USER MOD reduce.3.24.130724 H: found=0, std=0, add=338, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 339 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 ASN : amide:sc= 0.0974 K(o=2.6,f=0.73!) USER MOD Set 1.2: A 30 SER OG : rot -136:sc= 1.35 USER MOD Set 1.3: A 44 HIS : no HD1:sc= 1.11 K(o=2.6,f=-2.8) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 151:sc= 1.26 (180deg=0.429) USER MOD Single : A 45 ASN : amide:sc= 0.104 X(o=0.1,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -138:sc= -1.15 (180deg=-3.49!) USER MOD Single : A 54 THR OG1 : rot 156:sc= -0.327 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -20:sc= 0.207 USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= -0.0336 (180deg=-0.16) USER MOD ----------------------------------------------------------------- ATOM 355 N ALA A 23 49.805 -15.864 26.021 1.00 0.00 N ATOM 356 CA ALA A 23 49.416 -17.087 26.759 1.00 0.00 C ATOM 357 C ALA A 23 50.467 -17.486 27.816 1.00 0.00 C ATOM 358 O ALA A 23 50.127 -17.735 28.977 1.00 0.00 O ATOM 359 CB ALA A 23 49.176 -18.242 25.774 1.00 0.00 C ATOM 0 HA ALA A 23 48.491 -16.871 27.293 1.00 0.00 H new ATOM 0 HB1 ALA A 23 48.890 -19.137 26.326 1.00 0.00 H new ATOM 0 HB2 ALA A 23 48.377 -17.971 25.083 1.00 0.00 H new ATOM 0 HB3 ALA A 23 50.090 -18.438 25.213 1.00 0.00 H new ATOM 365 N ALA A 24 51.738 -17.487 27.387 1.00 0.00 N ATOM 366 CA ALA A 24 52.894 -17.817 28.235 1.00 0.00 C ATOM 367 C ALA A 24 54.189 -17.430 27.507 1.00 0.00 C ATOM 368 O ALA A 24 54.292 -17.635 26.297 1.00 0.00 O ATOM 369 CB ALA A 24 52.906 -19.322 28.584 1.00 0.00 C ATOM 0 H ALA A 24 51.996 -17.255 26.428 1.00 0.00 H new ATOM 0 HA ALA A 24 52.820 -17.255 29.166 1.00 0.00 H new ATOM 0 HB1 ALA A 24 53.769 -19.543 29.212 1.00 0.00 H new ATOM 0 HB2 ALA A 24 51.992 -19.578 29.120 1.00 0.00 H new ATOM 0 HB3 ALA A 24 52.965 -19.908 27.667 1.00 0.00 H new ATOM 375 N GLU A 25 55.181 -16.879 28.243 1.00 0.00 N ATOM 376 CA GLU A 25 56.550 -16.675 27.705 1.00 0.00 C ATOM 377 C GLU A 25 57.450 -17.872 28.110 1.00 0.00 C ATOM 378 O GLU A 25 58.677 -17.774 28.146 1.00 0.00 O ATOM 379 CB GLU A 25 57.150 -15.294 28.140 1.00 0.00 C ATOM 380 CG GLU A 25 57.634 -15.148 29.604 1.00 0.00 C ATOM 381 CD GLU A 25 56.519 -15.205 30.652 1.00 0.00 C ATOM 382 OE1 GLU A 25 55.868 -14.168 30.918 1.00 0.00 O ATOM 383 OE2 GLU A 25 56.271 -16.294 31.207 1.00 0.00 O ATOM 0 H GLU A 25 55.062 -16.568 29.207 1.00 0.00 H new ATOM 0 HA GLU A 25 56.500 -16.641 26.617 1.00 0.00 H new ATOM 0 HB2 GLU A 25 57.993 -15.073 27.485 1.00 0.00 H new ATOM 0 HB3 GLU A 25 56.396 -14.528 27.958 1.00 0.00 H new ATOM 0 HG2 GLU A 25 58.354 -15.938 29.815 1.00 0.00 H new ATOM 0 HG3 GLU A 25 58.162 -14.200 29.706 1.00 0.00 H new ATOM 390 N ARG A 26 56.784 -19.024 28.355 1.00 0.00 N ATOM 391 CA ARG A 26 57.397 -20.304 28.757 1.00 0.00 C ATOM 392 C ARG A 26 58.185 -20.916 27.568 1.00 0.00 C ATOM 393 O ARG A 26 57.694 -21.793 26.855 1.00 0.00 O ATOM 394 CB ARG A 26 56.238 -21.235 29.252 1.00 0.00 C ATOM 395 CG ARG A 26 56.620 -22.631 29.789 1.00 0.00 C ATOM 396 CD ARG A 26 57.376 -22.612 31.123 1.00 0.00 C ATOM 397 NE ARG A 26 57.334 -23.934 31.776 1.00 0.00 N ATOM 398 CZ ARG A 26 58.372 -24.595 32.309 1.00 0.00 C ATOM 399 NH1 ARG A 26 59.603 -24.119 32.226 1.00 0.00 N ATOM 400 NH2 ARG A 26 58.164 -25.753 32.922 1.00 0.00 N ATOM 0 H ARG A 26 55.769 -19.086 28.274 1.00 0.00 H new ATOM 0 HA ARG A 26 58.119 -20.169 29.563 1.00 0.00 H new ATOM 0 HB2 ARG A 26 55.698 -20.709 30.039 1.00 0.00 H new ATOM 0 HB3 ARG A 26 55.542 -21.373 28.425 1.00 0.00 H new ATOM 0 HG2 ARG A 26 55.712 -23.222 29.908 1.00 0.00 H new ATOM 0 HG3 ARG A 26 57.234 -23.138 29.045 1.00 0.00 H new ATOM 0 HD2 ARG A 26 58.412 -22.320 30.953 1.00 0.00 H new ATOM 0 HD3 ARG A 26 56.937 -21.863 31.782 1.00 0.00 H new ATOM 0 HE ARG A 26 56.424 -24.391 31.827 1.00 0.00 H new ATOM 0 HH11 ARG A 26 59.776 -23.234 31.750 1.00 0.00 H new ATOM 0 HH12 ARG A 26 60.379 -24.637 32.638 1.00 0.00 H new ATOM 0 HH21 ARG A 26 57.220 -26.134 32.985 1.00 0.00 H new ATOM 0 HH22 ARG A 26 58.948 -26.262 33.330 1.00 0.00 H new ATOM 414 N ARG A 27 59.399 -20.381 27.334 1.00 0.00 N ATOM 415 CA ARG A 27 60.253 -20.780 26.201 1.00 0.00 C ATOM 416 C ARG A 27 61.005 -22.075 26.548 1.00 0.00 C ATOM 417 O ARG A 27 62.079 -22.048 27.160 1.00 0.00 O ATOM 418 CB ARG A 27 61.229 -19.633 25.840 1.00 0.00 C ATOM 419 CG ARG A 27 60.531 -18.327 25.410 1.00 0.00 C ATOM 420 CD ARG A 27 61.499 -17.143 25.273 1.00 0.00 C ATOM 421 NE ARG A 27 62.531 -17.353 24.234 1.00 0.00 N ATOM 422 CZ ARG A 27 63.863 -17.351 24.435 1.00 0.00 C ATOM 423 NH1 ARG A 27 64.373 -17.248 25.653 1.00 0.00 N ATOM 424 NH2 ARG A 27 64.669 -17.472 23.404 1.00 0.00 N ATOM 0 H ARG A 27 59.814 -19.661 27.925 1.00 0.00 H new ATOM 0 HA ARG A 27 59.633 -20.974 25.326 1.00 0.00 H new ATOM 0 HB2 ARG A 27 61.865 -19.427 26.701 1.00 0.00 H new ATOM 0 HB3 ARG A 27 61.882 -19.966 25.034 1.00 0.00 H new ATOM 0 HG2 ARG A 27 60.027 -18.488 24.457 1.00 0.00 H new ATOM 0 HG3 ARG A 27 59.761 -18.076 26.140 1.00 0.00 H new ATOM 0 HD2 ARG A 27 60.931 -16.243 25.036 1.00 0.00 H new ATOM 0 HD3 ARG A 27 61.988 -16.968 26.232 1.00 0.00 H new ATOM 0 HE ARG A 27 62.205 -17.514 23.281 1.00 0.00 H new ATOM 0 HH11 ARG A 27 63.754 -17.168 26.460 1.00 0.00 H new ATOM 0 HH12 ARG A 27 65.385 -17.248 25.784 1.00 0.00 H new ATOM 0 HH21 ARG A 27 64.284 -17.566 22.464 1.00 0.00 H new ATOM 0 HH22 ARG A 27 65.679 -17.472 23.544 1.00 0.00 H new ATOM 438 N VAL A 28 60.381 -23.212 26.198 1.00 0.00 N ATOM 439 CA VAL A 28 60.902 -24.573 26.460 1.00 0.00 C ATOM 440 C VAL A 28 61.026 -25.339 25.137 1.00 0.00 C ATOM 441 O VAL A 28 60.298 -25.047 24.184 1.00 0.00 O ATOM 442 CB VAL A 28 59.972 -25.373 27.461 1.00 0.00 C ATOM 443 CG1 VAL A 28 60.019 -24.758 28.881 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.520 -25.438 26.941 1.00 0.00 C ATOM 0 H VAL A 28 59.482 -23.216 25.715 1.00 0.00 H new ATOM 0 HA VAL A 28 61.883 -24.475 26.925 1.00 0.00 H new ATOM 0 HB VAL A 28 60.354 -26.392 27.522 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.371 -25.328 29.546 1.00 0.00 H new ATOM 0 HG12 VAL A 28 61.042 -24.788 29.257 1.00 0.00 H new ATOM 0 HG13 VAL A 28 59.678 -23.724 28.841 1.00 0.00 H new ATOM 0 HG21 VAL A 28 57.905 -25.993 27.649 1.00 0.00 H new ATOM 0 HG22 VAL A 28 58.127 -24.427 26.833 1.00 0.00 H new ATOM 0 HG23 VAL A 28 58.502 -25.940 25.973 1.00 0.00 H new ATOM 454 N ASN A 29 61.942 -26.330 25.096 1.00 0.00 N ATOM 455 CA ASN A 29 62.203 -27.153 23.895 1.00 0.00 C ATOM 456 C ASN A 29 60.926 -27.922 23.455 1.00 0.00 C ATOM 457 O ASN A 29 60.026 -28.159 24.265 1.00 0.00 O ATOM 458 CB ASN A 29 63.391 -28.122 24.167 1.00 0.00 C ATOM 459 CG ASN A 29 63.815 -28.992 22.972 1.00 0.00 C ATOM 460 OD1 ASN A 29 63.664 -28.608 21.812 1.00 0.00 O ATOM 461 ND2 ASN A 29 64.362 -30.167 23.242 1.00 0.00 N ATOM 0 H ASN A 29 62.522 -26.582 25.896 1.00 0.00 H new ATOM 0 HA ASN A 29 62.479 -26.496 23.070 1.00 0.00 H new ATOM 0 HB2 ASN A 29 64.250 -27.535 24.491 1.00 0.00 H new ATOM 0 HB3 ASN A 29 63.122 -28.777 24.995 1.00 0.00 H new ATOM 0 HD21 ASN A 29 64.668 -30.774 22.481 1.00 0.00 H new ATOM 0 HD22 ASN A 29 64.478 -30.465 24.211 1.00 0.00 H new ATOM 468 N SER A 30 60.878 -28.269 22.160 1.00 0.00 N ATOM 469 CA SER A 30 59.738 -28.928 21.492 1.00 0.00 C ATOM 470 C SER A 30 59.208 -30.206 22.196 1.00 0.00 C ATOM 471 O SER A 30 58.046 -30.551 22.016 1.00 0.00 O ATOM 472 CB SER A 30 60.161 -29.243 20.041 1.00 0.00 C ATOM 473 OG SER A 30 61.368 -29.998 20.008 1.00 0.00 O ATOM 0 H SER A 30 61.657 -28.094 21.525 1.00 0.00 H new ATOM 0 HA SER A 30 58.898 -28.235 21.532 1.00 0.00 H new ATOM 0 HB2 SER A 30 59.368 -29.799 19.541 1.00 0.00 H new ATOM 0 HB3 SER A 30 60.296 -28.313 19.489 1.00 0.00 H new ATOM 0 HG SER A 30 61.963 -29.634 19.319 1.00 0.00 H new ATOM 479 N GLN A 31 60.051 -30.903 22.983 1.00 0.00 N ATOM 480 CA GLN A 31 59.605 -32.107 23.734 1.00 0.00 C ATOM 481 C GLN A 31 58.577 -31.735 24.838 1.00 0.00 C ATOM 482 O GLN A 31 57.743 -32.558 25.250 1.00 0.00 O ATOM 483 CB GLN A 31 60.814 -32.839 24.356 1.00 0.00 C ATOM 484 CG GLN A 31 61.843 -33.348 23.332 1.00 0.00 C ATOM 485 CD GLN A 31 62.959 -34.194 23.955 1.00 0.00 C ATOM 486 OE1 GLN A 31 62.840 -35.415 24.072 1.00 0.00 O ATOM 487 NE2 GLN A 31 64.047 -33.556 24.368 1.00 0.00 N ATOM 0 H GLN A 31 61.033 -30.662 23.118 1.00 0.00 H new ATOM 0 HA GLN A 31 59.115 -32.776 23.026 1.00 0.00 H new ATOM 0 HB2 GLN A 31 61.314 -32.164 25.051 1.00 0.00 H new ATOM 0 HB3 GLN A 31 60.451 -33.685 24.939 1.00 0.00 H new ATOM 0 HG2 GLN A 31 61.328 -33.940 22.575 1.00 0.00 H new ATOM 0 HG3 GLN A 31 62.288 -32.494 22.821 1.00 0.00 H new ATOM 0 HE21 GLN A 31 64.118 -32.544 24.258 1.00 0.00 H new ATOM 0 HE22 GLN A 31 64.813 -34.077 24.795 1.00 0.00 H new ATOM 496 N ALA A 32 58.662 -30.477 25.298 1.00 0.00 N ATOM 497 CA ALA A 32 57.723 -29.869 26.260 1.00 0.00 C ATOM 498 C ALA A 32 56.815 -28.837 25.551 1.00 0.00 C ATOM 499 O ALA A 32 56.398 -27.855 26.165 1.00 0.00 O ATOM 500 CB ALA A 32 58.519 -29.222 27.407 1.00 0.00 C ATOM 0 H ALA A 32 59.401 -29.838 25.006 1.00 0.00 H new ATOM 0 HA ALA A 32 57.076 -30.641 26.677 1.00 0.00 H new ATOM 0 HB1 ALA A 32 57.829 -28.772 28.120 1.00 0.00 H new ATOM 0 HB2 ALA A 32 59.115 -29.983 27.910 1.00 0.00 H new ATOM 0 HB3 ALA A 32 59.178 -28.453 27.004 1.00 0.00 H new ATOM 506 N LEU A 33 56.487 -29.107 24.253 1.00 0.00 N ATOM 507 CA LEU A 33 55.583 -28.261 23.411 1.00 0.00 C ATOM 508 C LEU A 33 54.226 -27.907 24.092 1.00 0.00 C ATOM 509 O LEU A 33 53.535 -26.987 23.650 1.00 0.00 O ATOM 510 CB LEU A 33 55.304 -28.917 22.021 1.00 0.00 C ATOM 511 CG LEU A 33 54.386 -30.196 21.989 1.00 0.00 C ATOM 512 CD1 LEU A 33 53.934 -30.522 20.546 1.00 0.00 C ATOM 513 CD2 LEU A 33 55.069 -31.425 22.631 1.00 0.00 C ATOM 0 H LEU A 33 56.845 -29.924 23.757 1.00 0.00 H new ATOM 0 HA LEU A 33 56.131 -27.328 23.276 1.00 0.00 H new ATOM 0 HB2 LEU A 33 54.851 -28.162 21.378 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.263 -29.181 21.576 1.00 0.00 H new ATOM 0 HG LEU A 33 53.505 -29.963 22.587 1.00 0.00 H new ATOM 0 HD11 LEU A 33 53.302 -31.410 20.555 1.00 0.00 H new ATOM 0 HD12 LEU A 33 53.372 -29.680 20.142 1.00 0.00 H new ATOM 0 HD13 LEU A 33 54.809 -30.706 19.923 1.00 0.00 H new ATOM 0 HD21 LEU A 33 54.396 -32.281 22.584 1.00 0.00 H new ATOM 0 HD22 LEU A 33 55.987 -31.655 22.090 1.00 0.00 H new ATOM 0 HD23 LEU A 33 55.307 -31.207 23.672 1.00 0.00 H new ATOM 525 N LEU A 34 53.845 -28.662 25.133 1.00 0.00 N ATOM 526 CA LEU A 34 52.702 -28.336 26.002 1.00 0.00 C ATOM 527 C LEU A 34 53.155 -28.320 27.470 1.00 0.00 C ATOM 528 O LEU A 34 52.867 -27.368 28.213 1.00 0.00 O ATOM 529 CB LEU A 34 51.546 -29.353 25.780 1.00 0.00 C ATOM 530 CG LEU A 34 50.905 -29.339 24.354 1.00 0.00 C ATOM 531 CD1 LEU A 34 49.855 -30.459 24.188 1.00 0.00 C ATOM 532 CD2 LEU A 34 50.299 -27.947 24.042 1.00 0.00 C ATOM 0 H LEU A 34 54.324 -29.522 25.398 1.00 0.00 H new ATOM 0 HA LEU A 34 52.326 -27.345 25.747 1.00 0.00 H new ATOM 0 HB2 LEU A 34 51.924 -30.356 25.980 1.00 0.00 H new ATOM 0 HB3 LEU A 34 50.764 -29.154 26.513 1.00 0.00 H new ATOM 0 HG LEU A 34 51.697 -29.535 23.631 1.00 0.00 H new ATOM 0 HD11 LEU A 34 49.433 -30.416 23.184 1.00 0.00 H new ATOM 0 HD12 LEU A 34 50.330 -31.428 24.341 1.00 0.00 H new ATOM 0 HD13 LEU A 34 49.060 -30.325 24.922 1.00 0.00 H new ATOM 0 HD21 LEU A 34 49.858 -27.957 23.045 1.00 0.00 H new ATOM 0 HD22 LEU A 34 49.529 -27.712 24.777 1.00 0.00 H new ATOM 0 HD23 LEU A 34 51.083 -27.191 24.084 1.00 0.00 H new ATOM 544 N GLY A 35 53.856 -29.393 27.872 1.00 0.00 N ATOM 545 CA GLY A 35 54.385 -29.539 29.233 1.00 0.00 C ATOM 546 C GLY A 35 53.297 -29.597 30.311 1.00 0.00 C ATOM 547 O GLY A 35 52.166 -30.018 30.020 1.00 0.00 O ATOM 0 H GLY A 35 54.070 -30.181 27.261 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.985 -30.447 29.285 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.052 -28.704 29.446 1.00 0.00 H new ATOM 551 N PRO A 36 53.610 -29.175 31.578 1.00 0.00 N ATOM 552 CA PRO A 36 52.595 -29.063 32.662 1.00 0.00 C ATOM 553 C PRO A 36 51.668 -27.835 32.475 1.00 0.00 C ATOM 554 O PRO A 36 50.588 -27.759 33.073 1.00 0.00 O ATOM 555 CB PRO A 36 53.464 -28.931 33.937 1.00 0.00 C ATOM 556 CG PRO A 36 54.714 -28.249 33.461 1.00 0.00 C ATOM 557 CD PRO A 36 54.976 -28.799 32.067 1.00 0.00 C ATOM 0 HA PRO A 36 51.913 -29.912 32.689 1.00 0.00 H new ATOM 0 HB2 PRO A 36 52.958 -28.345 34.705 1.00 0.00 H new ATOM 0 HB3 PRO A 36 53.683 -29.906 34.372 1.00 0.00 H new ATOM 0 HG2 PRO A 36 54.585 -27.167 33.437 1.00 0.00 H new ATOM 0 HG3 PRO A 36 55.551 -28.456 34.128 1.00 0.00 H new ATOM 0 HD2 PRO A 36 55.442 -28.054 31.422 1.00 0.00 H new ATOM 0 HD3 PRO A 36 55.644 -29.660 32.094 1.00 0.00 H new ATOM 565 N ASP A 37 52.113 -26.897 31.628 1.00 0.00 N ATOM 566 CA ASP A 37 51.429 -25.619 31.376 1.00 0.00 C ATOM 567 C ASP A 37 50.214 -25.838 30.456 1.00 0.00 C ATOM 568 O ASP A 37 49.154 -25.219 30.637 1.00 0.00 O ATOM 569 CB ASP A 37 52.414 -24.613 30.715 1.00 0.00 C ATOM 570 CG ASP A 37 53.701 -24.403 31.525 1.00 0.00 C ATOM 571 OD1 ASP A 37 54.593 -25.281 31.480 1.00 0.00 O ATOM 572 OD2 ASP A 37 53.828 -23.376 32.230 1.00 0.00 O ATOM 0 H ASP A 37 52.972 -27.006 31.089 1.00 0.00 H new ATOM 0 HA ASP A 37 51.084 -25.212 32.327 1.00 0.00 H new ATOM 0 HB2 ASP A 37 52.674 -24.971 29.719 1.00 0.00 H new ATOM 0 HB3 ASP A 37 51.912 -23.654 30.588 1.00 0.00 H new ATOM 577 N GLY A 38 50.398 -26.733 29.466 1.00 0.00 N ATOM 578 CA GLY A 38 49.427 -26.949 28.390 1.00 0.00 C ATOM 579 C GLY A 38 49.475 -25.860 27.315 1.00 0.00 C ATOM 580 O GLY A 38 48.732 -25.920 26.338 1.00 0.00 O ATOM 0 H GLY A 38 51.226 -27.324 29.395 1.00 0.00 H new ATOM 0 HA2 GLY A 38 49.615 -27.918 27.927 1.00 0.00 H new ATOM 0 HA3 GLY A 38 48.424 -26.988 28.815 1.00 0.00 H new ATOM 584 N LYS A 39 50.378 -24.872 27.502 1.00 0.00 N ATOM 585 CA LYS A 39 50.501 -23.686 26.644 1.00 0.00 C ATOM 586 C LYS A 39 51.871 -23.031 26.894 1.00 0.00 C ATOM 587 O LYS A 39 52.117 -22.458 27.961 1.00 0.00 O ATOM 588 CB LYS A 39 49.287 -22.705 26.867 1.00 0.00 C ATOM 589 CG LYS A 39 48.866 -22.429 28.349 1.00 0.00 C ATOM 590 CD LYS A 39 49.456 -21.128 28.947 1.00 0.00 C ATOM 591 CE LYS A 39 49.046 -20.907 30.408 1.00 0.00 C ATOM 592 NZ LYS A 39 49.570 -19.621 30.928 1.00 0.00 N ATOM 0 H LYS A 39 51.051 -24.882 28.269 1.00 0.00 H new ATOM 0 HA LYS A 39 50.458 -23.971 25.593 1.00 0.00 H new ATOM 0 HB2 LYS A 39 49.531 -21.751 26.400 1.00 0.00 H new ATOM 0 HB3 LYS A 39 48.423 -23.107 26.338 1.00 0.00 H new ATOM 0 HG2 LYS A 39 47.778 -22.379 28.402 1.00 0.00 H new ATOM 0 HG3 LYS A 39 49.177 -23.272 28.966 1.00 0.00 H new ATOM 0 HD2 LYS A 39 50.543 -21.164 28.881 1.00 0.00 H new ATOM 0 HD3 LYS A 39 49.128 -20.277 28.350 1.00 0.00 H new ATOM 0 HE2 LYS A 39 47.959 -20.918 30.488 1.00 0.00 H new ATOM 0 HE3 LYS A 39 49.419 -21.728 31.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 48.932 -19.259 31.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 50.517 -19.770 31.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 49.630 -18.931 30.152 1.00 0.00 H new ATOM 606 N VAL A 40 52.789 -23.196 25.923 1.00 0.00 N ATOM 607 CA VAL A 40 54.191 -22.739 26.027 1.00 0.00 C ATOM 608 C VAL A 40 54.644 -22.122 24.694 1.00 0.00 C ATOM 609 O VAL A 40 53.953 -22.244 23.681 1.00 0.00 O ATOM 610 CB VAL A 40 55.172 -23.936 26.382 1.00 0.00 C ATOM 611 CG1 VAL A 40 54.707 -24.753 27.621 1.00 0.00 C ATOM 612 CG2 VAL A 40 55.411 -24.862 25.164 1.00 0.00 C ATOM 0 H VAL A 40 52.578 -23.654 25.036 1.00 0.00 H new ATOM 0 HA VAL A 40 54.231 -21.999 26.826 1.00 0.00 H new ATOM 0 HB VAL A 40 56.123 -23.475 26.648 1.00 0.00 H new ATOM 0 HG11 VAL A 40 55.417 -25.557 27.814 1.00 0.00 H new ATOM 0 HG12 VAL A 40 54.655 -24.098 28.490 1.00 0.00 H new ATOM 0 HG13 VAL A 40 53.722 -25.178 27.428 1.00 0.00 H new ATOM 0 HG21 VAL A 40 56.087 -25.668 25.447 1.00 0.00 H new ATOM 0 HG22 VAL A 40 54.461 -25.284 24.836 1.00 0.00 H new ATOM 0 HG23 VAL A 40 55.853 -24.287 24.351 1.00 0.00 H new ATOM 622 N ILE A 41 55.816 -21.474 24.705 1.00 0.00 N ATOM 623 CA ILE A 41 56.547 -21.132 23.477 1.00 0.00 C ATOM 624 C ILE A 41 57.518 -22.283 23.176 1.00 0.00 C ATOM 625 O ILE A 41 58.490 -22.508 23.918 1.00 0.00 O ATOM 626 CB ILE A 41 57.330 -19.773 23.606 1.00 0.00 C ATOM 627 CG1 ILE A 41 56.361 -18.621 24.005 1.00 0.00 C ATOM 628 CG2 ILE A 41 58.085 -19.441 22.288 1.00 0.00 C ATOM 629 CD1 ILE A 41 57.020 -17.267 24.180 1.00 0.00 C ATOM 0 H ILE A 41 56.283 -21.173 25.561 1.00 0.00 H new ATOM 0 HA ILE A 41 55.834 -20.998 22.663 1.00 0.00 H new ATOM 0 HB ILE A 41 58.074 -19.878 24.396 1.00 0.00 H new ATOM 0 HG12 ILE A 41 55.586 -18.536 23.243 1.00 0.00 H new ATOM 0 HG13 ILE A 41 55.863 -18.890 24.937 1.00 0.00 H new ATOM 0 HG21 ILE A 41 58.618 -18.497 22.402 1.00 0.00 H new ATOM 0 HG22 ILE A 41 58.797 -20.236 22.066 1.00 0.00 H new ATOM 0 HG23 ILE A 41 57.369 -19.357 21.470 1.00 0.00 H new ATOM 0 HD11 ILE A 41 56.267 -16.529 24.457 1.00 0.00 H new ATOM 0 HD12 ILE A 41 57.774 -17.328 24.964 1.00 0.00 H new ATOM 0 HD13 ILE A 41 57.493 -16.969 23.244 1.00 0.00 H new ATOM 641 N ILE A 42 57.195 -23.040 22.113 1.00 0.00 N ATOM 642 CA ILE A 42 58.045 -24.114 21.579 1.00 0.00 C ATOM 643 C ILE A 42 59.388 -23.531 21.121 1.00 0.00 C ATOM 644 O ILE A 42 59.413 -22.521 20.426 1.00 0.00 O ATOM 645 CB ILE A 42 57.375 -24.818 20.337 1.00 0.00 C ATOM 646 CG1 ILE A 42 55.941 -25.339 20.653 1.00 0.00 C ATOM 647 CG2 ILE A 42 58.265 -25.963 19.782 1.00 0.00 C ATOM 648 CD1 ILE A 42 55.248 -25.986 19.466 1.00 0.00 C ATOM 0 H ILE A 42 56.324 -22.920 21.595 1.00 0.00 H new ATOM 0 HA ILE A 42 58.185 -24.845 22.375 1.00 0.00 H new ATOM 0 HB ILE A 42 57.280 -24.055 19.565 1.00 0.00 H new ATOM 0 HG12 ILE A 42 55.998 -26.062 21.467 1.00 0.00 H new ATOM 0 HG13 ILE A 42 55.332 -24.507 21.008 1.00 0.00 H new ATOM 0 HG21 ILE A 42 57.772 -26.425 18.927 1.00 0.00 H new ATOM 0 HG22 ILE A 42 59.227 -25.557 19.470 1.00 0.00 H new ATOM 0 HG23 ILE A 42 58.422 -26.711 20.559 1.00 0.00 H new ATOM 0 HD11 ILE A 42 54.255 -26.323 19.764 1.00 0.00 H new ATOM 0 HD12 ILE A 42 55.157 -25.260 18.658 1.00 0.00 H new ATOM 0 HD13 ILE A 42 55.834 -26.839 19.124 1.00 0.00 H new ATOM 660 N ASP A 43 60.479 -24.173 21.522 1.00 0.00 N ATOM 661 CA ASP A 43 61.837 -23.834 21.086 1.00 0.00 C ATOM 662 C ASP A 43 62.381 -25.041 20.318 1.00 0.00 C ATOM 663 O ASP A 43 62.445 -26.146 20.872 1.00 0.00 O ATOM 664 CB ASP A 43 62.705 -23.504 22.324 1.00 0.00 C ATOM 665 CG ASP A 43 64.145 -23.091 21.990 1.00 0.00 C ATOM 666 OD1 ASP A 43 65.016 -23.972 21.864 1.00 0.00 O ATOM 667 OD2 ASP A 43 64.418 -21.880 21.861 1.00 0.00 O ATOM 0 H ASP A 43 60.449 -24.959 22.171 1.00 0.00 H new ATOM 0 HA ASP A 43 61.848 -22.957 20.439 1.00 0.00 H new ATOM 0 HB2 ASP A 43 62.229 -22.699 22.884 1.00 0.00 H new ATOM 0 HB3 ASP A 43 62.731 -24.375 22.978 1.00 0.00 H new ATOM 672 N HIS A 44 62.749 -24.841 19.039 1.00 0.00 N ATOM 673 CA HIS A 44 63.216 -25.938 18.167 1.00 0.00 C ATOM 674 C HIS A 44 64.004 -25.394 16.956 1.00 0.00 C ATOM 675 O HIS A 44 63.450 -24.642 16.139 1.00 0.00 O ATOM 676 CB HIS A 44 62.014 -26.795 17.682 1.00 0.00 C ATOM 677 CG HIS A 44 62.420 -28.078 16.991 1.00 0.00 C ATOM 678 ND1 HIS A 44 62.781 -29.212 17.682 1.00 0.00 N ATOM 679 CD2 HIS A 44 62.516 -28.401 15.675 1.00 0.00 C ATOM 680 CE1 HIS A 44 63.083 -30.171 16.830 1.00 0.00 C ATOM 681 NE2 HIS A 44 62.932 -29.705 15.610 1.00 0.00 N ATOM 0 H HIS A 44 62.732 -23.928 18.584 1.00 0.00 H new ATOM 0 HA HIS A 44 63.886 -26.567 18.753 1.00 0.00 H new ATOM 0 HB2 HIS A 44 61.384 -27.038 18.538 1.00 0.00 H new ATOM 0 HB3 HIS A 44 61.408 -26.201 16.998 1.00 0.00 H new ATOM 0 HD2 HIS A 44 62.304 -27.752 14.838 1.00 0.00 H new ATOM 0 HE1 HIS A 44 63.401 -31.170 17.090 1.00 0.00 H new ATOM 0 HE2 HIS A 44 63.098 -30.230 14.752 1.00 0.00 H new ATOM 690 N ASN A 45 65.294 -25.793 16.880 1.00 0.00 N ATOM 691 CA ASN A 45 66.192 -25.559 15.728 1.00 0.00 C ATOM 692 C ASN A 45 66.286 -24.054 15.372 1.00 0.00 C ATOM 693 O ASN A 45 66.035 -23.639 14.226 1.00 0.00 O ATOM 694 CB ASN A 45 65.757 -26.444 14.518 1.00 0.00 C ATOM 695 CG ASN A 45 66.874 -26.663 13.494 1.00 0.00 C ATOM 696 OD1 ASN A 45 67.627 -27.635 13.572 1.00 0.00 O ATOM 697 ND2 ASN A 45 67.014 -25.755 12.547 1.00 0.00 N ATOM 0 H ASN A 45 65.750 -26.300 17.638 1.00 0.00 H new ATOM 0 HA ASN A 45 67.202 -25.860 16.005 1.00 0.00 H new ATOM 0 HB2 ASN A 45 65.418 -27.412 14.888 1.00 0.00 H new ATOM 0 HB3 ASN A 45 64.906 -25.977 14.022 1.00 0.00 H new ATOM 0 HD21 ASN A 45 67.759 -25.848 11.857 1.00 0.00 H new ATOM 0 HD22 ASN A 45 66.377 -24.960 12.505 1.00 0.00 H new ATOM 704 N GLY A 46 66.573 -23.242 16.400 1.00 0.00 N ATOM 705 CA GLY A 46 66.745 -21.795 16.249 1.00 0.00 C ATOM 706 C GLY A 46 65.436 -21.003 16.235 1.00 0.00 C ATOM 707 O GLY A 46 65.455 -19.790 16.469 1.00 0.00 O ATOM 0 H GLY A 46 66.692 -23.572 17.358 1.00 0.00 H new ATOM 0 HA2 GLY A 46 67.369 -21.428 17.064 1.00 0.00 H new ATOM 0 HA3 GLY A 46 67.284 -21.600 15.322 1.00 0.00 H new ATOM 711 N GLN A 47 64.298 -21.682 15.967 1.00 0.00 N ATOM 712 CA GLN A 47 62.979 -21.030 15.786 1.00 0.00 C ATOM 713 C GLN A 47 62.098 -21.261 17.023 1.00 0.00 C ATOM 714 O GLN A 47 62.139 -22.340 17.626 1.00 0.00 O ATOM 715 CB GLN A 47 62.283 -21.609 14.525 1.00 0.00 C ATOM 716 CG GLN A 47 63.096 -21.491 13.220 1.00 0.00 C ATOM 717 CD GLN A 47 62.337 -22.003 11.995 1.00 0.00 C ATOM 718 OE1 GLN A 47 61.629 -21.248 11.317 1.00 0.00 O ATOM 719 NE2 GLN A 47 62.465 -23.284 11.709 1.00 0.00 N ATOM 0 H GLN A 47 64.267 -22.697 15.870 1.00 0.00 H new ATOM 0 HA GLN A 47 63.126 -19.958 15.658 1.00 0.00 H new ATOM 0 HB2 GLN A 47 62.060 -22.661 14.702 1.00 0.00 H new ATOM 0 HB3 GLN A 47 61.329 -21.099 14.389 1.00 0.00 H new ATOM 0 HG2 GLN A 47 63.369 -20.448 13.062 1.00 0.00 H new ATOM 0 HG3 GLN A 47 64.025 -22.051 13.325 1.00 0.00 H new ATOM 0 HE21 GLN A 47 63.057 -23.879 12.288 1.00 0.00 H new ATOM 0 HE22 GLN A 47 61.972 -23.679 10.908 1.00 0.00 H new ATOM 728 N GLU A 48 61.285 -20.252 17.387 1.00 0.00 N ATOM 729 CA GLU A 48 60.379 -20.331 18.551 1.00 0.00 C ATOM 730 C GLU A 48 58.976 -19.806 18.194 1.00 0.00 C ATOM 731 O GLU A 48 58.837 -18.802 17.484 1.00 0.00 O ATOM 732 CB GLU A 48 60.980 -19.576 19.761 1.00 0.00 C ATOM 733 CG GLU A 48 61.277 -18.084 19.526 1.00 0.00 C ATOM 734 CD GLU A 48 62.008 -17.445 20.708 1.00 0.00 C ATOM 735 OE1 GLU A 48 63.235 -17.658 20.840 1.00 0.00 O ATOM 736 OE2 GLU A 48 61.372 -16.750 21.523 1.00 0.00 O ATOM 0 H GLU A 48 61.236 -19.364 16.887 1.00 0.00 H new ATOM 0 HA GLU A 48 60.271 -21.378 18.834 1.00 0.00 H new ATOM 0 HB2 GLU A 48 60.291 -19.664 20.601 1.00 0.00 H new ATOM 0 HB3 GLU A 48 61.906 -20.072 20.054 1.00 0.00 H new ATOM 0 HG2 GLU A 48 61.881 -17.973 18.625 1.00 0.00 H new ATOM 0 HG3 GLU A 48 60.342 -17.553 19.350 1.00 0.00 H new ATOM 743 N TYR A 49 57.940 -20.521 18.684 1.00 0.00 N ATOM 744 CA TYR A 49 56.519 -20.281 18.326 1.00 0.00 C ATOM 745 C TYR A 49 55.597 -20.705 19.488 1.00 0.00 C ATOM 746 O TYR A 49 55.776 -21.780 20.056 1.00 0.00 O ATOM 747 CB TYR A 49 56.118 -21.035 16.993 1.00 0.00 C ATOM 748 CG TYR A 49 57.132 -22.082 16.478 1.00 0.00 C ATOM 749 CD1 TYR A 49 57.184 -23.376 17.010 1.00 0.00 C ATOM 750 CD2 TYR A 49 58.063 -21.761 15.484 1.00 0.00 C ATOM 751 CE1 TYR A 49 58.116 -24.300 16.561 1.00 0.00 C ATOM 752 CE2 TYR A 49 58.987 -22.685 15.032 1.00 0.00 C ATOM 753 CZ TYR A 49 59.012 -23.949 15.582 1.00 0.00 C ATOM 754 OH TYR A 49 59.944 -24.869 15.151 1.00 0.00 O ATOM 0 H TYR A 49 58.064 -21.288 19.345 1.00 0.00 H new ATOM 0 HA TYR A 49 56.395 -19.213 18.148 1.00 0.00 H new ATOM 0 HB2 TYR A 49 55.162 -21.532 17.154 1.00 0.00 H new ATOM 0 HB3 TYR A 49 55.963 -20.292 16.211 1.00 0.00 H new ATOM 0 HD1 TYR A 49 56.486 -23.660 17.784 1.00 0.00 H new ATOM 0 HD2 TYR A 49 58.060 -20.768 15.060 1.00 0.00 H new ATOM 0 HE1 TYR A 49 58.137 -25.295 16.981 1.00 0.00 H new ATOM 0 HE2 TYR A 49 59.685 -22.418 14.252 1.00 0.00 H new ATOM 0 HH TYR A 49 60.503 -24.466 14.454 1.00 0.00 H new ATOM 764 N LEU A 50 54.590 -19.862 19.796 1.00 0.00 N ATOM 765 CA LEU A 50 53.633 -20.094 20.903 1.00 0.00 C ATOM 766 C LEU A 50 52.606 -21.177 20.495 1.00 0.00 C ATOM 767 O LEU A 50 51.799 -20.953 19.605 1.00 0.00 O ATOM 768 CB LEU A 50 52.941 -18.732 21.263 1.00 0.00 C ATOM 769 CG LEU A 50 51.964 -18.655 22.508 1.00 0.00 C ATOM 770 CD1 LEU A 50 50.573 -19.309 22.267 1.00 0.00 C ATOM 771 CD2 LEU A 50 52.624 -19.210 23.788 1.00 0.00 C ATOM 0 H LEU A 50 54.415 -18.998 19.283 1.00 0.00 H new ATOM 0 HA LEU A 50 54.152 -20.461 21.788 1.00 0.00 H new ATOM 0 HB2 LEU A 50 53.730 -17.997 21.422 1.00 0.00 H new ATOM 0 HB3 LEU A 50 52.378 -18.411 20.387 1.00 0.00 H new ATOM 0 HG LEU A 50 51.771 -17.592 22.651 1.00 0.00 H new ATOM 0 HD11 LEU A 50 49.965 -19.214 23.167 1.00 0.00 H new ATOM 0 HD12 LEU A 50 50.074 -18.808 21.437 1.00 0.00 H new ATOM 0 HD13 LEU A 50 50.704 -20.364 22.028 1.00 0.00 H new ATOM 0 HD21 LEU A 50 51.922 -19.140 24.619 1.00 0.00 H new ATOM 0 HD22 LEU A 50 52.899 -20.253 23.633 1.00 0.00 H new ATOM 0 HD23 LEU A 50 53.518 -18.630 24.018 1.00 0.00 H new ATOM 783 N LEU A 51 52.645 -22.335 21.155 1.00 0.00 N ATOM 784 CA LEU A 51 51.603 -23.369 21.041 1.00 0.00 C ATOM 785 C LEU A 51 50.742 -23.333 22.298 1.00 0.00 C ATOM 786 O LEU A 51 51.273 -23.188 23.400 1.00 0.00 O ATOM 787 CB LEU A 51 52.223 -24.779 20.884 1.00 0.00 C ATOM 788 CG LEU A 51 51.212 -25.964 20.676 1.00 0.00 C ATOM 789 CD1 LEU A 51 50.411 -25.788 19.373 1.00 0.00 C ATOM 790 CD2 LEU A 51 51.920 -27.334 20.716 1.00 0.00 C ATOM 0 H LEU A 51 53.403 -22.588 21.789 1.00 0.00 H new ATOM 0 HA LEU A 51 51.002 -23.165 20.155 1.00 0.00 H new ATOM 0 HB2 LEU A 51 52.907 -24.760 20.035 1.00 0.00 H new ATOM 0 HB3 LEU A 51 52.821 -24.991 21.770 1.00 0.00 H new ATOM 0 HG LEU A 51 50.508 -25.940 21.508 1.00 0.00 H new ATOM 0 HD11 LEU A 51 49.720 -26.622 19.255 1.00 0.00 H new ATOM 0 HD12 LEU A 51 49.850 -24.855 19.414 1.00 0.00 H new ATOM 0 HD13 LEU A 51 51.096 -25.762 18.526 1.00 0.00 H new ATOM 0 HD21 LEU A 51 51.187 -28.127 20.568 1.00 0.00 H new ATOM 0 HD22 LEU A 51 52.668 -27.380 19.925 1.00 0.00 H new ATOM 0 HD23 LEU A 51 52.406 -27.464 21.683 1.00 0.00 H new ATOM 802 N ARG A 52 49.425 -23.470 22.136 1.00 0.00 N ATOM 803 CA ARG A 52 48.508 -23.535 23.274 1.00 0.00 C ATOM 804 C ARG A 52 47.394 -24.550 23.024 1.00 0.00 C ATOM 805 O ARG A 52 46.975 -24.757 21.893 1.00 0.00 O ATOM 806 CB ARG A 52 47.919 -22.135 23.586 1.00 0.00 C ATOM 807 CG ARG A 52 46.943 -21.564 22.531 1.00 0.00 C ATOM 808 CD ARG A 52 46.323 -20.247 23.008 1.00 0.00 C ATOM 809 NE ARG A 52 45.349 -19.678 22.057 1.00 0.00 N ATOM 810 CZ ARG A 52 44.766 -18.465 22.193 1.00 0.00 C ATOM 811 NH1 ARG A 52 44.995 -17.721 23.261 1.00 0.00 N ATOM 812 NH2 ARG A 52 43.949 -18.010 21.260 1.00 0.00 N ATOM 0 H ARG A 52 48.969 -23.538 21.226 1.00 0.00 H new ATOM 0 HA ARG A 52 49.075 -23.867 24.144 1.00 0.00 H new ATOM 0 HB2 ARG A 52 47.400 -22.185 24.543 1.00 0.00 H new ATOM 0 HB3 ARG A 52 48.744 -21.433 23.707 1.00 0.00 H new ATOM 0 HG2 ARG A 52 47.472 -21.401 21.592 1.00 0.00 H new ATOM 0 HG3 ARG A 52 46.154 -22.289 22.331 1.00 0.00 H new ATOM 0 HD2 ARG A 52 45.830 -20.412 23.966 1.00 0.00 H new ATOM 0 HD3 ARG A 52 47.118 -19.521 23.180 1.00 0.00 H new ATOM 0 HE ARG A 52 45.098 -20.237 21.242 1.00 0.00 H new ATOM 0 HH11 ARG A 52 45.618 -18.060 23.995 1.00 0.00 H new ATOM 0 HH12 ARG A 52 44.549 -16.808 23.352 1.00 0.00 H new ATOM 0 HH21 ARG A 52 43.755 -18.574 20.432 1.00 0.00 H new ATOM 0 HH22 ARG A 52 43.512 -17.095 21.367 1.00 0.00 H new ATOM 826 N LYS A 53 46.948 -25.202 24.102 1.00 0.00 N ATOM 827 CA LYS A 53 45.723 -25.997 24.098 1.00 0.00 C ATOM 828 C LYS A 53 44.528 -25.049 24.207 1.00 0.00 C ATOM 829 O LYS A 53 44.310 -24.437 25.263 1.00 0.00 O ATOM 830 CB LYS A 53 45.727 -27.013 25.273 1.00 0.00 C ATOM 831 CG LYS A 53 46.680 -28.214 25.088 1.00 0.00 C ATOM 832 CD LYS A 53 46.775 -29.140 26.333 1.00 0.00 C ATOM 833 CE LYS A 53 45.461 -29.886 26.675 1.00 0.00 C ATOM 834 NZ LYS A 53 44.374 -28.989 27.174 1.00 0.00 N ATOM 0 H LYS A 53 47.429 -25.191 25.001 1.00 0.00 H new ATOM 0 HA LYS A 53 45.656 -26.567 23.171 1.00 0.00 H new ATOM 0 HB2 LYS A 53 46.001 -26.488 26.188 1.00 0.00 H new ATOM 0 HB3 LYS A 53 44.714 -27.390 25.413 1.00 0.00 H new ATOM 0 HG2 LYS A 53 46.345 -28.803 24.234 1.00 0.00 H new ATOM 0 HG3 LYS A 53 47.676 -27.842 24.848 1.00 0.00 H new ATOM 0 HD2 LYS A 53 47.563 -29.874 26.166 1.00 0.00 H new ATOM 0 HD3 LYS A 53 47.074 -28.542 27.194 1.00 0.00 H new ATOM 0 HE2 LYS A 53 45.109 -30.410 25.786 1.00 0.00 H new ATOM 0 HE3 LYS A 53 45.670 -30.644 27.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 43.889 -29.443 27.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 44.785 -28.086 27.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 43.691 -28.813 26.410 1.00 0.00 H new ATOM 848 N THR A 54 43.794 -24.893 23.095 1.00 0.00 N ATOM 849 CA THR A 54 42.547 -24.128 23.075 1.00 0.00 C ATOM 850 C THR A 54 41.525 -24.913 23.927 1.00 0.00 C ATOM 851 O THR A 54 41.389 -26.142 23.739 1.00 0.00 O ATOM 852 CB THR A 54 41.987 -23.908 21.611 1.00 0.00 C ATOM 853 OG1 THR A 54 41.220 -25.036 21.159 1.00 0.00 O ATOM 854 CG2 THR A 54 43.112 -23.647 20.596 1.00 0.00 C ATOM 0 H THR A 54 44.049 -25.292 22.192 1.00 0.00 H new ATOM 0 HA THR A 54 42.729 -23.131 23.477 1.00 0.00 H new ATOM 0 HB THR A 54 41.344 -23.030 21.669 1.00 0.00 H new ATOM 0 HG1 THR A 54 40.591 -24.747 20.465 1.00 0.00 H new ATOM 0 HG21 THR A 54 42.682 -23.502 19.605 1.00 0.00 H new ATOM 0 HG22 THR A 54 43.664 -22.753 20.886 1.00 0.00 H new ATOM 0 HG23 THR A 54 43.789 -24.501 20.576 1.00 0.00 H new ATOM 862 N GLN A 55 40.859 -24.220 24.871 1.00 0.00 N ATOM 863 CA GLN A 55 39.853 -24.838 25.775 1.00 0.00 C ATOM 864 C GLN A 55 38.626 -25.353 24.978 1.00 0.00 C ATOM 865 O GLN A 55 37.873 -26.218 25.450 1.00 0.00 O ATOM 866 CB GLN A 55 39.415 -23.834 26.883 1.00 0.00 C ATOM 867 CG GLN A 55 38.421 -24.423 27.916 1.00 0.00 C ATOM 868 CD GLN A 55 37.964 -23.441 28.991 1.00 0.00 C ATOM 869 OE1 GLN A 55 38.713 -22.556 29.404 1.00 0.00 O ATOM 870 NE2 GLN A 55 36.729 -23.596 29.454 1.00 0.00 N ATOM 0 H GLN A 55 40.997 -23.222 25.033 1.00 0.00 H new ATOM 0 HA GLN A 55 40.319 -25.696 26.259 1.00 0.00 H new ATOM 0 HB2 GLN A 55 40.302 -23.481 27.409 1.00 0.00 H new ATOM 0 HB3 GLN A 55 38.958 -22.965 26.410 1.00 0.00 H new ATOM 0 HG2 GLN A 55 37.544 -24.794 27.386 1.00 0.00 H new ATOM 0 HG3 GLN A 55 38.887 -25.281 28.401 1.00 0.00 H new ATOM 0 HE21 GLN A 55 36.137 -24.341 29.088 1.00 0.00 H new ATOM 0 HE22 GLN A 55 36.373 -22.970 30.176 1.00 0.00 H new ATOM 879 N ALA A 56 38.450 -24.819 23.752 1.00 0.00 N ATOM 880 CA ALA A 56 37.451 -25.303 22.775 1.00 0.00 C ATOM 881 C ALA A 56 37.693 -26.794 22.417 1.00 0.00 C ATOM 882 O ALA A 56 36.767 -27.513 22.019 1.00 0.00 O ATOM 883 CB ALA A 56 37.504 -24.426 21.513 1.00 0.00 C ATOM 0 H ALA A 56 39.002 -24.033 23.409 1.00 0.00 H new ATOM 0 HA ALA A 56 36.460 -25.231 23.222 1.00 0.00 H new ATOM 0 HB1 ALA A 56 36.768 -24.781 20.792 1.00 0.00 H new ATOM 0 HB2 ALA A 56 37.282 -23.392 21.779 1.00 0.00 H new ATOM 0 HB3 ALA A 56 38.500 -24.482 21.073 1.00 0.00 H new ATOM 889 N GLY A 57 38.954 -27.235 22.588 1.00 0.00 N ATOM 890 CA GLY A 57 39.348 -28.635 22.443 1.00 0.00 C ATOM 891 C GLY A 57 40.259 -28.860 21.256 1.00 0.00 C ATOM 892 O GLY A 57 40.102 -29.838 20.516 1.00 0.00 O ATOM 0 H GLY A 57 39.729 -26.618 22.833 1.00 0.00 H new ATOM 0 HA2 GLY A 57 39.853 -28.963 23.352 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.455 -29.251 22.334 1.00 0.00 H new ATOM 896 N LYS A 58 41.236 -27.952 21.077 1.00 0.00 N ATOM 897 CA LYS A 58 42.194 -28.002 19.938 1.00 0.00 C ATOM 898 C LYS A 58 43.587 -27.515 20.383 1.00 0.00 C ATOM 899 O LYS A 58 43.832 -27.279 21.569 1.00 0.00 O ATOM 900 CB LYS A 58 41.690 -27.124 18.742 1.00 0.00 C ATOM 901 CG LYS A 58 40.386 -27.607 18.062 1.00 0.00 C ATOM 902 CD LYS A 58 40.027 -26.798 16.792 1.00 0.00 C ATOM 903 CE LYS A 58 39.747 -25.317 17.086 1.00 0.00 C ATOM 904 NZ LYS A 58 39.504 -24.543 15.845 1.00 0.00 N ATOM 0 H LYS A 58 41.390 -27.166 21.708 1.00 0.00 H new ATOM 0 HA LYS A 58 42.264 -29.038 19.607 1.00 0.00 H new ATOM 0 HB2 LYS A 58 41.536 -26.106 19.101 1.00 0.00 H new ATOM 0 HB3 LYS A 58 42.477 -27.081 17.989 1.00 0.00 H new ATOM 0 HG2 LYS A 58 40.490 -28.659 17.798 1.00 0.00 H new ATOM 0 HG3 LYS A 58 39.564 -27.537 18.775 1.00 0.00 H new ATOM 0 HD2 LYS A 58 40.846 -26.873 16.076 1.00 0.00 H new ATOM 0 HD3 LYS A 58 39.150 -27.242 16.321 1.00 0.00 H new ATOM 0 HE2 LYS A 58 38.880 -25.235 17.741 1.00 0.00 H new ATOM 0 HE3 LYS A 58 40.593 -24.887 17.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 39.319 -23.549 16.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 40.341 -24.600 15.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 38.681 -24.937 15.346 1.00 0.00 H new ATOM 918 N LEU A 59 44.497 -27.410 19.395 1.00 0.00 N ATOM 919 CA LEU A 59 45.818 -26.766 19.535 1.00 0.00 C ATOM 920 C LEU A 59 45.869 -25.538 18.612 1.00 0.00 C ATOM 921 O LEU A 59 45.304 -25.560 17.507 1.00 0.00 O ATOM 922 CB LEU A 59 46.951 -27.768 19.168 1.00 0.00 C ATOM 923 CG LEU A 59 47.161 -28.947 20.169 1.00 0.00 C ATOM 924 CD1 LEU A 59 48.179 -29.972 19.626 1.00 0.00 C ATOM 925 CD2 LEU A 59 47.591 -28.426 21.556 1.00 0.00 C ATOM 0 H LEU A 59 44.331 -27.778 18.458 1.00 0.00 H new ATOM 0 HA LEU A 59 45.966 -26.454 20.569 1.00 0.00 H new ATOM 0 HB2 LEU A 59 46.738 -28.185 18.184 1.00 0.00 H new ATOM 0 HB3 LEU A 59 47.887 -27.215 19.084 1.00 0.00 H new ATOM 0 HG LEU A 59 46.204 -29.457 20.281 1.00 0.00 H new ATOM 0 HD11 LEU A 59 48.302 -30.780 20.347 1.00 0.00 H new ATOM 0 HD12 LEU A 59 47.816 -30.380 18.683 1.00 0.00 H new ATOM 0 HD13 LEU A 59 49.139 -29.481 19.464 1.00 0.00 H new ATOM 0 HD21 LEU A 59 47.730 -29.268 22.234 1.00 0.00 H new ATOM 0 HD22 LEU A 59 48.527 -27.876 21.464 1.00 0.00 H new ATOM 0 HD23 LEU A 59 46.819 -27.766 21.952 1.00 0.00 H new ATOM 937 N LEU A 60 46.525 -24.462 19.076 1.00 0.00 N ATOM 938 CA LEU A 60 46.727 -23.243 18.280 1.00 0.00 C ATOM 939 C LEU A 60 48.221 -22.907 18.268 1.00 0.00 C ATOM 940 O LEU A 60 48.782 -22.521 19.305 1.00 0.00 O ATOM 941 CB LEU A 60 45.901 -22.057 18.855 1.00 0.00 C ATOM 942 CG LEU A 60 45.663 -20.871 17.872 1.00 0.00 C ATOM 943 CD1 LEU A 60 44.788 -21.306 16.676 1.00 0.00 C ATOM 944 CD2 LEU A 60 45.048 -19.667 18.603 1.00 0.00 C ATOM 0 H LEU A 60 46.929 -24.414 20.011 1.00 0.00 H new ATOM 0 HA LEU A 60 46.381 -23.415 17.261 1.00 0.00 H new ATOM 0 HB2 LEU A 60 44.933 -22.435 19.182 1.00 0.00 H new ATOM 0 HB3 LEU A 60 46.411 -21.677 19.740 1.00 0.00 H new ATOM 0 HG LEU A 60 46.631 -20.563 17.477 1.00 0.00 H new ATOM 0 HD11 LEU A 60 44.639 -20.458 16.007 1.00 0.00 H new ATOM 0 HD12 LEU A 60 45.285 -22.112 16.136 1.00 0.00 H new ATOM 0 HD13 LEU A 60 43.822 -21.655 17.040 1.00 0.00 H new ATOM 0 HD21 LEU A 60 44.892 -18.853 17.895 1.00 0.00 H new ATOM 0 HD22 LEU A 60 44.092 -19.956 19.040 1.00 0.00 H new ATOM 0 HD23 LEU A 60 45.723 -19.337 19.392 1.00 0.00 H new ATOM 956 N LEU A 61 48.876 -23.130 17.114 1.00 0.00 N ATOM 957 CA LEU A 61 50.275 -22.727 16.898 1.00 0.00 C ATOM 958 C LEU A 61 50.253 -21.314 16.303 1.00 0.00 C ATOM 959 O LEU A 61 49.587 -21.064 15.291 1.00 0.00 O ATOM 960 CB LEU A 61 51.012 -23.753 15.979 1.00 0.00 C ATOM 961 CG LEU A 61 52.592 -23.698 15.932 1.00 0.00 C ATOM 962 CD1 LEU A 61 53.138 -22.505 15.114 1.00 0.00 C ATOM 963 CD2 LEU A 61 53.198 -23.709 17.359 1.00 0.00 C ATOM 0 H LEU A 61 48.452 -23.592 16.310 1.00 0.00 H new ATOM 0 HA LEU A 61 50.832 -22.717 17.835 1.00 0.00 H new ATOM 0 HB2 LEU A 61 50.721 -24.755 16.295 1.00 0.00 H new ATOM 0 HB3 LEU A 61 50.642 -23.619 14.963 1.00 0.00 H new ATOM 0 HG LEU A 61 52.908 -24.602 15.411 1.00 0.00 H new ATOM 0 HD11 LEU A 61 54.228 -22.527 15.122 1.00 0.00 H new ATOM 0 HD12 LEU A 61 52.781 -22.575 14.086 1.00 0.00 H new ATOM 0 HD13 LEU A 61 52.790 -21.571 15.556 1.00 0.00 H new ATOM 0 HD21 LEU A 61 54.285 -23.670 17.293 1.00 0.00 H new ATOM 0 HD22 LEU A 61 52.837 -22.843 17.914 1.00 0.00 H new ATOM 0 HD23 LEU A 61 52.898 -24.621 17.875 1.00 0.00 H new ATOM 975 N THR A 62 50.980 -20.410 16.956 1.00 0.00 N ATOM 976 CA THR A 62 51.063 -18.986 16.614 1.00 0.00 C ATOM 977 C THR A 62 52.515 -18.517 16.824 1.00 0.00 C ATOM 978 O THR A 62 53.323 -19.240 17.404 1.00 0.00 O ATOM 979 CB THR A 62 50.096 -18.121 17.510 1.00 0.00 C ATOM 980 OG1 THR A 62 50.364 -18.345 18.908 1.00 0.00 O ATOM 981 CG2 THR A 62 48.601 -18.392 17.226 1.00 0.00 C ATOM 0 H THR A 62 51.549 -20.654 17.767 1.00 0.00 H new ATOM 0 HA THR A 62 50.761 -18.856 15.575 1.00 0.00 H new ATOM 0 HB THR A 62 50.295 -17.081 17.252 1.00 0.00 H new ATOM 0 HG1 THR A 62 50.850 -19.189 19.017 1.00 0.00 H new ATOM 0 HG21 THR A 62 47.988 -17.766 17.875 1.00 0.00 H new ATOM 0 HG22 THR A 62 48.381 -18.160 16.184 1.00 0.00 H new ATOM 0 HG23 THR A 62 48.378 -19.441 17.419 1.00 0.00 H new ATOM 989 N LYS A 63 52.840 -17.318 16.326 1.00 0.00 N ATOM 990 CA LYS A 63 54.131 -16.660 16.588 1.00 0.00 C ATOM 991 C LYS A 63 54.086 -16.039 18.010 1.00 0.00 C ATOM 992 O LYS A 63 54.676 -16.620 18.946 1.00 0.00 O ATOM 993 CB LYS A 63 54.431 -15.584 15.480 1.00 0.00 C ATOM 994 CG LYS A 63 54.948 -16.136 14.128 1.00 0.00 C ATOM 995 CD LYS A 63 54.017 -17.172 13.468 1.00 0.00 C ATOM 996 CE LYS A 63 54.525 -17.613 12.088 1.00 0.00 C ATOM 997 NZ LYS A 63 55.934 -18.091 12.128 1.00 0.00 N ATOM 998 OXT LYS A 63 53.419 -14.994 18.187 1.00 0.00 O ATOM 0 H LYS A 63 52.217 -16.774 15.729 1.00 0.00 H new ATOM 0 HA LYS A 63 54.944 -17.385 16.549 1.00 0.00 H new ATOM 0 HB2 LYS A 63 53.519 -15.017 15.295 1.00 0.00 H new ATOM 0 HB3 LYS A 63 55.169 -14.883 15.871 1.00 0.00 H new ATOM 0 HG2 LYS A 63 55.091 -15.303 13.440 1.00 0.00 H new ATOM 0 HG3 LYS A 63 55.926 -16.591 14.285 1.00 0.00 H new ATOM 0 HD2 LYS A 63 53.929 -18.044 14.116 1.00 0.00 H new ATOM 0 HD3 LYS A 63 53.018 -16.748 13.367 1.00 0.00 H new ATOM 0 HE2 LYS A 63 53.885 -18.408 11.705 1.00 0.00 H new ATOM 0 HE3 LYS A 63 54.447 -16.778 11.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 56.187 -18.502 11.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 56.566 -17.292 12.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 56.035 -18.813 12.869 1.00 0.00 H new