 44 62.181 -30.377 14.430 1.00 0.00 H new ATOM 0 HE2 HIS A 44 63.528 -28.777 12.995 1.00 0.00 H new ATOM 690 N ASN A 45 65.113 -25.593 17.689 1.00 0.00 N ATOM 691 CA ASN A 45 66.488 -25.211 17.344 1.00 0.00 C ATOM 692 C ASN A 45 66.606 -23.695 17.112 1.00 0.00 C ATOM 693 O ASN A 45 67.026 -23.233 16.049 1.00 0.00 O ATOM 694 CB ASN A 45 66.997 -26.043 16.137 1.00 0.00 C ATOM 695 CG ASN A 45 66.871 -27.555 16.388 1.00 0.00 C ATOM 696 OD1 ASN A 45 65.897 -28.196 15.982 1.00 0.00 O ATOM 697 ND2 ASN A 45 67.822 -28.112 17.111 1.00 0.00 N ATOM 0 H ASN A 45 65.056 -26.109 18.567 1.00 0.00 H new ATOM 0 HA ASN A 45 67.136 -25.442 18.189 1.00 0.00 H new ATOM 0 HB2 ASN A 45 66.429 -25.775 15.246 1.00 0.00 H new ATOM 0 HB3 ASN A 45 68.039 -25.794 15.938 1.00 0.00 H new ATOM 0 HD21 ASN A 45 67.767 -29.102 17.351 1.00 0.00 H new ATOM 0 HD22 ASN A 45 68.613 -27.553 17.430 1.00 0.00 H new ATOM 704 N GLY A 46 66.184 -22.938 18.130 1.00 0.00 N ATOM 705 CA GLY A 46 66.211 -21.470 18.093 1.00 0.00 C ATOM 706 C GLY A 46 64.919 -20.847 17.580 1.00 0.00 C ATOM 707 O GLY A 46 64.606 -19.700 17.920 1.00 0.00 O ATOM 0 H GLY A 46 65.815 -23.322 19.000 1.00 0.00 H new ATOM 0 HA2 GLY A 46 66.412 -21.094 19.096 1.00 0.00 H new ATOM 0 HA3 GLY A 46 67.037 -21.146 17.459 1.00 0.00 H new ATOM 711 N GLN A 47 64.168 -21.595 16.747 1.00 0.00 N ATOM 712 CA GLN A 47 62.928 -21.102 16.131 1.00 0.00 C ATOM 713 C GLN A 47 61.773 -21.257 17.131 1.00 0.00 C ATOM 714 O GLN A 47 61.294 -22.370 17.370 1.00 0.00 O ATOM 715 CB GLN A 47 62.641 -21.903 14.836 1.00 0.00 C ATOM 716 CG GLN A 47 63.757 -21.852 13.780 1.00 0.00 C ATOM 717 CD GLN A 47 63.481 -22.774 12.587 1.00 0.00 C ATOM 718 OE1 GLN A 47 62.873 -22.367 11.590 1.00 0.00 O ATOM 719 NE2 GLN A 47 63.931 -24.017 12.681 1.00 0.00 N ATOM 0 H GLN A 47 64.405 -22.552 16.486 1.00 0.00 H new ATOM 0 HA GLN A 47 63.032 -20.048 15.872 1.00 0.00 H new ATOM 0 HB2 GLN A 47 62.461 -22.944 15.103 1.00 0.00 H new ATOM 0 HB3 GLN A 47 61.721 -21.525 14.389 1.00 0.00 H new ATOM 0 HG2 GLN A 47 63.870 -20.828 13.425 1.00 0.00 H new ATOM 0 HG3 GLN A 47 64.703 -22.135 14.242 1.00 0.00 H new ATOM 0 HE21 GLN A 47 64.429 -24.317 13.519 1.00 0.00 H new ATOM 0 HE22 GLN A 47 63.780 -24.673 11.915 1.00 0.00 H new ATOM 728 N GLU A 48 61.334 -20.135 17.705 1.00 0.00 N ATOM 729 CA GLU A 48 60.368 -20.122 18.809 1.00 0.00 C ATOM 730 C GLU A 48 58.941 -19.761 18.311 1.00 0.00 C ATOM 731 O GLU A 48 58.734 -18.731 17.659 1.00 0.00 O ATOM 732 CB GLU A 48 60.861 -19.157 19.922 1.00 0.00 C ATOM 733 CG GLU A 48 61.075 -17.691 19.494 1.00 0.00 C ATOM 734 CD GLU A 48 61.370 -16.743 20.674 1.00 0.00 C ATOM 735 OE1 GLU A 48 62.464 -16.833 21.273 1.00 0.00 O ATOM 736 OE2 GLU A 48 60.505 -15.910 21.023 1.00 0.00 O ATOM 0 H GLU A 48 61.639 -19.205 17.417 1.00 0.00 H new ATOM 0 HA GLU A 48 60.300 -21.124 19.232 1.00 0.00 H new ATOM 0 HB2 GLU A 48 60.139 -19.175 20.738 1.00 0.00 H new ATOM 0 HB3 GLU A 48 61.801 -19.541 20.319 1.00 0.00 H new ATOM 0 HG2 GLU A 48 61.902 -17.645 18.785 1.00 0.00 H new ATOM 0 HG3 GLU A 48 60.186 -17.340 18.970 1.00 0.00 H new ATOM 743 N TYR A 49 57.957 -20.645 18.603 1.00 0.00 N ATOM 744 CA TYR A 49 56.529 -20.446 18.241 1.00 0.00 C ATOM 745 C TYR A 49 55.633 -20.833 19.435 1.00 0.00 C ATOM 746 O TYR A 49 55.829 -21.891 20.020 1.00 0.00 O ATOM 747 CB TYR A 49 56.105 -21.280 16.975 1.00 0.00 C ATOM 748 CG TYR A 49 57.214 -22.075 16.256 1.00 0.00 C ATOM 749 CD1 TYR A 49 57.958 -21.504 15.227 1.00 0.00 C ATOM 750 CD2 TYR A 49 57.485 -23.406 16.591 1.00 0.00 C ATOM 751 CE1 TYR A 49 58.921 -22.229 14.554 1.00 0.00 C ATOM 752 CE2 TYR A 49 58.453 -24.129 15.928 1.00 0.00 C ATOM 753 CZ TYR A 49 59.169 -23.540 14.909 1.00 0.00 C ATOM 754 OH TYR A 49 60.126 -24.268 14.228 1.00 0.00 O ATOM 0 H TYR A 49 58.130 -21.520 19.098 1.00 0.00 H new ATOM 0 HA TYR A 49 56.402 -19.392 17.995 1.00 0.00 H new ATOM 0 HB2 TYR A 49 55.327 -21.981 17.276 1.00 0.00 H new ATOM 0 HB3 TYR A 49 55.656 -20.597 16.254 1.00 0.00 H new ATOM 0 HD1 TYR A 49 57.779 -20.476 14.950 1.00 0.00 H new ATOM 0 HD2 TYR A 49 56.924 -23.876 17.385 1.00 0.00 H new ATOM 0 HE1 TYR A 49 59.480 -21.771 13.751 1.00 0.00 H new ATOM 0 HE2 TYR A 49 58.650 -25.154 16.206 1.00 0.00 H new ATOM 0 HH TYR A 49 60.688 -23.660 13.704 1.00 0.00 H new ATOM 764 N LEU A 50 54.621 -20.000 19.742 1.00 0.00 N ATOM 765 CA LEU A 50 53.698 -20.225 20.884 1.00 0.00 C ATOM 766 C LEU A 50 52.664 -21.296 20.480 1.00 0.00 C ATOM 767 O LEU A 50 52.071 -21.200 19.412 1.00 0.00 O ATOM 768 CB LEU A 50 53.025 -18.856 21.266 1.00 0.00 C ATOM 769 CG LEU A 50 52.112 -18.766 22.555 1.00 0.00 C ATOM 770 CD1 LEU A 50 50.722 -19.424 22.377 1.00 0.00 C ATOM 771 CD2 LEU A 50 52.830 -19.326 23.802 1.00 0.00 C ATOM 0 H LEU A 50 54.416 -19.154 19.211 1.00 0.00 H new ATOM 0 HA LEU A 50 54.230 -20.590 21.762 1.00 0.00 H new ATOM 0 HB2 LEU A 50 53.822 -18.121 21.379 1.00 0.00 H new ATOM 0 HB3 LEU A 50 52.420 -18.542 20.415 1.00 0.00 H new ATOM 0 HG LEU A 50 51.930 -17.702 22.709 1.00 0.00 H new ATOM 0 HD11 LEU A 50 50.151 -19.324 23.300 1.00 0.00 H new ATOM 0 HD12 LEU A 50 50.187 -18.931 21.565 1.00 0.00 H new ATOM 0 HD13 LEU A 50 50.847 -20.481 22.140 1.00 0.00 H new ATOM 0 HD21 LEU A 50 52.172 -19.247 24.667 1.00 0.00 H new ATOM 0 HD22 LEU A 50 53.086 -20.372 23.635 1.00 0.00 H new ATOM 0 HD23 LEU A 50 53.740 -18.754 23.985 1.00 0.00 H new ATOM 783 N LEU A 51 52.490 -22.315 21.324 1.00 0.00 N ATOM 784 CA LEU A 51 51.425 -23.330 21.190 1.00 0.00 C ATOM 785 C LEU A 51 50.601 -23.331 22.477 1.00 0.00 C ATOM 786 O LEU A 51 51.178 -23.282 23.575 1.00 0.00 O ATOM 787 CB LEU A 51 52.042 -24.732 20.963 1.00 0.00 C ATOM 788 CG LEU A 51 51.072 -25.940 20.777 1.00 0.00 C ATOM 789 CD1 LEU A 51 50.179 -25.760 19.535 1.00 0.00 C ATOM 790 CD2 LEU A 51 51.856 -27.276 20.707 1.00 0.00 C ATOM 0 H LEU A 51 53.090 -22.467 22.134 1.00 0.00 H new ATOM 0 HA LEU A 51 50.794 -23.092 20.334 1.00 0.00 H new ATOM 0 HB2 LEU A 51 52.679 -24.677 20.080 1.00 0.00 H new ATOM 0 HB3 LEU A 51 52.690 -24.952 21.811 1.00 0.00 H new ATOM 0 HG LEU A 51 50.420 -25.975 21.650 1.00 0.00 H new ATOM 0 HD11 LEU A 51 49.516 -26.620 19.436 1.00 0.00 H new ATOM 0 HD12 LEU A 51 49.584 -24.853 19.643 1.00 0.00 H new ATOM 0 HD13 LEU A 51 50.804 -25.680 18.646 1.00 0.00 H new ATOM 0 HD21 LEU A 51 51.157 -28.102 20.577 1.00 0.00 H new ATOM 0 HD22 LEU A 51 52.546 -27.249 19.864 1.00 0.00 H new ATOM 0 HD23 LEU A 51 52.417 -27.417 21.631 1.00 0.00 H new ATOM 802 N ARG A 52 49.262 -23.393 22.346 1.00 0.00 N ATOM 803 CA ARG A 52 48.349 -23.350 23.507 1.00 0.00 C ATOM 804 C ARG A 52 47.156 -24.311 23.333 1.00 0.00 C ATOM 805 O ARG A 52 46.638 -24.478 22.224 1.00 0.00 O ATOM 806 CB ARG A 52 47.859 -21.894 23.730 1.00 0.00 C ATOM 807 CG ARG A 52 46.955 -21.336 22.613 1.00 0.00 C ATOM 808 CD ARG A 52 46.643 -19.846 22.782 1.00 0.00 C ATOM 809 NE ARG A 52 46.041 -19.542 24.090 1.00 0.00 N ATOM 810 CZ ARG A 52 45.976 -18.324 24.644 1.00 0.00 C ATOM 811 NH1 ARG A 52 46.492 -17.256 24.036 1.00 0.00 N ATOM 812 NH2 ARG A 52 45.416 -18.188 25.833 1.00 0.00 N ATOM 0 H ARG A 52 48.787 -23.473 21.447 1.00 0.00 H new ATOM 0 HA ARG A 52 48.899 -23.683 24.387 1.00 0.00 H new ATOM 0 HB2 ARG A 52 47.315 -21.849 24.674 1.00 0.00 H new ATOM 0 HB3 ARG A 52 48.729 -21.245 23.832 1.00 0.00 H new ATOM 0 HG2 ARG A 52 47.439 -21.493 21.649 1.00 0.00 H new ATOM 0 HG3 ARG A 52 46.021 -21.897 22.595 1.00 0.00 H new ATOM 0 HD2 ARG A 52 47.561 -19.270 22.665 1.00 0.00 H new ATOM 0 HD3 ARG A 52 45.965 -19.528 21.990 1.00 0.00 H new ATOM 0 HE ARG A 52 45.642 -20.320 24.616 1.00 0.00 H new ATOM 0 HH11 ARG A 52 46.948 -17.356 23.129 1.00 0.00 H new ATOM 0 HH12 ARG A 52 46.430 -16.339 24.477 1.00 0.00 H new ATOM 0 HH21 ARG A 52 45.041 -19.004 26.316 1.00 0.00 H new ATOM 0 HH22 ARG A 52 45.359 -17.267 26.268 1.00 0.00 H new ATOM 826 N LYS A 53 46.740 -24.946 24.444 1.00 0.00 N ATOM 827 CA LYS A 53 45.540 -25.798 24.488 1.00 0.00 C ATOM 828 C LYS A 53 44.285 -24.913 24.578 1.00 0.00 C ATOM 829 O LYS A 53 43.992 -24.348 25.640 1.00 0.00 O ATOM 830 CB LYS A 53 45.599 -26.778 25.699 1.00 0.00 C ATOM 831 CG LYS A 53 46.705 -27.855 25.622 1.00 0.00 C ATOM 832 CD LYS A 53 46.759 -28.766 26.876 1.00 0.00 C ATOM 833 CE LYS A 53 45.448 -29.526 27.141 1.00 0.00 C ATOM 834 NZ LYS A 53 45.109 -30.465 26.039 1.00 0.00 N ATOM 0 H LYS A 53 47.228 -24.882 25.337 1.00 0.00 H new ATOM 0 HA LYS A 53 45.498 -26.393 23.576 1.00 0.00 H new ATOM 0 HB2 LYS A 53 45.743 -26.196 26.610 1.00 0.00 H new ATOM 0 HB3 LYS A 53 44.634 -27.277 25.789 1.00 0.00 H new ATOM 0 HG2 LYS A 53 46.541 -28.473 24.739 1.00 0.00 H new ATOM 0 HG3 LYS A 53 47.671 -27.366 25.494 1.00 0.00 H new ATOM 0 HD2 LYS A 53 47.569 -29.486 26.758 1.00 0.00 H new ATOM 0 HD3 LYS A 53 46.999 -28.157 27.747 1.00 0.00 H new ATOM 0 HE2 LYS A 53 45.535 -30.081 28.075 1.00 0.00 H new ATOM 0 HE3 LYS A 53 44.635 -28.811 27.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 44.228 -30.967 26.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 44.983 -29.932 25.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 45.879 -31.154 25.921 1.00 0.00 H new ATOM 848 N THR A 54 43.581 -24.758 23.449 1.00 0.00 N ATOM 849 CA THR A 54 42.299 -24.041 23.407 1.00 0.00 C ATOM 850 C THR A 54 41.213 -24.913 24.055 1.00 0.00 C ATOM 851 O THR A 54 41.116 -26.119 23.728 1.00 0.00 O ATOM 852 CB THR A 54 41.872 -23.690 21.941 1.00 0.00 C ATOM 853 OG1 THR A 54 41.458 -24.867 21.239 1.00 0.00 O ATOM 854 CG2 THR A 54 43.019 -23.042 21.164 1.00 0.00 C ATOM 0 H THR A 54 43.881 -25.123 22.545 1.00 0.00 H new ATOM 0 HA THR A 54 42.420 -23.105 23.953 1.00 0.00 H new ATOM 0 HB THR A 54 41.043 -22.986 22.012 1.00 0.00 H new ATOM 0 HG1 THR A 54 40.881 -24.614 20.488 1.00 0.00 H new ATOM 0 HG21 THR A 54 42.688 -22.812 20.151 1.00 0.00 H new ATOM 0 HG22 THR A 54 43.324 -22.123 21.664 1.00 0.00 H new ATOM 0 HG23 THR A 54 43.864 -23.729 21.122 1.00 0.00 H new ATOM 862 N GLN A 55 40.391 -24.299 24.942 1.00 0.00 N ATOM 863 CA GLN A 55 39.280 -24.988 25.643 1.00 0.00 C ATOM 864 C GLN A 55 38.128 -25.323 24.652 1.00 0.00 C ATOM 865 O GLN A 55 37.188 -26.054 24.990 1.00 0.00 O ATOM 866 CB GLN A 55 38.797 -24.115 26.840 1.00 0.00 C ATOM 867 CG GLN A 55 37.797 -24.811 27.802 1.00 0.00 C ATOM 868 CD GLN A 55 37.384 -23.955 29.012 1.00 0.00 C ATOM 869 OE1 GLN A 55 38.144 -23.113 29.494 1.00 0.00 O ATOM 870 NE2 GLN A 55 36.173 -24.156 29.510 1.00 0.00 N ATOM 0 H GLN A 55 40.480 -23.314 25.191 1.00 0.00 H new ATOM 0 HA GLN A 55 39.634 -25.938 26.044 1.00 0.00 H new ATOM 0 HB2 GLN A 55 39.668 -23.799 27.413 1.00 0.00 H new ATOM 0 HB3 GLN A 55 38.330 -23.213 26.446 1.00 0.00 H new ATOM 0 HG2 GLN A 55 36.902 -25.084 27.242 1.00 0.00 H new ATOM 0 HG3 GLN A 55 38.243 -25.738 28.163 1.00 0.00 H new ATOM 0 HE21 GLN A 55 35.561 -24.858 29.095 1.00 0.00 H new ATOM 0 HE22 GLN A 55 35.853 -23.608 30.309 1.00 0.00 H new ATOM 879 N ALA A 56 38.248 -24.793 23.411 1.00 0.00 N ATOM 880 CA ALA A 56 37.434 -25.194 22.247 1.00 0.00 C ATOM 881 C ALA A 56 37.647 -26.684 21.885 1.00 0.00 C ATOM 882 O ALA A 56 36.826 -27.278 21.185 1.00 0.00 O ATOM 883 CB ALA A 56 37.765 -24.291 21.041 1.00 0.00 C ATOM 0 H ALA A 56 38.926 -24.063 23.191 1.00 0.00 H new ATOM 0 HA ALA A 56 36.384 -25.071 22.511 1.00 0.00 H new ATOM 0 HB1 ALA A 56 37.161 -24.592 20.185 1.00 0.00 H new ATOM 0 HB2 ALA A 56 37.546 -23.253 21.293 1.00 0.00 H new ATOM 0 HB3 ALA A 56 38.822 -24.389 20.792 1.00 0.00 H new ATOM 889 N GLY A 57 38.753 -27.266 22.378 1.00 0.00 N ATOM 890 CA GLY A 57 39.080 -28.678 22.174 1.00 0.00 C ATOM 891 C GLY A 57 40.162 -28.885 21.128 1.00 0.00 C ATOM 892 O GLY A 57 40.146 -29.885 20.401 1.00 0.00 O ATOM 0 H GLY A 57 39.446 -26.763 22.932 1.00 0.00 H new ATOM 0 HA2 GLY A 57 39.407 -29.111 23.119 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.181 -29.215 21.872 1.00 0.00 H new ATOM 896 N LYS A 58 41.127 -27.942 21.058 1.00 0.00 N ATOM 897 CA LYS A 58 42.199 -27.948 20.018 1.00 0.00 C ATOM 898 C LYS A 58 43.536 -27.443 20.585 1.00 0.00 C ATOM 899 O LYS A 58 43.622 -27.011 21.738 1.00 0.00 O ATOM 900 CB LYS A 58 41.804 -27.042 18.809 1.00 0.00 C ATOM 901 CG LYS A 58 40.576 -27.494 17.980 1.00 0.00 C ATOM 902 CD LYS A 58 40.263 -26.521 16.810 1.00 0.00 C ATOM 903 CE LYS A 58 39.972 -25.085 17.289 1.00 0.00 C ATOM 904 NZ LYS A 58 39.755 -24.140 16.155 1.00 0.00 N ATOM 0 H LYS A 58 41.192 -27.160 21.710 1.00 0.00 H new ATOM 0 HA LYS A 58 42.313 -28.981 19.689 1.00 0.00 H new ATOM 0 HB2 LYS A 58 41.611 -26.037 19.184 1.00 0.00 H new ATOM 0 HB3 LYS A 58 42.661 -26.973 18.139 1.00 0.00 H new ATOM 0 HG2 LYS A 58 40.757 -28.492 17.581 1.00 0.00 H new ATOM 0 HG3 LYS A 58 39.706 -27.565 18.633 1.00 0.00 H new ATOM 0 HD2 LYS A 58 41.107 -26.505 16.121 1.00 0.00 H new ATOM 0 HD3 LYS A 58 39.404 -26.894 16.253 1.00 0.00 H new ATOM 0 HE2 LYS A 58 39.089 -25.090 17.928 1.00 0.00 H new ATOM 0 HE3 LYS A 58 40.804 -24.732 17.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 39.563 -23.188 16.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 40.606 -24.113 15.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 38.944 -24.459 15.587 1.00 0.00 H new ATOM 918 N LEU A 59 44.566 -27.516 19.735 1.00 0.00 N ATOM 919 CA LEU A 59 45.856 -26.831 19.919 1.00 0.00 C ATOM 920 C LEU A 59 45.941 -25.655 18.928 1.00 0.00 C ATOM 921 O LEU A 59 45.398 -25.727 17.816 1.00 0.00 O ATOM 922 CB LEU A 59 47.044 -27.827 19.733 1.00 0.00 C ATOM 923 CG LEU A 59 47.351 -28.745 20.958 1.00 0.00 C ATOM 924 CD1 LEU A 59 48.465 -29.768 20.648 1.00 0.00 C ATOM 925 CD2 LEU A 59 47.720 -27.897 22.192 1.00 0.00 C ATOM 0 H LEU A 59 44.527 -28.067 18.877 1.00 0.00 H new ATOM 0 HA LEU A 59 45.925 -26.442 20.935 1.00 0.00 H new ATOM 0 HB2 LEU A 59 46.833 -28.460 18.871 1.00 0.00 H new ATOM 0 HB3 LEU A 59 47.941 -27.255 19.496 1.00 0.00 H new ATOM 0 HG LEU A 59 46.444 -29.309 21.178 1.00 0.00 H new ATOM 0 HD11 LEU A 59 48.646 -30.386 21.527 1.00 0.00 H new ATOM 0 HD12 LEU A 59 48.156 -30.402 19.817 1.00 0.00 H new ATOM 0 HD13 LEU A 59 49.380 -29.240 20.381 1.00 0.00 H new ATOM 0 HD21 LEU A 59 47.931 -28.554 23.036 1.00 0.00 H new ATOM 0 HD22 LEU A 59 48.603 -27.297 21.970 1.00 0.00 H new ATOM 0 HD23 LEU A 59 46.888 -27.239 22.443 1.00 0.00 H new ATOM 937 N LEU A 60 46.615 -24.572 19.345 1.00 0.00 N ATOM 938 CA LEU A 60 46.718 -23.331 18.562 1.00 0.00 C ATOM 939 C LEU A 60 48.180 -22.869 18.539 1.00 0.00 C ATOM 940 O LEU A 60 48.694 -22.356 19.548 1.00 0.00 O ATOM 941 CB LEU A 60 45.814 -22.231 19.175 1.00 0.00 C ATOM 942 CG LEU A 60 45.528 -20.986 18.286 1.00 0.00 C ATOM 943 CD1 LEU A 60 44.663 -21.363 17.061 1.00 0.00 C ATOM 944 CD2 LEU A 60 44.860 -19.867 19.115 1.00 0.00 C ATOM 0 H LEU A 60 47.106 -24.532 20.238 1.00 0.00 H new ATOM 0 HA LEU A 60 46.382 -23.518 17.542 1.00 0.00 H new ATOM 0 HB2 LEU A 60 44.860 -22.685 19.442 1.00 0.00 H new ATOM 0 HB3 LEU A 60 46.275 -21.889 20.102 1.00 0.00 H new ATOM 0 HG LEU A 60 46.481 -20.610 17.914 1.00 0.00 H new ATOM 0 HD11 LEU A 60 44.479 -20.474 16.458 1.00 0.00 H new ATOM 0 HD12 LEU A 60 45.187 -22.107 16.461 1.00 0.00 H new ATOM 0 HD13 LEU A 60 43.712 -21.775 17.400 1.00 0.00 H new ATOM 0 HD21 LEU A 60 44.668 -19.005 18.475 1.00 0.00 H new ATOM 0 HD22 LEU A 60 43.918 -20.231 19.525 1.00 0.00 H new ATOM 0 HD23 LEU A 60 45.522 -19.574 19.930 1.00 0.00 H new ATOM 956 N LEU A 61 48.850 -23.125 17.411 1.00 0.00 N ATOM 957 CA LEU A 61 50.228 -22.701 17.163 1.00 0.00 C ATOM 958 C LEU A 61 50.170 -21.297 16.532 1.00 0.00 C ATOM 959 O LEU A 61 49.818 -21.148 15.357 1.00 0.00 O ATOM 960 CB LEU A 61 50.945 -23.752 16.243 1.00 0.00 C ATOM 961 CG LEU A 61 52.523 -23.737 16.167 1.00 0.00 C ATOM 962 CD1 LEU A 61 53.076 -22.440 15.550 1.00 0.00 C ATOM 963 CD2 LEU A 61 53.164 -24.007 17.547 1.00 0.00 C ATOM 0 H LEU A 61 48.441 -23.642 16.632 1.00 0.00 H new ATOM 0 HA LEU A 61 50.810 -22.648 18.083 1.00 0.00 H new ATOM 0 HB2 LEU A 61 50.639 -24.745 16.573 1.00 0.00 H new ATOM 0 HB3 LEU A 61 50.563 -23.621 15.230 1.00 0.00 H new ATOM 0 HG LEU A 61 52.801 -24.552 15.499 1.00 0.00 H new ATOM 0 HD11 LEU A 61 54.165 -22.485 15.523 1.00 0.00 H new ATOM 0 HD12 LEU A 61 52.692 -22.327 14.536 1.00 0.00 H new ATOM 0 HD13 LEU A 61 52.763 -21.588 16.153 1.00 0.00 H new ATOM 0 HD21 LEU A 61 54.250 -23.989 17.454 1.00 0.00 H new ATOM 0 HD22 LEU A 61 52.847 -23.238 18.252 1.00 0.00 H new ATOM 0 HD23 LEU A 61 52.848 -24.985 17.910 1.00 0.00 H new ATOM 975 N THR A 62 50.467 -20.278 17.346 1.00 0.00 N ATOM 976 CA THR A 62 50.564 -18.878 16.917 1.00 0.00 C ATOM 977 C THR A 62 52.039 -18.429 16.940 1.00 0.00 C ATOM 978 O THR A 62 52.757 -18.701 17.911 1.00 0.00 O ATOM 979 CB THR A 62 49.698 -17.953 17.841 1.00 0.00 C ATOM 980 OG1 THR A 62 50.065 -18.126 19.229 1.00 0.00 O ATOM 981 CG2 THR A 62 48.195 -18.244 17.680 1.00 0.00 C ATOM 0 H THR A 62 50.650 -20.406 18.341 1.00 0.00 H new ATOM 0 HA THR A 62 50.180 -18.795 15.900 1.00 0.00 H new ATOM 0 HB THR A 62 49.893 -16.925 17.537 1.00 0.00 H new ATOM 0 HG1 THR A 62 49.515 -17.539 19.788 1.00 0.00 H new ATOM 0 HG21 THR A 62 47.625 -17.585 18.335 1.00 0.00 H new ATOM 0 HG22 THR A 62 47.900 -18.071 16.645 1.00 0.00 H new ATOM 0 HG23 THR A 62 47.995 -19.282 17.946 1.00 0.00 H new ATOM 989 N LYS A 63 52.476 -17.736 15.880 1.00 0.00 N ATOM 990 CA LYS A 63 53.879 -17.305 15.705 1.00 0.00 C ATOM 991 C LYS A 63 53.941 -16.001 14.875 1.00 0.00 C ATOM 992 O LYS A 63 54.728 -15.099 15.218 1.00 0.00 O ATOM 993 CB LYS A 63 54.722 -18.442 15.061 1.00 0.00 C ATOM 994 CG LYS A 63 54.169 -19.015 13.736 1.00 0.00 C ATOM 995 CD LYS A 63 54.920 -20.292 13.289 1.00 0.00 C ATOM 996 CE LYS A 63 54.407 -20.874 11.963 1.00 0.00 C ATOM 997 NZ LYS A 63 52.967 -21.234 12.015 1.00 0.00 N ATOM 998 OXT LYS A 63 53.152 -15.858 13.917 1.00 0.00 O ATOM 0 H LYS A 63 51.866 -17.454 15.112 1.00 0.00 H new ATOM 0 HA LYS A 63 54.310 -17.094 16.683 1.00 0.00 H new ATOM 0 HB2 LYS A 63 55.729 -18.066 14.881 1.00 0.00 H new ATOM 0 HB3 LYS A 63 54.810 -19.257 15.780 1.00 0.00 H new ATOM 0 HG2 LYS A 63 53.110 -19.242 13.855 1.00 0.00 H new ATOM 0 HG3 LYS A 63 54.247 -18.258 12.955 1.00 0.00 H new ATOM 0 HD2 LYS A 63 55.981 -20.063 13.190 1.00 0.00 H new ATOM 0 HD3 LYS A 63 54.829 -21.049 14.068 1.00 0.00 H new ATOM 0 HE2 LYS A 63 54.567 -20.148 11.166 1.00 0.00 H new ATOM 0 HE3 LYS A 63 54.990 -21.760 11.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 52.859 -22.256 11.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 52.580 -20.983 12.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 52.452 -20.714 11.276 1.00 0.00 H new