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 100:sc= -1.02 USER MOD Set 1.2: A 44 HIS : no HD1:sc= 0 X(o=-1,f=-1) USER MOD Set 1.3: A 49 TYR OH : rot 180:sc=-0.00892 USER MOD Single : A 29 ASN : amide:sc= -0.0545 K(o=-0.055,f=-3!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -106:sc= 0.785 (180deg=-0.128) USER MOD Single : A 45 ASN : amide:sc= -0.372 X(o=-0.37,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -133:sc= -0.645 (180deg=-2.77!) USER MOD Single : A 54 THR OG1 : rot 163:sc= -0.829 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= -0.0135 (180deg=-0.13) USER MOD ----------------------------------------------------------------- ATOM 355 N ALA A 23 49.991 -17.077 24.904 1.00 0.00 N ATOM 356 CA ALA A 23 49.282 -17.717 26.041 1.00 0.00 C ATOM 357 C ALA A 23 50.211 -17.914 27.258 1.00 0.00 C ATOM 358 O ALA A 23 49.784 -17.793 28.408 1.00 0.00 O ATOM 359 CB ALA A 23 48.681 -19.047 25.580 1.00 0.00 C ATOM 0 HA ALA A 23 48.479 -17.056 26.367 1.00 0.00 H new ATOM 0 HB1 ALA A 23 48.160 -19.519 26.413 1.00 0.00 H new ATOM 0 HB2 ALA A 23 47.977 -18.866 24.767 1.00 0.00 H new ATOM 0 HB3 ALA A 23 49.477 -19.704 25.231 1.00 0.00 H new ATOM 365 N ALA A 24 51.482 -18.208 26.963 1.00 0.00 N ATOM 366 CA ALA A 24 52.589 -18.149 27.928 1.00 0.00 C ATOM 367 C ALA A 24 53.860 -17.741 27.177 1.00 0.00 C ATOM 368 O ALA A 24 54.017 -18.085 26.004 1.00 0.00 O ATOM 369 CB ALA A 24 52.789 -19.496 28.632 1.00 0.00 C ATOM 0 H ALA A 24 51.777 -18.499 26.031 1.00 0.00 H new ATOM 0 HA ALA A 24 52.356 -17.416 28.701 1.00 0.00 H new ATOM 0 HB1 ALA A 24 53.615 -19.418 29.339 1.00 0.00 H new ATOM 0 HB2 ALA A 24 51.878 -19.766 29.167 1.00 0.00 H new ATOM 0 HB3 ALA A 24 53.016 -20.263 27.892 1.00 0.00 H new ATOM 375 N GLU A 25 54.769 -17.027 27.857 1.00 0.00 N ATOM 376 CA GLU A 25 56.068 -16.605 27.285 1.00 0.00 C ATOM 377 C GLU A 25 57.177 -17.605 27.701 1.00 0.00 C ATOM 378 O GLU A 25 58.342 -17.233 27.889 1.00 0.00 O ATOM 379 CB GLU A 25 56.409 -15.149 27.731 1.00 0.00 C ATOM 380 CG GLU A 25 56.370 -14.910 29.252 1.00 0.00 C ATOM 381 CD GLU A 25 56.914 -13.535 29.676 1.00 0.00 C ATOM 382 OE1 GLU A 25 56.157 -12.538 29.643 1.00 0.00 O ATOM 383 OE2 GLU A 25 58.113 -13.447 30.036 1.00 0.00 O ATOM 0 H GLU A 25 54.630 -16.723 28.821 1.00 0.00 H new ATOM 0 HA GLU A 25 56.002 -16.608 26.197 1.00 0.00 H new ATOM 0 HB2 GLU A 25 57.403 -14.896 27.364 1.00 0.00 H new ATOM 0 HB3 GLU A 25 55.709 -14.465 27.252 1.00 0.00 H new ATOM 0 HG2 GLU A 25 55.342 -15.007 29.600 1.00 0.00 H new ATOM 0 HG3 GLU A 25 56.949 -15.689 29.748 1.00 0.00 H new ATOM 390 N ARG A 26 56.796 -18.891 27.790 1.00 0.00 N ATOM 391 CA ARG A 26 57.659 -19.967 28.300 1.00 0.00 C ATOM 392 C ARG A 26 58.368 -20.675 27.130 1.00 0.00 C ATOM 393 O ARG A 26 57.808 -21.593 26.530 1.00 0.00 O ATOM 394 CB ARG A 26 56.783 -20.957 29.124 1.00 0.00 C ATOM 395 CG ARG A 26 57.557 -22.076 29.847 1.00 0.00 C ATOM 396 CD ARG A 26 58.556 -21.524 30.870 1.00 0.00 C ATOM 397 NE ARG A 26 59.237 -22.602 31.595 1.00 0.00 N ATOM 398 CZ ARG A 26 60.020 -22.442 32.675 1.00 0.00 C ATOM 399 NH1 ARG A 26 60.275 -21.237 33.179 1.00 0.00 N ATOM 400 NH2 ARG A 26 60.556 -23.504 33.248 1.00 0.00 N ATOM 0 H ARG A 26 55.871 -19.214 27.507 1.00 0.00 H new ATOM 0 HA ARG A 26 58.433 -19.558 28.949 1.00 0.00 H new ATOM 0 HB2 ARG A 26 56.221 -20.389 29.865 1.00 0.00 H new ATOM 0 HB3 ARG A 26 56.055 -21.415 28.455 1.00 0.00 H new ATOM 0 HG2 ARG A 26 56.851 -22.736 30.351 1.00 0.00 H new ATOM 0 HG3 ARG A 26 58.089 -22.680 29.112 1.00 0.00 H new ATOM 0 HD2 ARG A 26 59.294 -20.904 30.361 1.00 0.00 H new ATOM 0 HD3 ARG A 26 58.034 -20.881 31.579 1.00 0.00 H new ATOM 0 HE ARG A 26 59.105 -23.553 31.250 1.00 0.00 H new ATOM 0 HH11 ARG A 26 59.872 -20.407 32.744 1.00 0.00 H new ATOM 0 HH12 ARG A 26 60.873 -21.144 34.000 1.00 0.00 H new ATOM 0 HH21 ARG A 26 60.374 -24.434 32.870 1.00 0.00 H new ATOM 0 HH22 ARG A 26 61.152 -23.395 34.068 1.00 0.00 H new ATOM 414 N ARG A 27 59.587 -20.213 26.778 1.00 0.00 N ATOM 415 CA ARG A 27 60.365 -20.797 25.664 1.00 0.00 C ATOM 416 C ARG A 27 61.076 -22.082 26.140 1.00 0.00 C ATOM 417 O ARG A 27 62.182 -22.036 26.699 1.00 0.00 O ATOM 418 CB ARG A 27 61.395 -19.796 25.052 1.00 0.00 C ATOM 419 CG ARG A 27 60.781 -18.555 24.356 1.00 0.00 C ATOM 420 CD ARG A 27 60.297 -17.493 25.344 1.00 0.00 C ATOM 421 NE ARG A 27 59.669 -16.346 24.674 1.00 0.00 N ATOM 422 CZ ARG A 27 59.295 -15.214 25.296 1.00 0.00 C ATOM 423 NH1 ARG A 27 59.593 -15.010 26.576 1.00 0.00 N ATOM 424 NH2 ARG A 27 58.666 -14.264 24.630 1.00 0.00 N ATOM 0 H ARG A 27 60.053 -19.438 27.249 1.00 0.00 H new ATOM 0 HA ARG A 27 59.659 -21.039 24.869 1.00 0.00 H new ATOM 0 HB2 ARG A 27 62.060 -19.455 25.845 1.00 0.00 H new ATOM 0 HB3 ARG A 27 62.010 -20.331 24.328 1.00 0.00 H new ATOM 0 HG2 ARG A 27 61.524 -18.113 23.692 1.00 0.00 H new ATOM 0 HG3 ARG A 27 59.944 -18.872 23.733 1.00 0.00 H new ATOM 0 HD2 ARG A 27 59.583 -17.942 26.034 1.00 0.00 H new ATOM 0 HD3 ARG A 27 61.140 -17.144 25.940 1.00 0.00 H new ATOM 0 HE ARG A 27 59.506 -16.413 23.669 1.00 0.00 H new ATOM 0 HH11 ARG A 27 60.111 -15.717 27.098 1.00 0.00 H new ATOM 0 HH12 ARG A 27 59.303 -14.147 27.036 1.00 0.00 H new ATOM 0 HH21 ARG A 27 58.461 -14.386 23.638 1.00 0.00 H new ATOM 0 HH22 ARG A 27 58.385 -13.407 25.107 1.00 0.00 H new ATOM 438 N VAL A 28 60.379 -23.216 25.974 1.00 0.00 N ATOM 439 CA VAL A 28 60.904 -24.565 26.276 1.00 0.00 C ATOM 440 C VAL A 28 60.944 -25.395 24.990 1.00 0.00 C ATOM 441 O VAL A 28 60.210 -25.105 24.051 1.00 0.00 O ATOM 442 CB VAL A 28 60.041 -25.314 27.366 1.00 0.00 C ATOM 443 CG1 VAL A 28 60.204 -24.654 28.755 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.557 -25.373 26.953 1.00 0.00 C ATOM 0 H VAL A 28 59.422 -23.227 25.622 1.00 0.00 H new ATOM 0 HA VAL A 28 61.908 -24.446 26.682 1.00 0.00 H new ATOM 0 HB VAL A 28 60.410 -26.337 27.437 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.599 -25.190 29.486 1.00 0.00 H new ATOM 0 HG12 VAL A 28 61.251 -24.690 29.054 1.00 0.00 H new ATOM 0 HG13 VAL A 28 59.877 -23.615 28.705 1.00 0.00 H new ATOM 0 HG21 VAL A 28 57.986 -25.894 27.721 1.00 0.00 H new ATOM 0 HG22 VAL A 28 58.171 -24.360 26.838 1.00 0.00 H new ATOM 0 HG23 VAL A 28 58.464 -25.907 26.007 1.00 0.00 H new ATOM 454 N ASN A 29 61.802 -26.433 24.993 1.00 0.00 N ATOM 455 CA ASN A 29 62.020 -27.371 23.858 1.00 0.00 C ATOM 456 C ASN A 29 60.703 -27.910 23.267 1.00 0.00 C ATOM 457 O ASN A 29 59.677 -27.969 23.961 1.00 0.00 O ATOM 458 CB ASN A 29 62.870 -28.582 24.340 1.00 0.00 C ATOM 459 CG ASN A 29 64.267 -28.225 24.855 1.00 0.00 C ATOM 460 OD1 ASN A 29 64.524 -27.110 25.318 1.00 0.00 O ATOM 461 ND2 ASN A 29 65.176 -29.192 24.815 1.00 0.00 N ATOM 0 H ASN A 29 62.381 -26.654 25.803 1.00 0.00 H new ATOM 0 HA ASN A 29 62.534 -26.808 23.079 1.00 0.00 H new ATOM 0 HB2 ASN A 29 62.327 -29.096 25.133 1.00 0.00 H new ATOM 0 HB3 ASN A 29 62.972 -29.287 23.515 1.00 0.00 H new ATOM 0 HD21 ASN A 29 66.116 -29.023 25.173 1.00 0.00 H new ATOM 0 HD22 ASN A 29 64.934 -30.104 24.426 1.00 0.00 H new ATOM 468 N SER A 30 60.751 -28.305 21.982 1.00 0.00 N ATOM 469 CA SER A 30 59.650 -29.025 21.300 1.00 0.00 C ATOM 470 C SER A 30 59.241 -30.304 22.073 1.00 0.00 C ATOM 471 O SER A 30 58.077 -30.716 22.039 1.00 0.00 O ATOM 472 CB SER A 30 60.078 -29.382 19.854 1.00 0.00 C ATOM 473 OG SER A 30 60.587 -28.254 19.161 1.00 0.00 O ATOM 0 H SER A 30 61.557 -28.135 21.381 1.00 0.00 H new ATOM 0 HA SER A 30 58.780 -28.369 21.270 1.00 0.00 H new ATOM 0 HB2 SER A 30 60.837 -30.164 19.882 1.00 0.00 H new ATOM 0 HB3 SER A 30 59.224 -29.787 19.312 1.00 0.00 H new ATOM 0 HG SER A 30 61.567 -28.280 19.169 1.00 0.00 H new ATOM 479 N GLN A 31 60.219 -30.912 22.766 1.00 0.00 N ATOM 480 CA GLN A 31 59.994 -32.041 23.689 1.00 0.00 C ATOM 481 C GLN A 31 58.913 -31.708 24.748 1.00 0.00 C ATOM 482 O GLN A 31 58.052 -32.537 25.063 1.00 0.00 O ATOM 483 CB GLN A 31 61.321 -32.410 24.397 1.00 0.00 C ATOM 484 CG GLN A 31 62.470 -32.825 23.457 1.00 0.00 C ATOM 485 CD GLN A 31 62.211 -34.137 22.717 1.00 0.00 C ATOM 486 OE1 GLN A 31 62.561 -35.216 23.194 1.00 0.00 O ATOM 487 NE2 GLN A 31 61.609 -34.060 21.539 1.00 0.00 N ATOM 0 H GLN A 31 61.198 -30.632 22.702 1.00 0.00 H new ATOM 0 HA GLN A 31 59.638 -32.887 23.101 1.00 0.00 H new ATOM 0 HB2 GLN A 31 61.648 -31.556 24.990 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.129 -33.227 25.093 1.00 0.00 H new ATOM 0 HG2 GLN A 31 62.636 -32.032 22.727 1.00 0.00 H new ATOM 0 HG3 GLN A 31 63.387 -32.920 24.038 1.00 0.00 H new ATOM 0 HE21 GLN A 31 61.330 -33.152 21.167 1.00 0.00 H new ATOM 0 HE22 GLN A 31 61.425 -34.909 21.004 1.00 0.00 H new ATOM 496 N ALA A 32 58.968 -30.467 25.266 1.00 0.00 N ATOM 497 CA ALA A 32 58.010 -29.949 26.259 1.00 0.00 C ATOM 498 C ALA A 32 57.010 -28.967 25.600 1.00 0.00 C ATOM 499 O ALA A 32 56.578 -28.000 26.230 1.00 0.00 O ATOM 500 CB ALA A 32 58.794 -29.287 27.411 1.00 0.00 C ATOM 0 H ALA A 32 59.685 -29.790 25.004 1.00 0.00 H new ATOM 0 HA ALA A 32 57.419 -30.770 26.666 1.00 0.00 H new ATOM 0 HB1 ALA A 32 58.094 -28.900 28.152 1.00 0.00 H new ATOM 0 HB2 ALA A 32 59.446 -30.025 27.878 1.00 0.00 H new ATOM 0 HB3 ALA A 32 59.396 -28.468 27.018 1.00 0.00 H new ATOM 506 N LEU A 33 56.615 -29.277 24.338 1.00 0.00 N ATOM 507 CA LEU A 33 55.669 -28.453 23.516 1.00 0.00 C ATOM 508 C LEU A 33 54.341 -28.093 24.226 1.00 0.00 C ATOM 509 O LEU A 33 53.656 -27.148 23.824 1.00 0.00 O ATOM 510 CB LEU A 33 55.351 -29.142 22.150 1.00 0.00 C ATOM 511 CG LEU A 33 54.398 -30.390 22.147 1.00 0.00 C ATOM 512 CD1 LEU A 33 54.026 -30.804 20.707 1.00 0.00 C ATOM 513 CD2 LEU A 33 54.997 -31.588 22.915 1.00 0.00 C ATOM 0 H LEU A 33 56.943 -30.112 23.852 1.00 0.00 H new ATOM 0 HA LEU A 33 56.201 -27.516 23.352 1.00 0.00 H new ATOM 0 HB2 LEU A 33 54.915 -28.390 21.492 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.298 -29.446 21.703 1.00 0.00 H new ATOM 0 HG LEU A 33 53.490 -30.090 22.669 1.00 0.00 H new ATOM 0 HD11 LEU A 33 53.366 -31.671 20.737 1.00 0.00 H new ATOM 0 HD12 LEU A 33 53.518 -29.977 20.211 1.00 0.00 H new ATOM 0 HD13 LEU A 33 54.932 -31.057 20.156 1.00 0.00 H new ATOM 0 HD21 LEU A 33 54.300 -32.425 22.884 1.00 0.00 H new ATOM 0 HD22 LEU A 33 55.939 -31.882 22.452 1.00 0.00 H new ATOM 0 HD23 LEU A 33 55.175 -31.303 23.952 1.00 0.00 H new ATOM 525 N LEU A 34 53.968 -28.865 25.248 1.00 0.00 N ATOM 526 CA LEU A 34 52.822 -28.541 26.117 1.00 0.00 C ATOM 527 C LEU A 34 53.302 -28.470 27.569 1.00 0.00 C ATOM 528 O LEU A 34 52.944 -27.549 28.314 1.00 0.00 O ATOM 529 CB LEU A 34 51.696 -29.601 25.944 1.00 0.00 C ATOM 530 CG LEU A 34 51.064 -29.704 24.513 1.00 0.00 C ATOM 531 CD1 LEU A 34 49.999 -30.819 24.431 1.00 0.00 C ATOM 532 CD2 LEU A 34 50.468 -28.353 24.061 1.00 0.00 C ATOM 0 H LEU A 34 54.446 -29.730 25.501 1.00 0.00 H new ATOM 0 HA LEU A 34 52.406 -27.573 25.836 1.00 0.00 H new ATOM 0 HB2 LEU A 34 52.099 -30.577 26.213 1.00 0.00 H new ATOM 0 HB3 LEU A 34 50.901 -29.377 26.656 1.00 0.00 H new ATOM 0 HG LEU A 34 51.873 -29.967 23.831 1.00 0.00 H new ATOM 0 HD11 LEU A 34 49.587 -30.855 23.422 1.00 0.00 H new ATOM 0 HD12 LEU A 34 50.458 -31.778 24.671 1.00 0.00 H new ATOM 0 HD13 LEU A 34 49.199 -30.611 25.142 1.00 0.00 H new ATOM 0 HD21 LEU A 34 50.038 -28.460 23.065 1.00 0.00 H new ATOM 0 HD22 LEU A 34 49.691 -28.046 24.761 1.00 0.00 H new ATOM 0 HD23 LEU A 34 51.254 -27.598 24.038 1.00 0.00 H new ATOM 544 N GLY A 35 54.149 -29.440 27.942 1.00 0.00 N ATOM 545 CA GLY A 35 54.631 -29.574 29.311 1.00 0.00 C ATOM 546 C GLY A 35 53.533 -29.990 30.290 1.00 0.00 C ATOM 547 O GLY A 35 52.516 -30.566 29.866 1.00 0.00 O ATOM 0 H GLY A 35 54.513 -30.146 27.303 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.433 -30.311 29.338 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.059 -28.625 29.635 1.00 0.00 H new ATOM 551 N PRO A 36 53.696 -29.714 31.624 1.00 0.00 N ATOM 552 CA PRO A 36 52.636 -29.958 32.631 1.00 0.00 C ATOM 553 C PRO A 36 51.614 -28.791 32.706 1.00 0.00 C ATOM 554 O PRO A 36 50.699 -28.815 33.529 1.00 0.00 O ATOM 555 CB PRO A 36 53.456 -30.103 33.937 1.00 0.00 C ATOM 556 CG PRO A 36 54.599 -29.146 33.756 1.00 0.00 C ATOM 557 CD PRO A 36 54.934 -29.161 32.269 1.00 0.00 C ATOM 0 HA PRO A 36 52.017 -30.827 32.407 1.00 0.00 H new ATOM 0 HB2 PRO A 36 52.859 -29.851 34.813 1.00 0.00 H new ATOM 0 HB3 PRO A 36 53.809 -31.125 34.075 1.00 0.00 H new ATOM 0 HG2 PRO A 36 54.323 -28.143 34.083 1.00 0.00 H new ATOM 0 HG3 PRO A 36 55.459 -29.450 34.352 1.00 0.00 H new ATOM 0 HD2 PRO A 36 55.163 -28.161 31.901 1.00 0.00 H new ATOM 0 HD3 PRO A 36 55.804 -29.784 32.062 1.00 0.00 H new ATOM 565 N ASP A 37 51.783 -27.788 31.818 1.00 0.00 N ATOM 566 CA ASP A 37 50.973 -26.560 31.790 1.00 0.00 C ATOM 567 C ASP A 37 49.885 -26.663 30.701 1.00 0.00 C ATOM 568 O ASP A 37 48.690 -26.490 30.978 1.00 0.00 O ATOM 569 CB ASP A 37 51.912 -25.355 31.537 1.00 0.00 C ATOM 570 CG ASP A 37 51.179 -24.007 31.453 1.00 0.00 C ATOM 571 OD1 ASP A 37 50.757 -23.630 30.357 1.00 0.00 O ATOM 572 OD2 ASP A 37 51.025 -23.314 32.482 1.00 0.00 O ATOM 0 H ASP A 37 52.498 -27.813 31.091 1.00 0.00 H new ATOM 0 HA ASP A 37 50.466 -26.422 32.745 1.00 0.00 H new ATOM 0 HB2 ASP A 37 52.651 -25.307 32.337 1.00 0.00 H new ATOM 0 HB3 ASP A 37 52.458 -25.520 30.608 1.00 0.00 H new ATOM 577 N GLY A 38 50.321 -26.960 29.463 1.00 0.00 N ATOM 578 CA GLY A 38 49.415 -27.109 28.313 1.00 0.00 C ATOM 579 C GLY A 38 49.492 -25.970 27.294 1.00 0.00 C ATOM 580 O GLY A 38 48.936 -26.084 26.196 1.00 0.00 O ATOM 0 H GLY A 38 51.305 -27.102 29.234 1.00 0.00 H new ATOM 0 HA2 GLY A 38 49.641 -28.048 27.808 1.00 0.00 H new ATOM 0 HA3 GLY A 38 48.391 -27.183 28.680 1.00 0.00 H new ATOM 584 N LYS A 39 50.174 -24.859 27.640 1.00 0.00 N ATOM 585 CA LYS A 39 50.396 -23.731 26.702 1.00 0.00 C ATOM 586 C LYS A 39 51.764 -23.058 26.967 1.00 0.00 C ATOM 587 O LYS A 39 51.985 -22.466 28.019 1.00 0.00 O ATOM 588 CB LYS A 39 49.178 -22.730 26.724 1.00 0.00 C ATOM 589 CG LYS A 39 48.588 -22.336 28.115 1.00 0.00 C ATOM 590 CD LYS A 39 49.274 -21.115 28.771 1.00 0.00 C ATOM 591 CE LYS A 39 48.628 -20.707 30.105 1.00 0.00 C ATOM 592 NZ LYS A 39 48.666 -21.803 31.102 1.00 0.00 N ATOM 0 H LYS A 39 50.583 -24.716 28.563 1.00 0.00 H new ATOM 0 HA LYS A 39 50.443 -24.117 25.684 1.00 0.00 H new ATOM 0 HB2 LYS A 39 49.487 -21.815 26.219 1.00 0.00 H new ATOM 0 HB3 LYS A 39 48.375 -23.166 26.130 1.00 0.00 H new ATOM 0 HG2 LYS A 39 47.525 -22.123 27.999 1.00 0.00 H new ATOM 0 HG3 LYS A 39 48.671 -23.190 28.787 1.00 0.00 H new ATOM 0 HD2 LYS A 39 50.327 -21.343 28.938 1.00 0.00 H new ATOM 0 HD3 LYS A 39 49.236 -20.271 28.082 1.00 0.00 H new ATOM 0 HE2 LYS A 39 49.145 -19.835 30.506 1.00 0.00 H new ATOM 0 HE3 LYS A 39 47.593 -20.412 29.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 47.715 -22.211 31.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 49.326 -22.540 30.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 48.983 -21.428 32.019 1.00 0.00 H new ATOM 606 N VAL A 40 52.696 -23.214 26.006 1.00 0.00 N ATOM 607 CA VAL A 40 54.085 -22.697 26.098 1.00 0.00 C ATOM 608 C VAL A 40 54.591 -22.295 24.694 1.00 0.00 C ATOM 609 O VAL A 40 53.966 -22.641 23.689 1.00 0.00 O ATOM 610 CB VAL A 40 55.078 -23.771 26.711 1.00 0.00 C ATOM 611 CG1 VAL A 40 54.736 -24.151 28.174 1.00 0.00 C ATOM 612 CG2 VAL A 40 55.159 -25.030 25.823 1.00 0.00 C ATOM 0 H VAL A 40 52.508 -23.707 25.133 1.00 0.00 H new ATOM 0 HA VAL A 40 54.064 -21.831 26.759 1.00 0.00 H new ATOM 0 HB VAL A 40 56.059 -23.297 26.733 1.00 0.00 H new ATOM 0 HG11 VAL A 40 55.452 -24.889 28.535 1.00 0.00 H new ATOM 0 HG12 VAL A 40 54.784 -23.261 28.802 1.00 0.00 H new ATOM 0 HG13 VAL A 40 53.731 -24.570 28.216 1.00 0.00 H new ATOM 0 HG21 VAL A 40 55.848 -25.747 26.270 1.00 0.00 H new ATOM 0 HG22 VAL A 40 54.170 -25.480 25.739 1.00 0.00 H new ATOM 0 HG23 VAL A 40 55.517 -24.753 24.831 1.00 0.00 H new ATOM 622 N ILE A 41 55.720 -21.565 24.627 1.00 0.00 N ATOM 623 CA ILE A 41 56.397 -21.252 23.349 1.00 0.00 C ATOM 624 C ILE A 41 57.441 -22.351 23.036 1.00 0.00 C ATOM 625 O ILE A 41 58.352 -22.602 23.832 1.00 0.00 O ATOM 626 CB ILE A 41 57.082 -19.837 23.375 1.00 0.00 C ATOM 627 CG1 ILE A 41 56.031 -18.722 23.675 1.00 0.00 C ATOM 628 CG2 ILE A 41 57.807 -19.556 22.040 1.00 0.00 C ATOM 629 CD1 ILE A 41 56.582 -17.307 23.716 1.00 0.00 C ATOM 0 H ILE A 41 56.187 -21.178 25.447 1.00 0.00 H new ATOM 0 HA ILE A 41 55.641 -21.227 22.564 1.00 0.00 H new ATOM 0 HB ILE A 41 57.824 -19.832 24.174 1.00 0.00 H new ATOM 0 HG12 ILE A 41 55.249 -18.768 22.917 1.00 0.00 H new ATOM 0 HG13 ILE A 41 55.559 -18.939 24.633 1.00 0.00 H new ATOM 0 HG21 ILE A 41 58.274 -18.572 22.080 1.00 0.00 H new ATOM 0 HG22 ILE A 41 58.572 -20.314 21.875 1.00 0.00 H new ATOM 0 HG23 ILE A 41 57.087 -19.583 21.222 1.00 0.00 H new ATOM 0 HD11 ILE A 41 55.774 -16.608 23.931 1.00 0.00 H new ATOM 0 HD12 ILE A 41 57.341 -17.235 24.495 1.00 0.00 H new ATOM 0 HD13 ILE A 41 57.027 -17.062 22.752 1.00 0.00 H new ATOM 641 N ILE A 42 57.266 -23.007 21.885 1.00 0.00 N ATOM 642 CA ILE A 42 58.107 -24.116 21.413 1.00 0.00 C ATOM 643 C ILE A 42 59.399 -23.580 20.800 1.00 0.00 C ATOM 644 O ILE A 42 59.380 -22.952 19.734 1.00 0.00 O ATOM 645 CB ILE A 42 57.325 -25.009 20.362 1.00 0.00 C ATOM 646 CG1 ILE A 42 56.196 -25.852 21.026 1.00 0.00 C ATOM 647 CG2 ILE A 42 58.259 -25.954 19.565 1.00 0.00 C ATOM 648 CD1 ILE A 42 55.180 -25.082 21.838 1.00 0.00 C ATOM 0 H ILE A 42 56.514 -22.776 21.236 1.00 0.00 H new ATOM 0 HA ILE A 42 58.360 -24.741 22.269 1.00 0.00 H new ATOM 0 HB ILE A 42 56.876 -24.299 19.667 1.00 0.00 H new ATOM 0 HG12 ILE A 42 55.668 -26.396 20.243 1.00 0.00 H new ATOM 0 HG13 ILE A 42 56.659 -26.596 21.673 1.00 0.00 H new ATOM 0 HG21 ILE A 42 57.669 -26.540 18.861 1.00 0.00 H new ATOM 0 HG22 ILE A 42 58.994 -25.363 19.018 1.00 0.00 H new ATOM 0 HG23 ILE A 42 58.773 -26.624 20.254 1.00 0.00 H new ATOM 0 HD11 ILE A 42 54.445 -25.773 22.250 1.00 0.00 H new ATOM 0 HD12 ILE A 42 55.684 -24.560 22.652 1.00 0.00 H new ATOM 0 HD13 ILE A 42 54.677 -24.357 21.198 1.00 0.00 H new ATOM 660 N ASP A 43 60.503 -23.820 21.504 1.00 0.00 N ATOM 661 CA ASP A 43 61.843 -23.618 20.970 1.00 0.00 C ATOM 662 C ASP A 43 62.239 -24.860 20.148 1.00 0.00 C ATOM 663 O ASP A 43 61.991 -26.016 20.563 1.00 0.00 O ATOM 664 CB ASP A 43 62.886 -23.373 22.091 1.00 0.00 C ATOM 665 CG ASP A 43 64.290 -23.050 21.520 1.00 0.00 C ATOM 666 OD1 ASP A 43 64.558 -21.870 21.205 1.00 0.00 O ATOM 667 OD2 ASP A 43 65.124 -23.968 21.379 1.00 0.00 O ATOM 0 H ASP A 43 60.490 -24.162 22.465 1.00 0.00 H new ATOM 0 HA ASP A 43 61.832 -22.728 20.341 1.00 0.00 H new ATOM 0 HB2 ASP A 43 62.553 -22.549 22.722 1.00 0.00 H new ATOM 0 HB3 ASP A 43 62.948 -24.256 22.727 1.00 0.00 H new ATOM 672 N HIS A 44 62.852 -24.600 18.993 1.00 0.00 N ATOM 673 CA HIS A 44 63.273 -25.617 18.043 1.00 0.00 C ATOM 674 C HIS A 44 64.344 -25.028 17.113 1.00 0.00 C ATOM 675 O HIS A 44 64.025 -24.324 16.137 1.00 0.00 O ATOM 676 CB HIS A 44 62.050 -26.136 17.236 1.00 0.00 C ATOM 677 CG HIS A 44 62.386 -27.189 16.215 1.00 0.00 C ATOM 678 ND1 HIS A 44 62.356 -26.958 14.854 1.00 0.00 N ATOM 679 CD2 HIS A 44 62.768 -28.481 16.361 1.00 0.00 C ATOM 680 CE1 HIS A 44 62.717 -28.054 14.217 1.00 0.00 C ATOM 681 NE2 HIS A 44 62.973 -28.990 15.105 1.00 0.00 N ATOM 0 H HIS A 44 63.073 -23.652 18.689 1.00 0.00 H new ATOM 0 HA HIS A 44 63.702 -26.465 18.577 1.00 0.00 H new ATOM 0 HB2 HIS A 44 61.316 -26.542 17.932 1.00 0.00 H new ATOM 0 HB3 HIS A 44 61.578 -25.293 16.731 1.00 0.00 H new ATOM 0 HD2 HIS A 44 62.889 -29.011 17.294 1.00 0.00 H new ATOM 0 HE1 HIS A 44 62.790 -28.165 13.145 1.00 0.00 H new ATOM 0 HE2 HIS A 44 63.275 -29.941 14.893 1.00 0.00 H new ATOM 690 N ASN A 45 65.621 -25.274 17.477 1.00 0.00 N ATOM 691 CA ASN A 45 66.802 -24.947 16.648 1.00 0.00 C ATOM 692 C ASN A 45 66.961 -23.422 16.458 1.00 0.00 C ATOM 693 O ASN A 45 67.483 -22.957 15.435 1.00 0.00 O ATOM 694 CB ASN A 45 66.749 -25.710 15.285 1.00 0.00 C ATOM 695 CG ASN A 45 66.613 -27.242 15.426 1.00 0.00 C ATOM 696 OD1 ASN A 45 65.990 -27.901 14.591 1.00 0.00 O ATOM 697 ND2 ASN A 45 67.211 -27.823 16.464 1.00 0.00 N ATOM 0 H ASN A 45 65.864 -25.711 18.366 1.00 0.00 H new ATOM 0 HA ASN A 45 67.692 -25.286 17.178 1.00 0.00 H new ATOM 0 HB2 ASN A 45 65.908 -25.333 14.702 1.00 0.00 H new ATOM 0 HB3 ASN A 45 67.654 -25.487 14.720 1.00 0.00 H new ATOM 0 HD21 ASN A 45 67.159 -28.835 16.581 1.00 0.00 H new ATOM 0 HD22 ASN A 45 67.721 -27.256 17.142 1.00 0.00 H new ATOM 704 N GLY A 46 66.528 -22.650 17.478 1.00 0.00 N ATOM 705 CA GLY A 46 66.614 -21.187 17.441 1.00 0.00 C ATOM 706 C GLY A 46 65.310 -20.521 17.011 1.00 0.00 C ATOM 707 O GLY A 46 65.146 -19.306 17.190 1.00 0.00 O ATOM 0 H GLY A 46 66.117 -23.022 18.334 1.00 0.00 H new ATOM 0 HA2 GLY A 46 66.894 -20.820 18.429 1.00 0.00 H new ATOM 0 HA3 GLY A 46 67.409 -20.893 16.755 1.00 0.00 H new ATOM 711 N GLN A 47 64.385 -21.305 16.433 1.00 0.00 N ATOM 712 CA GLN A 47 63.035 -20.826 16.070 1.00 0.00 C ATOM 713 C GLN A 47 62.106 -20.997 17.276 1.00 0.00 C ATOM 714 O GLN A 47 62.233 -21.978 18.014 1.00 0.00 O ATOM 715 CB GLN A 47 62.479 -21.626 14.866 1.00 0.00 C ATOM 716 CG GLN A 47 63.333 -21.548 13.593 1.00 0.00 C ATOM 717 CD GLN A 47 62.778 -22.406 12.448 1.00 0.00 C ATOM 718 OE1 GLN A 47 61.979 -21.942 11.627 1.00 0.00 O ATOM 719 NE2 GLN A 47 63.199 -23.664 12.388 1.00 0.00 N ATOM 0 H GLN A 47 64.548 -22.285 16.204 1.00 0.00 H new ATOM 0 HA GLN A 47 63.092 -19.775 15.788 1.00 0.00 H new ATOM 0 HB2 GLN A 47 62.380 -22.672 15.157 1.00 0.00 H new ATOM 0 HB3 GLN A 47 61.477 -21.263 14.638 1.00 0.00 H new ATOM 0 HG2 GLN A 47 63.394 -20.510 13.266 1.00 0.00 H new ATOM 0 HG3 GLN A 47 64.349 -21.870 13.823 1.00 0.00 H new ATOM 0 HE21 GLN A 47 63.859 -24.015 13.082 1.00 0.00 H new ATOM 0 HE22 GLN A 47 62.862 -24.280 11.648 1.00 0.00 H new ATOM 728 N GLU A 48 61.184 -20.044 17.485 1.00 0.00 N ATOM 729 CA GLU A 48 60.198 -20.120 18.579 1.00 0.00 C ATOM 730 C GLU A 48 58.787 -19.884 18.027 1.00 0.00 C ATOM 731 O GLU A 48 58.584 -19.030 17.156 1.00 0.00 O ATOM 732 CB GLU A 48 60.548 -19.125 19.716 1.00 0.00 C ATOM 733 CG GLU A 48 60.401 -17.628 19.384 1.00 0.00 C ATOM 734 CD GLU A 48 60.764 -16.722 20.575 1.00 0.00 C ATOM 735 OE1 GLU A 48 59.928 -16.564 21.495 1.00 0.00 O ATOM 736 OE2 GLU A 48 61.892 -16.191 20.618 1.00 0.00 O ATOM 0 H GLU A 48 61.099 -19.207 16.908 1.00 0.00 H new ATOM 0 HA GLU A 48 60.229 -21.119 19.014 1.00 0.00 H new ATOM 0 HB2 GLU A 48 59.913 -19.349 20.574 1.00 0.00 H new ATOM 0 HB3 GLU A 48 61.577 -19.307 20.025 1.00 0.00 H new ATOM 0 HG2 GLU A 48 61.041 -17.382 18.536 1.00 0.00 H new ATOM 0 HG3 GLU A 48 59.375 -17.426 19.077 1.00 0.00 H new ATOM 743 N TYR A 49 57.816 -20.696 18.493 1.00 0.00 N ATOM 744 CA TYR A 49 56.401 -20.599 18.075 1.00 0.00 C ATOM 745 C TYR A 49 55.461 -21.112 19.184 1.00 0.00 C ATOM 746 O TYR A 49 55.589 -22.248 19.636 1.00 0.00 O ATOM 747 CB TYR A 49 56.148 -21.316 16.702 1.00 0.00 C ATOM 748 CG TYR A 49 57.067 -22.517 16.360 1.00 0.00 C ATOM 749 CD1 TYR A 49 58.258 -22.331 15.644 1.00 0.00 C ATOM 750 CD2 TYR A 49 56.715 -23.826 16.686 1.00 0.00 C ATOM 751 CE1 TYR A 49 59.074 -23.394 15.317 1.00 0.00 C ATOM 752 CE2 TYR A 49 57.533 -24.889 16.362 1.00 0.00 C ATOM 753 CZ TYR A 49 58.697 -24.671 15.659 1.00 0.00 C ATOM 754 OH TYR A 49 59.505 -25.726 15.326 1.00 0.00 O ATOM 0 H TYR A 49 57.990 -21.438 19.170 1.00 0.00 H new ATOM 0 HA TYR A 49 56.172 -19.545 17.918 1.00 0.00 H new ATOM 0 HB2 TYR A 49 55.115 -21.663 16.686 1.00 0.00 H new ATOM 0 HB3 TYR A 49 56.248 -20.575 15.909 1.00 0.00 H new ATOM 0 HD1 TYR A 49 58.543 -21.334 15.342 1.00 0.00 H new ATOM 0 HD2 TYR A 49 55.784 -24.012 17.202 1.00 0.00 H new ATOM 0 HE1 TYR A 49 60.004 -23.224 14.795 1.00 0.00 H new ATOM 0 HE2 TYR A 49 57.261 -25.891 16.659 1.00 0.00 H new ATOM 0 HH TYR A 49 59.098 -26.561 15.639 1.00 0.00 H new ATOM 764 N LEU A 50 54.505 -20.251 19.588 1.00 0.00 N ATOM 765 CA LEU A 50 53.571 -20.501 20.704 1.00 0.00 C ATOM 766 C LEU A 50 52.556 -21.589 20.305 1.00 0.00 C ATOM 767 O LEU A 50 51.868 -21.451 19.304 1.00 0.00 O ATOM 768 CB LEU A 50 52.886 -19.134 21.066 1.00 0.00 C ATOM 769 CG LEU A 50 51.797 -19.062 22.211 1.00 0.00 C ATOM 770 CD1 LEU A 50 50.396 -19.542 21.762 1.00 0.00 C ATOM 771 CD2 LEU A 50 52.251 -19.795 23.494 1.00 0.00 C ATOM 0 H LEU A 50 54.358 -19.347 19.140 1.00 0.00 H new ATOM 0 HA LEU A 50 54.091 -20.875 21.586 1.00 0.00 H new ATOM 0 HB2 LEU A 50 53.680 -18.436 21.332 1.00 0.00 H new ATOM 0 HB3 LEU A 50 52.421 -18.755 20.155 1.00 0.00 H new ATOM 0 HG LEU A 50 51.699 -18.002 22.446 1.00 0.00 H new ATOM 0 HD11 LEU A 50 49.700 -19.465 22.597 1.00 0.00 H new ATOM 0 HD12 LEU A 50 50.045 -18.920 20.939 1.00 0.00 H new ATOM 0 HD13 LEU A 50 50.455 -20.580 21.433 1.00 0.00 H new ATOM 0 HD21 LEU A 50 51.471 -19.719 24.252 1.00 0.00 H new ATOM 0 HD22 LEU A 50 52.435 -20.845 23.267 1.00 0.00 H new ATOM 0 HD23 LEU A 50 53.167 -19.339 23.869 1.00 0.00 H new ATOM 783 N LEU A 51 52.491 -22.673 21.087 1.00 0.00 N ATOM 784 CA LEU A 51 51.422 -23.678 20.991 1.00 0.00 C ATOM 785 C LEU A 51 50.606 -23.614 22.264 1.00 0.00 C ATOM 786 O LEU A 51 51.158 -23.673 23.375 1.00 0.00 O ATOM 787 CB LEU A 51 51.976 -25.110 20.790 1.00 0.00 C ATOM 788 CG LEU A 51 50.929 -26.257 20.629 1.00 0.00 C ATOM 789 CD1 LEU A 51 50.001 -26.002 19.428 1.00 0.00 C ATOM 790 CD2 LEU A 51 51.623 -27.632 20.505 1.00 0.00 C ATOM 0 H LEU A 51 53.182 -22.880 21.809 1.00 0.00 H new ATOM 0 HA LEU A 51 50.809 -23.454 20.118 1.00 0.00 H new ATOM 0 HB2 LEU A 51 52.613 -25.106 19.906 1.00 0.00 H new ATOM 0 HB3 LEU A 51 52.613 -25.350 21.641 1.00 0.00 H new ATOM 0 HG LEU A 51 50.315 -26.269 21.529 1.00 0.00 H new ATOM 0 HD11 LEU A 51 49.284 -26.818 19.343 1.00 0.00 H new ATOM 0 HD12 LEU A 51 49.467 -25.063 19.574 1.00 0.00 H new ATOM 0 HD13 LEU A 51 50.594 -25.944 18.516 1.00 0.00 H new ATOM 0 HD21 LEU A 51 50.869 -28.411 20.394 1.00 0.00 H new ATOM 0 HD22 LEU A 51 52.276 -27.632 19.633 1.00 0.00 H new ATOM 0 HD23 LEU A 51 52.214 -27.823 21.401 1.00 0.00 H new ATOM 802 N ARG A 52 49.301 -23.472 22.103 1.00 0.00 N ATOM 803 CA ARG A 52 48.371 -23.418 23.221 1.00 0.00 C ATOM 804 C ARG A 52 47.242 -24.424 23.005 1.00 0.00 C ATOM 805 O ARG A 52 46.714 -24.555 21.894 1.00 0.00 O ATOM 806 CB ARG A 52 47.821 -21.981 23.386 1.00 0.00 C ATOM 807 CG ARG A 52 47.086 -21.426 22.151 1.00 0.00 C ATOM 808 CD ARG A 52 46.629 -19.971 22.314 1.00 0.00 C ATOM 809 NE ARG A 52 45.606 -19.814 23.362 1.00 0.00 N ATOM 810 CZ ARG A 52 45.107 -18.637 23.785 1.00 0.00 C ATOM 811 NH1 ARG A 52 45.565 -17.475 23.296 1.00 0.00 N ATOM 812 NH2 ARG A 52 44.173 -18.623 24.720 1.00 0.00 N ATOM 0 H ARG A 52 48.854 -23.391 21.190 1.00 0.00 H new ATOM 0 HA ARG A 52 48.892 -23.685 24.140 1.00 0.00 H new ATOM 0 HB2 ARG A 52 47.139 -21.963 24.236 1.00 0.00 H new ATOM 0 HB3 ARG A 52 48.649 -21.315 23.628 1.00 0.00 H new ATOM 0 HG2 ARG A 52 47.743 -21.497 21.284 1.00 0.00 H new ATOM 0 HG3 ARG A 52 46.217 -22.051 21.944 1.00 0.00 H new ATOM 0 HD2 ARG A 52 47.490 -19.348 22.556 1.00 0.00 H new ATOM 0 HD3 ARG A 52 46.231 -19.610 21.366 1.00 0.00 H new ATOM 0 HE ARG A 52 45.248 -20.662 23.801 1.00 0.00 H new ATOM 0 HH11 ARG A 52 46.303 -17.473 22.592 1.00 0.00 H new ATOM 0 HH12 ARG A 52 45.175 -16.593 23.628 1.00 0.00 H new ATOM 0 HH21 ARG A 52 43.835 -19.500 25.116 1.00 0.00 H new ATOM 0 HH22 ARG A 52 43.790 -17.735 25.045 1.00 0.00 H new ATOM 826 N LYS A 53 46.910 -25.155 24.075 1.00 0.00 N ATOM 827 CA LYS A 53 45.685 -25.946 24.129 1.00 0.00 C ATOM 828 C LYS A 53 44.515 -24.987 24.362 1.00 0.00 C ATOM 829 O LYS A 53 44.306 -24.521 25.493 1.00 0.00 O ATOM 830 CB LYS A 53 45.771 -27.010 25.259 1.00 0.00 C ATOM 831 CG LYS A 53 46.748 -28.170 24.975 1.00 0.00 C ATOM 832 CD LYS A 53 46.975 -29.114 26.185 1.00 0.00 C ATOM 833 CE LYS A 53 45.716 -29.881 26.630 1.00 0.00 C ATOM 834 NZ LYS A 53 44.730 -29.027 27.351 1.00 0.00 N ATOM 0 H LYS A 53 47.480 -25.212 24.919 1.00 0.00 H new ATOM 0 HA LYS A 53 45.540 -26.484 23.192 1.00 0.00 H new ATOM 0 HB2 LYS A 53 46.072 -26.516 26.183 1.00 0.00 H new ATOM 0 HB3 LYS A 53 44.776 -27.423 25.428 1.00 0.00 H new ATOM 0 HG2 LYS A 53 46.368 -28.755 24.137 1.00 0.00 H new ATOM 0 HG3 LYS A 53 47.708 -27.756 24.665 1.00 0.00 H new ATOM 0 HD2 LYS A 53 47.754 -29.833 25.930 1.00 0.00 H new ATOM 0 HD3 LYS A 53 47.346 -28.527 27.025 1.00 0.00 H new ATOM 0 HE2 LYS A 53 45.236 -30.317 25.754 1.00 0.00 H new ATOM 0 HE3 LYS A 53 46.012 -30.707 27.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 44.413 -29.515 28.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 45.176 -28.124 27.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 43.912 -28.846 26.735 1.00 0.00 H new ATOM 848 N THR A 54 43.802 -24.640 23.275 1.00 0.00 N ATOM 849 CA THR A 54 42.632 -23.760 23.347 1.00 0.00 C ATOM 850 C THR A 54 41.534 -24.470 24.152 1.00 0.00 C ATOM 851 O THR A 54 41.338 -25.692 23.983 1.00 0.00 O ATOM 852 CB THR A 54 42.093 -23.389 21.920 1.00 0.00 C ATOM 853 OG1 THR A 54 41.478 -24.518 21.286 1.00 0.00 O ATOM 854 CG2 THR A 54 43.216 -22.876 21.014 1.00 0.00 C ATOM 0 H THR A 54 44.022 -24.961 22.332 1.00 0.00 H new ATOM 0 HA THR A 54 42.925 -22.830 23.835 1.00 0.00 H new ATOM 0 HB THR A 54 41.353 -22.602 22.063 1.00 0.00 H new ATOM 0 HG1 THR A 54 40.921 -24.211 20.540 1.00 0.00 H new ATOM 0 HG21 THR A 54 42.808 -22.628 20.034 1.00 0.00 H new ATOM 0 HG22 THR A 54 43.663 -21.986 21.457 1.00 0.00 H new ATOM 0 HG23 THR A 54 43.977 -23.648 20.906 1.00 0.00 H new ATOM 862 N GLN A 55 40.843 -23.713 25.023 1.00 0.00 N ATOM 863 CA GLN A 55 39.750 -24.241 25.873 1.00 0.00 C ATOM 864 C GLN A 55 38.503 -24.609 25.033 1.00 0.00 C ATOM 865 O GLN A 55 37.544 -25.176 25.556 1.00 0.00 O ATOM 866 CB GLN A 55 39.398 -23.223 26.995 1.00 0.00 C ATOM 867 CG GLN A 55 40.571 -22.914 27.955 1.00 0.00 C ATOM 868 CD GLN A 55 40.210 -21.916 29.063 1.00 0.00 C ATOM 869 OE1 GLN A 55 39.337 -21.063 28.889 1.00 0.00 O ATOM 870 NE2 GLN A 55 40.880 -22.004 30.203 1.00 0.00 N ATOM 0 H GLN A 55 41.023 -22.718 25.161 1.00 0.00 H new ATOM 0 HA GLN A 55 40.100 -25.160 26.343 1.00 0.00 H new ATOM 0 HB2 GLN A 55 39.063 -22.293 26.536 1.00 0.00 H new ATOM 0 HB3 GLN A 55 38.561 -23.612 27.574 1.00 0.00 H new ATOM 0 HG2 GLN A 55 40.911 -23.844 28.411 1.00 0.00 H new ATOM 0 HG3 GLN A 55 41.407 -22.518 27.378 1.00 0.00 H new ATOM 0 HE21 GLN A 55 41.597 -22.720 30.319 1.00 0.00 H new ATOM 0 HE22 GLN A 55 40.678 -21.356 30.964 1.00 0.00 H new ATOM 879 N ALA A 56 38.548 -24.292 23.720 1.00 0.00 N ATOM 880 CA ALA A 56 37.612 -24.819 22.711 1.00 0.00 C ATOM 881 C ALA A 56 37.771 -26.356 22.534 1.00 0.00 C ATOM 882 O ALA A 56 36.904 -27.020 21.955 1.00 0.00 O ATOM 883 CB ALA A 56 37.848 -24.102 21.374 1.00 0.00 C ATOM 0 H ALA A 56 39.244 -23.656 23.330 1.00 0.00 H new ATOM 0 HA ALA A 56 36.594 -24.632 23.054 1.00 0.00 H new ATOM 0 HB1 ALA A 56 37.157 -24.490 20.626 1.00 0.00 H new ATOM 0 HB2 ALA A 56 37.682 -23.032 21.501 1.00 0.00 H new ATOM 0 HB3 ALA A 56 38.873 -24.274 21.045 1.00 0.00 H new ATOM 889 N GLY A 57 38.894 -26.892 23.063 1.00 0.00 N ATOM 890 CA GLY A 57 39.232 -28.311 22.998 1.00 0.00 C ATOM 891 C GLY A 57 40.149 -28.625 21.829 1.00 0.00 C ATOM 892 O GLY A 57 40.095 -29.720 21.259 1.00 0.00 O ATOM 0 H GLY A 57 39.594 -26.333 23.552 1.00 0.00 H new ATOM 0 HA2 GLY A 57 39.715 -28.612 23.928 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.318 -28.898 22.909 1.00 0.00 H new ATOM 896 N LYS A 58 41.031 -27.662 21.493 1.00 0.00 N ATOM 897 CA LYS A 58 41.902 -27.747 20.293 1.00 0.00 C ATOM 898 C LYS A 58 43.325 -27.270 20.620 1.00 0.00 C ATOM 899 O LYS A 58 43.652 -26.999 21.772 1.00 0.00 O ATOM 900 CB LYS A 58 41.305 -26.899 19.125 1.00 0.00 C ATOM 901 CG LYS A 58 39.964 -27.411 18.558 1.00 0.00 C ATOM 902 CD LYS A 58 39.430 -26.531 17.402 1.00 0.00 C ATOM 903 CE LYS A 58 39.124 -25.088 17.835 1.00 0.00 C ATOM 904 NZ LYS A 58 38.648 -24.249 16.692 1.00 0.00 N ATOM 0 H LYS A 58 41.163 -26.809 22.037 1.00 0.00 H new ATOM 0 HA LYS A 58 41.950 -28.790 19.980 1.00 0.00 H new ATOM 0 HB2 LYS A 58 41.166 -25.876 19.475 1.00 0.00 H new ATOM 0 HB3 LYS A 58 42.033 -26.863 18.315 1.00 0.00 H new ATOM 0 HG2 LYS A 58 40.091 -28.433 18.202 1.00 0.00 H new ATOM 0 HG3 LYS A 58 39.224 -27.442 19.358 1.00 0.00 H new ATOM 0 HD2 LYS A 58 40.164 -26.514 16.597 1.00 0.00 H new ATOM 0 HD3 LYS A 58 38.524 -26.983 16.998 1.00 0.00 H new ATOM 0 HE2 LYS A 58 38.366 -25.098 18.618 1.00 0.00 H new ATOM 0 HE3 LYS A 58 40.020 -24.641 18.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 38.453 -23.284 17.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 39.381 -24.218 15.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 37.778 -24.661 16.298 1.00 0.00 H new ATOM 918 N LEU A 59 44.167 -27.213 19.573 1.00 0.00 N ATOM 919 CA LEU A 59 45.525 -26.624 19.614 1.00 0.00 C ATOM 920 C LEU A 59 45.565 -25.345 18.754 1.00 0.00 C ATOM 921 O LEU A 59 44.715 -25.158 17.874 1.00 0.00 O ATOM 922 CB LEU A 59 46.571 -27.655 19.104 1.00 0.00 C ATOM 923 CG LEU A 59 46.866 -28.860 20.046 1.00 0.00 C ATOM 924 CD1 LEU A 59 47.809 -29.874 19.372 1.00 0.00 C ATOM 925 CD2 LEU A 59 47.455 -28.391 21.392 1.00 0.00 C ATOM 0 H LEU A 59 43.921 -27.582 18.654 1.00 0.00 H new ATOM 0 HA LEU A 59 45.771 -26.363 20.643 1.00 0.00 H new ATOM 0 HB2 LEU A 59 46.228 -28.045 18.146 1.00 0.00 H new ATOM 0 HB3 LEU A 59 47.507 -27.129 18.917 1.00 0.00 H new ATOM 0 HG LEU A 59 45.916 -29.355 20.246 1.00 0.00 H new ATOM 0 HD11 LEU A 59 47.997 -30.704 20.053 1.00 0.00 H new ATOM 0 HD12 LEU A 59 47.346 -30.251 18.460 1.00 0.00 H new ATOM 0 HD13 LEU A 59 48.752 -29.386 19.126 1.00 0.00 H new ATOM 0 HD21 LEU A 59 47.649 -29.256 22.026 1.00 0.00 H new ATOM 0 HD22 LEU A 59 48.387 -27.855 21.214 1.00 0.00 H new ATOM 0 HD23 LEU A 59 46.745 -27.730 21.889 1.00 0.00 H new ATOM 937 N LEU A 60 46.550 -24.467 19.013 1.00 0.00 N ATOM 938 CA LEU A 60 46.763 -23.241 18.219 1.00 0.00 C ATOM 939 C LEU A 60 48.269 -22.931 18.173 1.00 0.00 C ATOM 940 O LEU A 60 48.853 -22.537 19.193 1.00 0.00 O ATOM 941 CB LEU A 60 45.969 -22.057 18.832 1.00 0.00 C ATOM 942 CG LEU A 60 45.622 -20.872 17.887 1.00 0.00 C ATOM 943 CD1 LEU A 60 44.631 -21.312 16.796 1.00 0.00 C ATOM 944 CD2 LEU A 60 45.063 -19.679 18.689 1.00 0.00 C ATOM 0 H LEU A 60 47.218 -24.585 19.774 1.00 0.00 H new ATOM 0 HA LEU A 60 46.399 -23.392 17.203 1.00 0.00 H new ATOM 0 HB2 LEU A 60 45.037 -22.449 19.239 1.00 0.00 H new ATOM 0 HB3 LEU A 60 46.543 -21.664 19.671 1.00 0.00 H new ATOM 0 HG LEU A 60 46.541 -20.550 17.396 1.00 0.00 H new ATOM 0 HD11 LEU A 60 44.404 -20.466 16.148 1.00 0.00 H new ATOM 0 HD12 LEU A 60 45.073 -22.114 16.204 1.00 0.00 H new ATOM 0 HD13 LEU A 60 43.712 -21.669 17.261 1.00 0.00 H new ATOM 0 HD21 LEU A 60 44.827 -18.861 18.008 1.00 0.00 H new ATOM 0 HD22 LEU A 60 44.159 -19.986 19.215 1.00 0.00 H new ATOM 0 HD23 LEU A 60 45.808 -19.346 19.412 1.00 0.00 H new ATOM 956 N LEU A 61 48.895 -23.182 17.014 1.00 0.00 N ATOM 957 CA LEU A 61 50.330 -22.941 16.789 1.00 0.00 C ATOM 958 C LEU A 61 50.475 -21.606 16.038 1.00 0.00 C ATOM 959 O LEU A 61 50.233 -21.531 14.828 1.00 0.00 O ATOM 960 CB LEU A 61 50.945 -24.145 16.005 1.00 0.00 C ATOM 961 CG LEU A 61 52.510 -24.308 16.002 1.00 0.00 C ATOM 962 CD1 LEU A 61 53.226 -23.270 15.115 1.00 0.00 C ATOM 963 CD2 LEU A 61 53.072 -24.280 17.440 1.00 0.00 C ATOM 0 H LEU A 61 48.416 -23.562 16.198 1.00 0.00 H new ATOM 0 HA LEU A 61 50.877 -22.866 17.729 1.00 0.00 H new ATOM 0 HB2 LEU A 61 50.516 -25.061 16.411 1.00 0.00 H new ATOM 0 HB3 LEU A 61 50.616 -24.071 14.969 1.00 0.00 H new ATOM 0 HG LEU A 61 52.714 -25.284 15.563 1.00 0.00 H new ATOM 0 HD11 LEU A 61 54.302 -23.437 15.156 1.00 0.00 H new ATOM 0 HD12 LEU A 61 52.882 -23.372 14.086 1.00 0.00 H new ATOM 0 HD13 LEU A 61 53.000 -22.266 15.475 1.00 0.00 H new ATOM 0 HD21 LEU A 61 54.156 -24.395 17.409 1.00 0.00 H new ATOM 0 HD22 LEU A 61 52.821 -23.329 17.910 1.00 0.00 H new ATOM 0 HD23 LEU A 61 52.637 -25.096 18.017 1.00 0.00 H new ATOM 975 N THR A 62 50.828 -20.553 16.783 1.00 0.00 N ATOM 976 CA THR A 62 50.999 -19.196 16.257 1.00 0.00 C ATOM 977 C THR A 62 52.445 -18.712 16.502 1.00 0.00 C ATOM 978 O THR A 62 52.972 -18.875 17.607 1.00 0.00 O ATOM 979 CB THR A 62 49.985 -18.218 16.944 1.00 0.00 C ATOM 980 OG1 THR A 62 50.157 -18.258 18.373 1.00 0.00 O ATOM 981 CG2 THR A 62 48.523 -18.572 16.610 1.00 0.00 C ATOM 0 H THR A 62 51.006 -20.622 17.785 1.00 0.00 H new ATOM 0 HA THR A 62 50.805 -19.209 15.184 1.00 0.00 H new ATOM 0 HB THR A 62 50.192 -17.219 16.561 1.00 0.00 H new ATOM 0 HG1 THR A 62 49.522 -17.643 18.796 1.00 0.00 H new ATOM 0 HG21 THR A 62 47.856 -17.868 17.107 1.00 0.00 H new ATOM 0 HG22 THR A 62 48.372 -18.515 15.532 1.00 0.00 H new ATOM 0 HG23 THR A 62 48.306 -19.583 16.954 1.00 0.00 H new ATOM 989 N LYS A 63 53.085 -18.145 15.464 1.00 0.00 N ATOM 990 CA LYS A 63 54.398 -17.483 15.595 1.00 0.00 C ATOM 991 C LYS A 63 54.169 -16.022 16.082 1.00 0.00 C ATOM 992 O LYS A 63 53.957 -15.119 15.239 1.00 0.00 O ATOM 993 CB LYS A 63 55.214 -17.517 14.247 1.00 0.00 C ATOM 994 CG LYS A 63 55.746 -18.901 13.805 1.00 0.00 C ATOM 995 CD LYS A 63 54.651 -19.861 13.300 1.00 0.00 C ATOM 996 CE LYS A 63 55.229 -21.224 12.889 1.00 0.00 C ATOM 997 NZ LYS A 63 56.288 -21.125 11.848 1.00 0.00 N ATOM 998 OXT LYS A 63 54.173 -15.789 17.307 1.00 0.00 O ATOM 0 H LYS A 63 52.710 -18.132 14.515 1.00 0.00 H new ATOM 0 HA LYS A 63 54.998 -18.025 16.326 1.00 0.00 H new ATOM 0 HB2 LYS A 63 54.580 -17.124 13.452 1.00 0.00 H new ATOM 0 HB3 LYS A 63 56.062 -16.839 14.343 1.00 0.00 H new ATOM 0 HG2 LYS A 63 56.484 -18.760 13.015 1.00 0.00 H new ATOM 0 HG3 LYS A 63 56.263 -19.365 14.645 1.00 0.00 H new ATOM 0 HD2 LYS A 63 53.905 -20.004 14.082 1.00 0.00 H new ATOM 0 HD3 LYS A 63 54.139 -19.412 12.449 1.00 0.00 H new ATOM 0 HE2 LYS A 63 55.640 -21.717 13.770 1.00 0.00 H new ATOM 0 HE3 LYS A 63 54.422 -21.856 12.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 56.528 -22.077 11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 55.942 -20.549 11.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 57.135 -20.680 12.256 1.00 0.00 H new