USER MOD reduce.3.24.130724 H: found=0, std=0, add=338, rem=0, adj=5 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 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 29 ASN : amide:sc= -0.807 X(o=-1,f=-1.4) USER MOD Set 2.2: A 31 GLN : amide:sc= -0.204 X(o=-1,f=-1.1) USER MOD Set 3.1: A 30 SER OG : rot 166:sc= 0.662 USER MOD Set 3.2: A 44 HIS : no HD1:sc= 0.589 K(o=1.3,f=-2.6) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0814 X(o=-0.081,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 137:sc= -1.29 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 35:sc= 0.0389 USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0349) USER MOD ----------------------------------------------------------------- ATOM 355 N ALA A 23 50.257 -16.961 25.334 1.00 0.00 N ATOM 356 CA ALA A 23 49.458 -17.707 26.344 1.00 0.00 C ATOM 357 C ALA A 23 50.290 -18.019 27.610 1.00 0.00 C ATOM 358 O ALA A 23 49.740 -18.155 28.711 1.00 0.00 O ATOM 359 CB ALA A 23 48.892 -18.987 25.720 1.00 0.00 C ATOM 0 HA ALA A 23 48.627 -17.076 26.659 1.00 0.00 H new ATOM 0 HB1 ALA A 23 48.308 -19.528 26.465 1.00 0.00 H new ATOM 0 HB2 ALA A 23 48.253 -18.728 24.876 1.00 0.00 H new ATOM 0 HB3 ALA A 23 49.712 -19.617 25.374 1.00 0.00 H new ATOM 365 N ALA A 24 51.612 -18.135 27.406 1.00 0.00 N ATOM 366 CA ALA A 24 52.624 -18.164 28.473 1.00 0.00 C ATOM 367 C ALA A 24 53.987 -17.852 27.844 1.00 0.00 C ATOM 368 O ALA A 24 54.267 -18.301 26.727 1.00 0.00 O ATOM 369 CB ALA A 24 52.661 -19.524 29.191 1.00 0.00 C ATOM 0 H ALA A 24 52.016 -18.213 26.473 1.00 0.00 H new ATOM 0 HA ALA A 24 52.370 -17.419 29.227 1.00 0.00 H new ATOM 0 HB1 ALA A 24 53.422 -19.503 29.971 1.00 0.00 H new ATOM 0 HB2 ALA A 24 51.688 -19.726 29.638 1.00 0.00 H new ATOM 0 HB3 ALA A 24 52.900 -20.308 28.473 1.00 0.00 H new ATOM 375 N GLU A 25 54.839 -17.096 28.564 1.00 0.00 N ATOM 376 CA GLU A 25 56.205 -16.746 28.096 1.00 0.00 C ATOM 377 C GLU A 25 57.244 -17.799 28.566 1.00 0.00 C ATOM 378 O GLU A 25 58.426 -17.491 28.768 1.00 0.00 O ATOM 379 CB GLU A 25 56.586 -15.312 28.571 1.00 0.00 C ATOM 380 CG GLU A 25 56.599 -15.105 30.097 1.00 0.00 C ATOM 381 CD GLU A 25 57.109 -13.713 30.506 1.00 0.00 C ATOM 382 OE1 GLU A 25 56.340 -12.735 30.407 1.00 0.00 O ATOM 383 OE2 GLU A 25 58.283 -13.586 30.923 1.00 0.00 O ATOM 0 H GLU A 25 54.607 -16.711 29.480 1.00 0.00 H new ATOM 0 HA GLU A 25 56.211 -16.754 27.006 1.00 0.00 H new ATOM 0 HB2 GLU A 25 57.574 -15.068 28.180 1.00 0.00 H new ATOM 0 HB3 GLU A 25 55.885 -14.603 28.131 1.00 0.00 H new ATOM 0 HG2 GLU A 25 55.591 -15.246 30.487 1.00 0.00 H new ATOM 0 HG3 GLU A 25 57.228 -15.867 30.557 1.00 0.00 H new ATOM 390 N ARG A 26 56.781 -19.059 28.672 1.00 0.00 N ATOM 391 CA ARG A 26 57.585 -20.208 29.113 1.00 0.00 C ATOM 392 C ARG A 26 58.372 -20.782 27.914 1.00 0.00 C ATOM 393 O ARG A 26 57.832 -21.564 27.124 1.00 0.00 O ATOM 394 CB ARG A 26 56.630 -21.272 29.749 1.00 0.00 C ATOM 395 CG ARG A 26 57.260 -22.628 30.163 1.00 0.00 C ATOM 396 CD ARG A 26 58.353 -22.521 31.240 1.00 0.00 C ATOM 397 NE ARG A 26 59.682 -22.184 30.682 1.00 0.00 N ATOM 398 CZ ARG A 26 60.651 -21.507 31.328 1.00 0.00 C ATOM 399 NH1 ARG A 26 60.424 -20.941 32.516 1.00 0.00 N ATOM 400 NH2 ARG A 26 61.853 -21.395 30.781 1.00 0.00 N ATOM 0 H ARG A 26 55.818 -19.309 28.448 1.00 0.00 H new ATOM 0 HA ARG A 26 58.313 -19.905 29.866 1.00 0.00 H new ATOM 0 HB2 ARG A 26 56.170 -20.829 30.632 1.00 0.00 H new ATOM 0 HB3 ARG A 26 55.828 -21.474 29.039 1.00 0.00 H new ATOM 0 HG2 ARG A 26 56.470 -23.285 30.529 1.00 0.00 H new ATOM 0 HG3 ARG A 26 57.685 -23.102 29.278 1.00 0.00 H new ATOM 0 HD2 ARG A 26 58.066 -21.761 31.967 1.00 0.00 H new ATOM 0 HD3 ARG A 26 58.420 -23.467 31.778 1.00 0.00 H new ATOM 0 HE ARG A 26 59.881 -22.490 29.729 1.00 0.00 H new ATOM 0 HH11 ARG A 26 59.504 -21.017 32.950 1.00 0.00 H new ATOM 0 HH12 ARG A 26 61.171 -20.432 32.990 1.00 0.00 H new ATOM 0 HH21 ARG A 26 62.042 -21.821 29.874 1.00 0.00 H new ATOM 0 HH22 ARG A 26 62.589 -20.883 31.267 1.00 0.00 H new ATOM 414 N ARG A 27 59.634 -20.335 27.756 1.00 0.00 N ATOM 415 CA ARG A 27 60.544 -20.856 26.719 1.00 0.00 C ATOM 416 C ARG A 27 61.074 -22.231 27.154 1.00 0.00 C ATOM 417 O ARG A 27 61.888 -22.325 28.079 1.00 0.00 O ATOM 418 CB ARG A 27 61.749 -19.901 26.439 1.00 0.00 C ATOM 419 CG ARG A 27 61.419 -18.628 25.638 1.00 0.00 C ATOM 420 CD ARG A 27 60.689 -17.551 26.446 1.00 0.00 C ATOM 421 NE ARG A 27 60.395 -16.379 25.609 1.00 0.00 N ATOM 422 CZ ARG A 27 59.909 -15.212 26.046 1.00 0.00 C ATOM 423 NH1 ARG A 27 59.656 -15.010 27.338 1.00 0.00 N ATOM 424 NH2 ARG A 27 59.673 -14.244 25.176 1.00 0.00 N ATOM 0 H ARG A 27 60.048 -19.608 28.340 1.00 0.00 H new ATOM 0 HA ARG A 27 59.972 -20.936 25.794 1.00 0.00 H new ATOM 0 HB2 ARG A 27 62.184 -19.605 27.394 1.00 0.00 H new ATOM 0 HB3 ARG A 27 62.514 -20.460 25.900 1.00 0.00 H new ATOM 0 HG2 ARG A 27 62.346 -18.208 25.247 1.00 0.00 H new ATOM 0 HG3 ARG A 27 60.805 -18.901 24.779 1.00 0.00 H new ATOM 0 HD2 ARG A 27 59.761 -17.958 26.848 1.00 0.00 H new ATOM 0 HD3 ARG A 27 61.301 -17.251 27.297 1.00 0.00 H new ATOM 0 HE ARG A 27 60.577 -16.463 24.609 1.00 0.00 H new ATOM 0 HH11 ARG A 27 59.833 -15.753 28.014 1.00 0.00 H new ATOM 0 HH12 ARG A 27 59.286 -14.113 27.651 1.00 0.00 H new ATOM 0 HH21 ARG A 27 59.862 -14.392 24.185 1.00 0.00 H new ATOM 0 HH22 ARG A 27 59.302 -13.349 25.497 1.00 0.00 H new ATOM 438 N VAL A 28 60.548 -23.277 26.529 1.00 0.00 N ATOM 439 CA VAL A 28 61.048 -24.654 26.659 1.00 0.00 C ATOM 440 C VAL A 28 61.434 -25.176 25.269 1.00 0.00 C ATOM 441 O VAL A 28 60.983 -24.637 24.255 1.00 0.00 O ATOM 442 CB VAL A 28 59.974 -25.616 27.306 1.00 0.00 C ATOM 443 CG1 VAL A 28 59.725 -25.270 28.787 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.652 -25.597 26.507 1.00 0.00 C ATOM 0 H VAL A 28 59.746 -23.198 25.904 1.00 0.00 H new ATOM 0 HA VAL A 28 61.915 -24.640 27.319 1.00 0.00 H new ATOM 0 HB VAL A 28 60.378 -26.628 27.265 1.00 0.00 H new ATOM 0 HG11 VAL A 28 58.981 -25.951 29.200 1.00 0.00 H new ATOM 0 HG12 VAL A 28 60.656 -25.368 29.345 1.00 0.00 H new ATOM 0 HG13 VAL A 28 59.361 -24.245 28.865 1.00 0.00 H new ATOM 0 HG21 VAL A 28 57.933 -26.269 26.977 1.00 0.00 H new ATOM 0 HG22 VAL A 28 58.249 -24.584 26.495 1.00 0.00 H new ATOM 0 HG23 VAL A 28 58.840 -25.925 25.485 1.00 0.00 H new ATOM 454 N ASN A 29 62.279 -26.216 25.238 1.00 0.00 N ATOM 455 CA ASN A 29 62.588 -26.966 24.005 1.00 0.00 C ATOM 456 C ASN A 29 61.309 -27.678 23.493 1.00 0.00 C ATOM 457 O ASN A 29 60.394 -27.963 24.279 1.00 0.00 O ATOM 458 CB ASN A 29 63.729 -27.988 24.279 1.00 0.00 C ATOM 459 CG ASN A 29 64.203 -28.779 23.046 1.00 0.00 C ATOM 460 OD1 ASN A 29 64.167 -28.295 21.915 1.00 0.00 O ATOM 461 ND2 ASN A 29 64.664 -30.005 23.260 1.00 0.00 N ATOM 0 H ASN A 29 62.768 -26.563 26.063 1.00 0.00 H new ATOM 0 HA ASN A 29 62.929 -26.277 23.232 1.00 0.00 H new ATOM 0 HB2 ASN A 29 64.581 -27.454 24.699 1.00 0.00 H new ATOM 0 HB3 ASN A 29 63.390 -28.694 25.037 1.00 0.00 H new ATOM 0 HD21 ASN A 29 64.998 -30.568 22.478 1.00 0.00 H new ATOM 0 HD22 ASN A 29 64.684 -30.384 24.207 1.00 0.00 H new ATOM 468 N SER A 30 61.272 -27.953 22.176 1.00 0.00 N ATOM 469 CA SER A 30 60.108 -28.532 21.464 1.00 0.00 C ATOM 470 C SER A 30 59.609 -29.866 22.069 1.00 0.00 C ATOM 471 O SER A 30 58.454 -30.249 21.839 1.00 0.00 O ATOM 472 CB SER A 30 60.468 -28.710 19.968 1.00 0.00 C ATOM 473 OG SER A 30 59.336 -29.067 19.188 1.00 0.00 O ATOM 0 H SER A 30 62.066 -27.777 21.560 1.00 0.00 H new ATOM 0 HA SER A 30 59.279 -27.833 21.577 1.00 0.00 H new ATOM 0 HB2 SER A 30 60.895 -27.783 19.585 1.00 0.00 H new ATOM 0 HB3 SER A 30 61.234 -29.479 19.868 1.00 0.00 H new ATOM 0 HG SER A 30 59.545 -28.953 18.237 1.00 0.00 H new ATOM 479 N GLN A 31 60.478 -30.565 22.834 1.00 0.00 N ATOM 480 CA GLN A 31 60.117 -31.817 23.543 1.00 0.00 C ATOM 481 C GLN A 31 58.918 -31.586 24.486 1.00 0.00 C ATOM 482 O GLN A 31 58.022 -32.432 24.600 1.00 0.00 O ATOM 483 CB GLN A 31 61.338 -32.361 24.342 1.00 0.00 C ATOM 484 CG GLN A 31 62.598 -32.647 23.497 1.00 0.00 C ATOM 485 CD GLN A 31 63.754 -33.259 24.306 1.00 0.00 C ATOM 486 OE1 GLN A 31 63.531 -33.989 25.274 1.00 0.00 O ATOM 487 NE2 GLN A 31 64.992 -32.980 23.917 1.00 0.00 N ATOM 0 H GLN A 31 61.447 -30.279 22.978 1.00 0.00 H new ATOM 0 HA GLN A 31 59.829 -32.559 22.799 1.00 0.00 H new ATOM 0 HB2 GLN A 31 61.596 -31.640 25.118 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.042 -33.280 24.847 1.00 0.00 H new ATOM 0 HG2 GLN A 31 62.335 -33.325 22.685 1.00 0.00 H new ATOM 0 HG3 GLN A 31 62.937 -31.718 23.039 1.00 0.00 H new ATOM 0 HE21 GLN A 31 65.149 -32.373 23.113 1.00 0.00 H new ATOM 0 HE22 GLN A 31 65.786 -33.373 24.423 1.00 0.00 H new ATOM 496 N ALA A 32 58.918 -30.411 25.135 1.00 0.00 N ATOM 497 CA ALA A 32 57.852 -29.973 26.049 1.00 0.00 C ATOM 498 C ALA A 32 56.951 -28.920 25.365 1.00 0.00 C ATOM 499 O ALA A 32 56.512 -27.959 26.008 1.00 0.00 O ATOM 500 CB ALA A 32 58.491 -29.429 27.341 1.00 0.00 C ATOM 0 H ALA A 32 59.670 -29.729 25.038 1.00 0.00 H new ATOM 0 HA ALA A 32 57.214 -30.818 26.307 1.00 0.00 H new ATOM 0 HB1 ALA A 32 57.708 -29.102 28.025 1.00 0.00 H new ATOM 0 HB2 ALA A 32 59.081 -30.214 27.814 1.00 0.00 H new ATOM 0 HB3 ALA A 32 59.138 -28.585 27.100 1.00 0.00 H new ATOM 506 N LEU A 33 56.640 -29.151 24.055 1.00 0.00 N ATOM 507 CA LEU A 33 55.753 -28.277 23.219 1.00 0.00 C ATOM 508 C LEU A 33 54.388 -27.935 23.880 1.00 0.00 C ATOM 509 O LEU A 33 53.709 -26.994 23.450 1.00 0.00 O ATOM 510 CB LEU A 33 55.512 -28.903 21.801 1.00 0.00 C ATOM 511 CG LEU A 33 54.607 -30.189 21.694 1.00 0.00 C ATOM 512 CD1 LEU A 33 54.249 -30.503 20.219 1.00 0.00 C ATOM 513 CD2 LEU A 33 55.264 -31.420 22.354 1.00 0.00 C ATOM 0 H LEU A 33 57.000 -29.956 23.543 1.00 0.00 H new ATOM 0 HA LEU A 33 56.296 -27.337 23.122 1.00 0.00 H new ATOM 0 HB2 LEU A 33 55.071 -28.133 21.169 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.486 -29.146 21.375 1.00 0.00 H new ATOM 0 HG LEU A 33 53.689 -29.969 22.239 1.00 0.00 H new ATOM 0 HD11 LEU A 33 53.624 -31.395 20.178 1.00 0.00 H new ATOM 0 HD12 LEU A 33 53.707 -29.661 19.789 1.00 0.00 H new ATOM 0 HD13 LEU A 33 55.164 -30.674 19.651 1.00 0.00 H new ATOM 0 HD21 LEU A 33 54.604 -32.282 22.255 1.00 0.00 H new ATOM 0 HD22 LEU A 33 56.214 -31.633 21.863 1.00 0.00 H new ATOM 0 HD23 LEU A 33 55.439 -31.216 23.410 1.00 0.00 H new ATOM 525 N LEU A 34 53.985 -28.719 24.891 1.00 0.00 N ATOM 526 CA LEU A 34 52.858 -28.388 25.787 1.00 0.00 C ATOM 527 C LEU A 34 53.336 -28.427 27.249 1.00 0.00 C ATOM 528 O LEU A 34 53.234 -27.433 27.984 1.00 0.00 O ATOM 529 CB LEU A 34 51.671 -29.376 25.571 1.00 0.00 C ATOM 530 CG LEU A 34 50.945 -29.291 24.190 1.00 0.00 C ATOM 531 CD1 LEU A 34 49.863 -30.384 24.046 1.00 0.00 C ATOM 532 CD2 LEU A 34 50.350 -27.886 23.964 1.00 0.00 C ATOM 0 H LEU A 34 54.433 -29.608 25.115 1.00 0.00 H new ATOM 0 HA LEU A 34 52.503 -27.384 25.554 1.00 0.00 H new ATOM 0 HB2 LEU A 34 52.043 -30.392 25.700 1.00 0.00 H new ATOM 0 HB3 LEU A 34 50.935 -29.204 26.356 1.00 0.00 H new ATOM 0 HG LEU A 34 51.692 -29.470 23.416 1.00 0.00 H new ATOM 0 HD11 LEU A 34 49.380 -30.292 23.073 1.00 0.00 H new ATOM 0 HD12 LEU A 34 50.326 -31.367 24.130 1.00 0.00 H new ATOM 0 HD13 LEU A 34 49.118 -30.265 24.833 1.00 0.00 H new ATOM 0 HD21 LEU A 34 49.850 -27.854 22.996 1.00 0.00 H new ATOM 0 HD22 LEU A 34 49.630 -27.665 24.752 1.00 0.00 H new ATOM 0 HD23 LEU A 34 51.149 -27.145 23.985 1.00 0.00 H new ATOM 544 N GLY A 35 53.866 -29.598 27.638 1.00 0.00 N ATOM 545 CA GLY A 35 54.277 -29.875 29.014 1.00 0.00 C ATOM 546 C GLY A 35 53.081 -30.008 29.961 1.00 0.00 C ATOM 547 O GLY A 35 51.989 -30.371 29.511 1.00 0.00 O ATOM 0 H GLY A 35 54.020 -30.379 27.000 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.861 -30.795 29.038 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.928 -29.074 29.365 1.00 0.00 H new ATOM 551 N PRO A 36 53.252 -29.738 31.290 1.00 0.00 N ATOM 552 CA PRO A 36 52.110 -29.627 32.234 1.00 0.00 C ATOM 553 C PRO A 36 51.359 -28.282 32.069 1.00 0.00 C ATOM 554 O PRO A 36 50.210 -28.143 32.503 1.00 0.00 O ATOM 555 CB PRO A 36 52.790 -29.751 33.622 1.00 0.00 C ATOM 556 CG PRO A 36 54.165 -29.187 33.412 1.00 0.00 C ATOM 557 CD PRO A 36 54.561 -29.559 31.990 1.00 0.00 C ATOM 0 HA PRO A 36 51.343 -30.384 32.071 1.00 0.00 H new ATOM 0 HB2 PRO A 36 52.244 -29.195 34.384 1.00 0.00 H new ATOM 0 HB3 PRO A 36 52.832 -30.789 33.953 1.00 0.00 H new ATOM 0 HG2 PRO A 36 54.167 -28.105 33.547 1.00 0.00 H new ATOM 0 HG3 PRO A 36 54.870 -29.600 34.134 1.00 0.00 H new ATOM 0 HD2 PRO A 36 55.160 -28.777 31.524 1.00 0.00 H new ATOM 0 HD3 PRO A 36 55.155 -30.472 31.966 1.00 0.00 H new ATOM 565 N ASP A 37 52.031 -27.312 31.414 1.00 0.00 N ATOM 566 CA ASP A 37 51.510 -25.950 31.183 1.00 0.00 C ATOM 567 C ASP A 37 50.360 -25.981 30.172 1.00 0.00 C ATOM 568 O ASP A 37 49.364 -25.266 30.320 1.00 0.00 O ATOM 569 CB ASP A 37 52.634 -25.024 30.652 1.00 0.00 C ATOM 570 CG ASP A 37 53.882 -24.979 31.554 1.00 0.00 C ATOM 571 OD1 ASP A 37 54.671 -25.950 31.531 1.00 0.00 O ATOM 572 OD2 ASP A 37 54.086 -23.980 32.282 1.00 0.00 O ATOM 0 H ASP A 37 52.963 -27.456 31.026 1.00 0.00 H new ATOM 0 HA ASP A 37 51.143 -25.562 32.133 1.00 0.00 H new ATOM 0 HB2 ASP A 37 52.928 -25.359 29.657 1.00 0.00 H new ATOM 0 HB3 ASP A 37 52.239 -24.014 30.544 1.00 0.00 H new ATOM 577 N GLY A 38 50.546 -26.796 29.112 1.00 0.00 N ATOM 578 CA GLY A 38 49.567 -26.935 28.028 1.00 0.00 C ATOM 579 C GLY A 38 49.582 -25.775 27.030 1.00 0.00 C ATOM 580 O GLY A 38 48.891 -25.814 26.017 1.00 0.00 O ATOM 0 H GLY A 38 51.379 -27.372 28.989 1.00 0.00 H new ATOM 0 HA2 GLY A 38 49.761 -27.865 27.493 1.00 0.00 H new ATOM 0 HA3 GLY A 38 48.570 -27.018 28.460 1.00 0.00 H new ATOM 584 N LYS A 39 50.384 -24.738 27.330 1.00 0.00 N ATOM 585 CA LYS A 39 50.508 -23.518 26.520 1.00 0.00 C ATOM 586 C LYS A 39 51.879 -22.878 26.797 1.00 0.00 C ATOM 587 O LYS A 39 52.114 -22.338 27.875 1.00 0.00 O ATOM 588 CB LYS A 39 49.290 -22.533 26.746 1.00 0.00 C ATOM 589 CG LYS A 39 48.653 -22.501 28.168 1.00 0.00 C ATOM 590 CD LYS A 39 49.473 -21.723 29.222 1.00 0.00 C ATOM 591 CE LYS A 39 48.844 -21.757 30.620 1.00 0.00 C ATOM 592 NZ LYS A 39 49.651 -20.989 31.617 1.00 0.00 N ATOM 0 H LYS A 39 50.976 -24.727 28.161 1.00 0.00 H new ATOM 0 HA LYS A 39 50.463 -23.770 25.461 1.00 0.00 H new ATOM 0 HB2 LYS A 39 49.622 -21.524 26.502 1.00 0.00 H new ATOM 0 HB3 LYS A 39 48.509 -22.793 26.032 1.00 0.00 H new ATOM 0 HG2 LYS A 39 47.661 -22.056 28.097 1.00 0.00 H new ATOM 0 HG3 LYS A 39 48.519 -23.526 28.515 1.00 0.00 H new ATOM 0 HD2 LYS A 39 50.478 -22.141 29.272 1.00 0.00 H new ATOM 0 HD3 LYS A 39 49.575 -20.686 28.901 1.00 0.00 H new ATOM 0 HE2 LYS A 39 47.836 -21.344 30.574 1.00 0.00 H new ATOM 0 HE3 LYS A 39 48.750 -22.792 30.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 49.190 -21.038 32.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 50.605 -21.398 31.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 49.720 -19.996 31.317 1.00 0.00 H new ATOM 606 N VAL A 40 52.816 -23.012 25.840 1.00 0.00 N ATOM 607 CA VAL A 40 54.222 -22.565 26.027 1.00 0.00 C ATOM 608 C VAL A 40 54.813 -22.003 24.730 1.00 0.00 C ATOM 609 O VAL A 40 54.222 -22.134 23.645 1.00 0.00 O ATOM 610 CB VAL A 40 55.164 -23.735 26.536 1.00 0.00 C ATOM 611 CG1 VAL A 40 54.783 -24.245 27.939 1.00 0.00 C ATOM 612 CG2 VAL A 40 55.206 -24.896 25.520 1.00 0.00 C ATOM 0 H VAL A 40 52.631 -23.426 24.926 1.00 0.00 H new ATOM 0 HA VAL A 40 54.182 -21.783 26.785 1.00 0.00 H new ATOM 0 HB VAL A 40 56.164 -23.310 26.620 1.00 0.00 H new ATOM 0 HG11 VAL A 40 55.463 -25.045 28.233 1.00 0.00 H new ATOM 0 HG12 VAL A 40 54.854 -23.427 28.655 1.00 0.00 H new ATOM 0 HG13 VAL A 40 53.762 -24.625 27.923 1.00 0.00 H new ATOM 0 HG21 VAL A 40 55.859 -25.684 25.895 1.00 0.00 H new ATOM 0 HG22 VAL A 40 54.201 -25.294 25.380 1.00 0.00 H new ATOM 0 HG23 VAL A 40 55.588 -24.531 24.566 1.00 0.00 H new ATOM 622 N ILE A 41 55.994 -21.377 24.884 1.00 0.00 N ATOM 623 CA ILE A 41 56.847 -20.960 23.775 1.00 0.00 C ATOM 624 C ILE A 41 57.817 -22.112 23.439 1.00 0.00 C ATOM 625 O ILE A 41 58.691 -22.465 24.245 1.00 0.00 O ATOM 626 CB ILE A 41 57.634 -19.633 24.095 1.00 0.00 C ATOM 627 CG1 ILE A 41 56.624 -18.470 24.363 1.00 0.00 C ATOM 628 CG2 ILE A 41 58.627 -19.268 22.951 1.00 0.00 C ATOM 629 CD1 ILE A 41 57.254 -17.124 24.638 1.00 0.00 C ATOM 0 H ILE A 41 56.381 -21.147 25.799 1.00 0.00 H new ATOM 0 HA ILE A 41 56.218 -20.740 22.913 1.00 0.00 H new ATOM 0 HB ILE A 41 58.230 -19.792 24.993 1.00 0.00 H new ATOM 0 HG12 ILE A 41 55.965 -18.376 23.500 1.00 0.00 H new ATOM 0 HG13 ILE A 41 55.999 -18.742 25.213 1.00 0.00 H new ATOM 0 HG21 ILE A 41 59.153 -18.348 23.205 1.00 0.00 H new ATOM 0 HG22 ILE A 41 59.349 -20.075 22.825 1.00 0.00 H new ATOM 0 HG23 ILE A 41 58.075 -19.126 22.022 1.00 0.00 H new ATOM 0 HD11 ILE A 41 56.472 -16.385 24.811 1.00 0.00 H new ATOM 0 HD12 ILE A 41 57.890 -17.193 25.521 1.00 0.00 H new ATOM 0 HD13 ILE A 41 57.856 -16.822 23.781 1.00 0.00 H new ATOM 641 N ILE A 42 57.590 -22.711 22.263 1.00 0.00 N ATOM 642 CA ILE A 42 58.385 -23.817 21.707 1.00 0.00 C ATOM 643 C ILE A 42 59.713 -23.265 21.168 1.00 0.00 C ATOM 644 O ILE A 42 59.712 -22.268 20.453 1.00 0.00 O ATOM 645 CB ILE A 42 57.610 -24.541 20.509 1.00 0.00 C ATOM 646 CG1 ILE A 42 56.360 -25.337 20.991 1.00 0.00 C ATOM 647 CG2 ILE A 42 58.532 -25.486 19.689 1.00 0.00 C ATOM 648 CD1 ILE A 42 55.274 -24.530 21.672 1.00 0.00 C ATOM 0 H ILE A 42 56.823 -22.431 21.651 1.00 0.00 H new ATOM 0 HA ILE A 42 58.561 -24.542 22.502 1.00 0.00 H new ATOM 0 HB ILE A 42 57.275 -23.730 19.863 1.00 0.00 H new ATOM 0 HG12 ILE A 42 55.922 -25.842 20.130 1.00 0.00 H new ATOM 0 HG13 ILE A 42 56.693 -26.113 21.680 1.00 0.00 H new ATOM 0 HG21 ILE A 42 57.957 -25.952 18.889 1.00 0.00 H new ATOM 0 HG22 ILE A 42 59.352 -24.911 19.259 1.00 0.00 H new ATOM 0 HG23 ILE A 42 58.935 -26.259 20.343 1.00 0.00 H new ATOM 0 HD11 ILE A 42 54.457 -25.191 21.962 1.00 0.00 H new ATOM 0 HD12 ILE A 42 55.682 -24.046 22.559 1.00 0.00 H new ATOM 0 HD13 ILE A 42 54.900 -23.771 20.985 1.00 0.00 H new ATOM 660 N ASP A 43 60.831 -23.912 21.519 1.00 0.00 N ATOM 661 CA ASP A 43 62.117 -23.707 20.829 1.00 0.00 C ATOM 662 C ASP A 43 62.357 -24.942 19.954 1.00 0.00 C ATOM 663 O ASP A 43 62.626 -26.038 20.468 1.00 0.00 O ATOM 664 CB ASP A 43 63.302 -23.504 21.813 1.00 0.00 C ATOM 665 CG ASP A 43 64.602 -23.070 21.080 1.00 0.00 C ATOM 666 OD1 ASP A 43 65.346 -23.942 20.572 1.00 0.00 O ATOM 667 OD2 ASP A 43 64.891 -21.855 21.017 1.00 0.00 O ATOM 0 H ASP A 43 60.874 -24.587 22.282 1.00 0.00 H new ATOM 0 HA ASP A 43 62.065 -22.795 20.235 1.00 0.00 H new ATOM 0 HB2 ASP A 43 63.034 -22.749 22.552 1.00 0.00 H new ATOM 0 HB3 ASP A 43 63.485 -24.431 22.356 1.00 0.00 H new ATOM 672 N HIS A 44 62.218 -24.764 18.638 1.00 0.00 N ATOM 673 CA HIS A 44 62.361 -25.836 17.647 1.00 0.00 C ATOM 674 C HIS A 44 63.430 -25.416 16.638 1.00 0.00 C ATOM 675 O HIS A 44 63.149 -24.632 15.724 1.00 0.00 O ATOM 676 CB HIS A 44 60.991 -26.107 16.967 1.00 0.00 C ATOM 677 CG HIS A 44 60.972 -27.292 16.035 1.00 0.00 C ATOM 678 ND1 HIS A 44 60.517 -28.541 16.407 1.00 0.00 N ATOM 679 CD2 HIS A 44 61.337 -27.409 14.734 1.00 0.00 C ATOM 680 CE1 HIS A 44 60.620 -29.363 15.386 1.00 0.00 C ATOM 681 NE2 HIS A 44 61.111 -28.705 14.359 1.00 0.00 N ATOM 0 H HIS A 44 62.000 -23.858 18.224 1.00 0.00 H new ATOM 0 HA HIS A 44 62.675 -26.767 18.120 1.00 0.00 H new ATOM 0 HB2 HIS A 44 60.240 -26.260 17.742 1.00 0.00 H new ATOM 0 HB3 HIS A 44 60.696 -25.218 16.409 1.00 0.00 H new ATOM 0 HD2 HIS A 44 61.734 -26.623 14.109 1.00 0.00 H new ATOM 0 HE1 HIS A 44 60.346 -30.408 15.390 1.00 0.00 H new ATOM 0 HE2 HIS A 44 61.293 -29.096 13.435 1.00 0.00 H new ATOM 690 N ASN A 45 64.668 -25.896 16.870 1.00 0.00 N ATOM 691 CA ASN A 45 65.845 -25.619 16.026 1.00 0.00 C ATOM 692 C ASN A 45 66.123 -24.090 16.000 1.00 0.00 C ATOM 693 O ASN A 45 66.404 -23.491 14.959 1.00 0.00 O ATOM 694 CB ASN A 45 65.637 -26.243 14.606 1.00 0.00 C ATOM 695 CG ASN A 45 66.925 -26.361 13.780 1.00 0.00 C ATOM 696 OD1 ASN A 45 67.629 -27.370 13.844 1.00 0.00 O ATOM 697 ND2 ASN A 45 67.246 -25.336 13.007 1.00 0.00 N ATOM 0 H ASN A 45 64.881 -26.499 17.665 1.00 0.00 H new ATOM 0 HA ASN A 45 66.736 -26.089 16.443 1.00 0.00 H new ATOM 0 HB2 ASN A 45 65.197 -27.234 14.717 1.00 0.00 H new ATOM 0 HB3 ASN A 45 64.919 -25.635 14.055 1.00 0.00 H new ATOM 0 HD21 ASN A 45 68.096 -25.368 12.444 1.00 0.00 H new ATOM 0 HD22 ASN A 45 66.644 -24.514 12.974 1.00 0.00 H new ATOM 704 N GLY A 46 66.007 -23.471 17.198 1.00 0.00 N ATOM 705 CA GLY A 46 66.204 -22.027 17.381 1.00 0.00 C ATOM 706 C GLY A 46 64.951 -21.186 17.112 1.00 0.00 C ATOM 707 O GLY A 46 64.879 -20.029 17.544 1.00 0.00 O ATOM 0 H GLY A 46 65.774 -23.964 18.060 1.00 0.00 H new ATOM 0 HA2 GLY A 46 66.540 -21.843 18.402 1.00 0.00 H new ATOM 0 HA3 GLY A 46 67.002 -21.693 16.718 1.00 0.00 H new ATOM 711 N GLN A 47 63.968 -21.764 16.389 1.00 0.00 N ATOM 712 CA GLN A 47 62.733 -21.064 15.971 1.00 0.00 C ATOM 713 C GLN A 47 61.688 -21.102 17.103 1.00 0.00 C ATOM 714 O GLN A 47 61.248 -22.192 17.500 1.00 0.00 O ATOM 715 CB GLN A 47 62.150 -21.746 14.711 1.00 0.00 C ATOM 716 CG GLN A 47 63.070 -21.744 13.477 1.00 0.00 C ATOM 717 CD GLN A 47 62.538 -22.639 12.353 1.00 0.00 C ATOM 718 OE1 GLN A 47 62.903 -23.814 12.248 1.00 0.00 O ATOM 719 NE2 GLN A 47 61.634 -22.113 11.537 1.00 0.00 N ATOM 0 H GLN A 47 64.009 -22.734 16.077 1.00 0.00 H new ATOM 0 HA GLN A 47 62.977 -20.026 15.747 1.00 0.00 H new ATOM 0 HB2 GLN A 47 61.903 -22.779 14.958 1.00 0.00 H new ATOM 0 HB3 GLN A 47 61.216 -21.249 14.448 1.00 0.00 H new ATOM 0 HG2 GLN A 47 63.176 -20.724 13.107 1.00 0.00 H new ATOM 0 HG3 GLN A 47 64.065 -22.082 13.768 1.00 0.00 H new ATOM 0 HE21 GLN A 47 61.352 -21.139 11.648 1.00 0.00 H new ATOM 0 HE22 GLN A 47 61.221 -22.683 10.799 1.00 0.00 H new ATOM 728 N GLU A 48 61.289 -19.918 17.608 1.00 0.00 N ATOM 729 CA GLU A 48 60.299 -19.806 18.700 1.00 0.00 C ATOM 730 C GLU A 48 58.861 -19.745 18.135 1.00 0.00 C ATOM 731 O GLU A 48 58.585 -19.020 17.165 1.00 0.00 O ATOM 732 CB GLU A 48 60.588 -18.587 19.639 1.00 0.00 C ATOM 733 CG GLU A 48 60.323 -17.169 19.060 1.00 0.00 C ATOM 734 CD GLU A 48 61.284 -16.750 17.933 1.00 0.00 C ATOM 735 OE1 GLU A 48 62.370 -16.213 18.238 1.00 0.00 O ATOM 736 OE2 GLU A 48 60.974 -16.966 16.744 1.00 0.00 O ATOM 0 H GLU A 48 61.639 -19.020 17.275 1.00 0.00 H new ATOM 0 HA GLU A 48 60.391 -20.704 19.310 1.00 0.00 H new ATOM 0 HB2 GLU A 48 59.985 -18.703 20.539 1.00 0.00 H new ATOM 0 HB3 GLU A 48 61.632 -18.637 19.947 1.00 0.00 H new ATOM 0 HG2 GLU A 48 59.301 -17.130 18.682 1.00 0.00 H new ATOM 0 HG3 GLU A 48 60.392 -16.441 19.869 1.00 0.00 H new ATOM 743 N TYR A 49 57.950 -20.546 18.725 1.00 0.00 N ATOM 744 CA TYR A 49 56.498 -20.512 18.418 1.00 0.00 C ATOM 745 C TYR A 49 55.719 -20.451 19.744 1.00 0.00 C ATOM 746 O TYR A 49 56.316 -20.515 20.808 1.00 0.00 O ATOM 747 CB TYR A 49 56.024 -21.756 17.602 1.00 0.00 C ATOM 748 CG TYR A 49 57.007 -22.303 16.552 1.00 0.00 C ATOM 749 CD1 TYR A 49 57.430 -21.549 15.453 1.00 0.00 C ATOM 750 CD2 TYR A 49 57.505 -23.602 16.660 1.00 0.00 C ATOM 751 CE1 TYR A 49 58.302 -22.073 14.517 1.00 0.00 C ATOM 752 CE2 TYR A 49 58.370 -24.123 15.731 1.00 0.00 C ATOM 753 CZ TYR A 49 58.774 -23.365 14.662 1.00 0.00 C ATOM 754 OH TYR A 49 59.646 -23.896 13.728 1.00 0.00 O ATOM 0 H TYR A 49 58.198 -21.239 19.431 1.00 0.00 H new ATOM 0 HA TYR A 49 56.308 -19.633 17.803 1.00 0.00 H new ATOM 0 HB2 TYR A 49 55.794 -22.557 18.304 1.00 0.00 H new ATOM 0 HB3 TYR A 49 55.093 -21.498 17.097 1.00 0.00 H new ATOM 0 HD1 TYR A 49 57.069 -20.538 15.333 1.00 0.00 H new ATOM 0 HD2 TYR A 49 57.202 -24.213 17.497 1.00 0.00 H new ATOM 0 HE1 TYR A 49 58.614 -21.475 13.674 1.00 0.00 H new ATOM 0 HE2 TYR A 49 58.734 -25.134 15.842 1.00 0.00 H new ATOM 0 HH TYR A 49 59.879 -24.813 13.982 1.00 0.00 H new ATOM 764 N LEU A 50 54.386 -20.361 19.661 1.00 0.00 N ATOM 765 CA LEU A 50 53.486 -20.404 20.829 1.00 0.00 C ATOM 766 C LEU A 50 52.385 -21.430 20.505 1.00 0.00 C ATOM 767 O LEU A 50 51.548 -21.178 19.638 1.00 0.00 O ATOM 768 CB LEU A 50 52.907 -18.966 21.105 1.00 0.00 C ATOM 769 CG LEU A 50 52.073 -18.704 22.422 1.00 0.00 C ATOM 770 CD1 LEU A 50 50.683 -19.385 22.426 1.00 0.00 C ATOM 771 CD2 LEU A 50 52.878 -19.084 23.685 1.00 0.00 C ATOM 0 H LEU A 50 53.893 -20.255 18.774 1.00 0.00 H new ATOM 0 HA LEU A 50 54.006 -20.707 21.738 1.00 0.00 H new ATOM 0 HB2 LEU A 50 53.746 -18.270 21.106 1.00 0.00 H new ATOM 0 HB3 LEU A 50 52.273 -18.701 20.259 1.00 0.00 H new ATOM 0 HG LEU A 50 51.883 -17.631 22.439 1.00 0.00 H new ATOM 0 HD11 LEU A 50 50.170 -19.160 23.361 1.00 0.00 H new ATOM 0 HD12 LEU A 50 50.092 -19.012 21.589 1.00 0.00 H new ATOM 0 HD13 LEU A 50 50.806 -20.464 22.330 1.00 0.00 H new ATOM 0 HD21 LEU A 50 52.275 -18.891 24.572 1.00 0.00 H new ATOM 0 HD22 LEU A 50 53.138 -20.142 23.646 1.00 0.00 H new ATOM 0 HD23 LEU A 50 53.789 -18.487 23.729 1.00 0.00 H new ATOM 783 N LEU A 51 52.417 -22.600 21.168 1.00 0.00 N ATOM 784 CA LEU A 51 51.369 -23.640 21.025 1.00 0.00 C ATOM 785 C LEU A 51 50.501 -23.593 22.272 1.00 0.00 C ATOM 786 O LEU A 51 51.028 -23.690 23.390 1.00 0.00 O ATOM 787 CB LEU A 51 51.977 -25.058 20.840 1.00 0.00 C ATOM 788 CG LEU A 51 50.976 -26.245 20.630 1.00 0.00 C ATOM 789 CD1 LEU A 51 50.057 -26.008 19.423 1.00 0.00 C ATOM 790 CD2 LEU A 51 51.724 -27.591 20.490 1.00 0.00 C ATOM 0 H LEU A 51 53.163 -22.855 21.815 1.00 0.00 H new ATOM 0 HA LEU A 51 50.779 -23.438 20.131 1.00 0.00 H new ATOM 0 HB2 LEU A 51 52.650 -25.028 19.983 1.00 0.00 H new ATOM 0 HB3 LEU A 51 52.586 -25.281 21.716 1.00 0.00 H new ATOM 0 HG LEU A 51 50.348 -26.295 21.520 1.00 0.00 H new ATOM 0 HD11 LEU A 51 49.378 -26.853 19.311 1.00 0.00 H new ATOM 0 HD12 LEU A 51 49.479 -25.097 19.579 1.00 0.00 H new ATOM 0 HD13 LEU A 51 50.660 -25.905 18.521 1.00 0.00 H new ATOM 0 HD21 LEU A 51 51.002 -28.395 20.346 1.00 0.00 H new ATOM 0 HD22 LEU A 51 52.395 -27.547 19.632 1.00 0.00 H new ATOM 0 HD23 LEU A 51 52.303 -27.781 21.394 1.00 0.00 H new ATOM 802 N ARG A 52 49.181 -23.416 22.087 1.00 0.00 N ATOM 803 CA ARG A 52 48.236 -23.299 23.203 1.00 0.00 C ATOM 804 C ARG A 52 47.097 -24.321 23.058 1.00 0.00 C ATOM 805 O ARG A 52 46.591 -24.548 21.947 1.00 0.00 O ATOM 806 CB ARG A 52 47.689 -21.838 23.302 1.00 0.00 C ATOM 807 CG ARG A 52 46.593 -21.432 22.279 1.00 0.00 C ATOM 808 CD ARG A 52 46.197 -19.942 22.382 1.00 0.00 C ATOM 809 NE ARG A 52 44.880 -19.661 21.766 1.00 0.00 N ATOM 810 CZ ARG A 52 44.562 -18.561 21.047 1.00 0.00 C ATOM 811 NH1 ARG A 52 45.491 -17.685 20.677 1.00 0.00 N ATOM 812 NH2 ARG A 52 43.313 -18.370 20.647 1.00 0.00 N ATOM 0 H ARG A 52 48.746 -23.351 21.167 1.00 0.00 H new ATOM 0 HA ARG A 52 48.760 -23.522 24.132 1.00 0.00 H new ATOM 0 HB2 ARG A 52 47.289 -21.692 24.305 1.00 0.00 H new ATOM 0 HB3 ARG A 52 48.529 -21.152 23.191 1.00 0.00 H new ATOM 0 HG2 ARG A 52 46.950 -21.639 21.270 1.00 0.00 H new ATOM 0 HG3 ARG A 52 45.709 -22.050 22.437 1.00 0.00 H new ATOM 0 HD2 ARG A 52 46.174 -19.647 23.431 1.00 0.00 H new ATOM 0 HD3 ARG A 52 46.959 -19.333 21.896 1.00 0.00 H new ATOM 0 HE ARG A 52 44.148 -20.359 21.896 1.00 0.00 H new ATOM 0 HH11 ARG A 52 46.466 -17.836 20.935 1.00 0.00 H new ATOM 0 HH12 ARG A 52 45.229 -16.862 20.135 1.00 0.00 H new ATOM 0 HH21 ARG A 52 42.592 -19.053 20.882 1.00 0.00 H new ATOM 0 HH22 ARG A 52 43.072 -17.540 20.105 1.00 0.00 H new ATOM 826 N LYS A 53 46.734 -24.970 24.178 1.00 0.00 N ATOM 827 CA LYS A 53 45.519 -25.791 24.270 1.00 0.00 C ATOM 828 C LYS A 53 44.317 -24.852 24.463 1.00 0.00 C ATOM 829 O LYS A 53 44.086 -24.337 25.566 1.00 0.00 O ATOM 830 CB LYS A 53 45.625 -26.830 25.428 1.00 0.00 C ATOM 831 CG LYS A 53 46.620 -27.980 25.153 1.00 0.00 C ATOM 832 CD LYS A 53 46.809 -28.935 26.357 1.00 0.00 C ATOM 833 CE LYS A 53 45.516 -29.645 26.769 1.00 0.00 C ATOM 834 NZ LYS A 53 45.718 -30.506 27.971 1.00 0.00 N ATOM 0 H LYS A 53 47.275 -24.939 25.042 1.00 0.00 H new ATOM 0 HA LYS A 53 45.390 -26.364 23.352 1.00 0.00 H new ATOM 0 HB2 LYS A 53 45.926 -26.313 26.339 1.00 0.00 H new ATOM 0 HB3 LYS A 53 44.638 -27.254 25.613 1.00 0.00 H new ATOM 0 HG2 LYS A 53 46.271 -28.555 24.295 1.00 0.00 H new ATOM 0 HG3 LYS A 53 47.587 -27.556 24.881 1.00 0.00 H new ATOM 0 HD2 LYS A 53 47.562 -29.682 26.106 1.00 0.00 H new ATOM 0 HD3 LYS A 53 47.192 -28.369 27.206 1.00 0.00 H new ATOM 0 HE2 LYS A 53 44.745 -28.904 26.978 1.00 0.00 H new ATOM 0 HE3 LYS A 53 45.156 -30.255 25.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 44.821 -30.970 28.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 46.436 -31.229 27.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 46.037 -29.920 28.768 1.00 0.00 H new ATOM 848 N THR A 54 43.607 -24.579 23.352 1.00 0.00 N ATOM 849 CA THR A 54 42.406 -23.733 23.355 1.00 0.00 C ATOM 850 C THR A 54 41.266 -24.451 24.099 1.00 0.00 C ATOM 851 O THR A 54 41.176 -25.696 24.036 1.00 0.00 O ATOM 852 CB THR A 54 41.949 -23.387 21.905 1.00 0.00 C ATOM 853 OG1 THR A 54 41.465 -24.561 21.255 1.00 0.00 O ATOM 854 CG2 THR A 54 43.096 -22.805 21.077 1.00 0.00 C ATOM 0 H THR A 54 43.852 -24.940 22.430 1.00 0.00 H new ATOM 0 HA THR A 54 42.652 -22.801 23.864 1.00 0.00 H new ATOM 0 HB THR A 54 41.158 -22.640 21.980 1.00 0.00 H new ATOM 0 HG1 THR A 54 40.645 -24.348 20.763 1.00 0.00 H new ATOM 0 HG21 THR A 54 42.740 -22.576 20.073 1.00 0.00 H new ATOM 0 HG22 THR A 54 43.460 -21.893 21.550 1.00 0.00 H new ATOM 0 HG23 THR A 54 43.907 -23.531 21.018 1.00 0.00 H new ATOM 862 N GLN A 55 40.388 -23.647 24.741 1.00 0.00 N ATOM 863 CA GLN A 55 39.350 -24.121 25.692 1.00 0.00 C ATOM 864 C GLN A 55 38.181 -24.860 25.000 1.00 0.00 C ATOM 865 O GLN A 55 37.344 -25.463 25.681 1.00 0.00 O ATOM 866 CB GLN A 55 38.837 -22.912 26.520 1.00 0.00 C ATOM 867 CG GLN A 55 39.939 -22.239 27.367 1.00 0.00 C ATOM 868 CD GLN A 55 39.458 -20.980 28.099 1.00 0.00 C ATOM 869 OE1 GLN A 55 39.550 -19.871 27.574 1.00 0.00 O ATOM 870 NE2 GLN A 55 38.943 -21.142 29.307 1.00 0.00 N ATOM 0 H GLN A 55 40.379 -22.635 24.613 1.00 0.00 H new ATOM 0 HA GLN A 55 39.810 -24.857 26.351 1.00 0.00 H new ATOM 0 HB2 GLN A 55 38.407 -22.174 25.843 1.00 0.00 H new ATOM 0 HB3 GLN A 55 38.035 -23.246 27.179 1.00 0.00 H new ATOM 0 HG2 GLN A 55 40.314 -22.955 28.098 1.00 0.00 H new ATOM 0 HG3 GLN A 55 40.776 -21.977 26.720 1.00 0.00 H new ATOM 0 HE21 GLN A 55 38.881 -22.075 29.714 1.00 0.00 H new ATOM 0 HE22 GLN A 55 38.608 -20.334 29.831 1.00 0.00 H new ATOM 879 N ALA A 56 38.127 -24.798 23.655 1.00 0.00 N ATOM 880 CA ALA A 56 37.195 -25.609 22.836 1.00 0.00 C ATOM 881 C ALA A 56 37.696 -27.068 22.722 1.00 0.00 C ATOM 882 O ALA A 56 36.944 -27.970 22.329 1.00 0.00 O ATOM 883 CB ALA A 56 37.028 -24.973 21.444 1.00 0.00 C ATOM 0 H ALA A 56 38.727 -24.185 23.103 1.00 0.00 H new ATOM 0 HA ALA A 56 36.222 -25.629 23.326 1.00 0.00 H new ATOM 0 HB1 ALA A 56 36.342 -25.575 20.849 1.00 0.00 H new ATOM 0 HB2 ALA A 56 36.627 -23.965 21.550 1.00 0.00 H new ATOM 0 HB3 ALA A 56 37.997 -24.928 20.946 1.00 0.00 H new ATOM 889 N GLY A 57 38.979 -27.277 23.095 1.00 0.00 N ATOM 890 CA GLY A 57 39.623 -28.591 23.086 1.00 0.00 C ATOM 891 C GLY A 57 40.506 -28.783 21.864 1.00 0.00 C ATOM 892 O GLY A 57 40.491 -29.853 21.245 1.00 0.00 O ATOM 0 H GLY A 57 39.593 -26.527 23.412 1.00 0.00 H new ATOM 0 HA2 GLY A 57 40.223 -28.707 23.989 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.860 -29.369 23.108 1.00 0.00 H new ATOM 896 N LYS A 58 41.297 -27.741 21.512 1.00 0.00 N ATOM 897 CA LYS A 58 42.143 -27.759 20.277 1.00 0.00 C ATOM 898 C LYS A 58 43.569 -27.259 20.566 1.00 0.00 C ATOM 899 O LYS A 58 43.893 -26.909 21.697 1.00 0.00 O ATOM 900 CB LYS A 58 41.506 -26.889 19.154 1.00 0.00 C ATOM 901 CG LYS A 58 40.094 -27.315 18.701 1.00 0.00 C ATOM 902 CD LYS A 58 39.477 -26.320 17.689 1.00 0.00 C ATOM 903 CE LYS A 58 39.357 -24.895 18.258 1.00 0.00 C ATOM 904 NZ LYS A 58 38.774 -23.948 17.270 1.00 0.00 N ATOM 0 H LYS A 58 41.372 -26.881 22.055 1.00 0.00 H new ATOM 0 HA LYS A 58 42.198 -28.794 19.940 1.00 0.00 H new ATOM 0 HB2 LYS A 58 41.461 -25.857 19.500 1.00 0.00 H new ATOM 0 HB3 LYS A 58 42.167 -26.906 18.287 1.00 0.00 H new ATOM 0 HG2 LYS A 58 40.143 -28.306 18.249 1.00 0.00 H new ATOM 0 HG3 LYS A 58 39.444 -27.394 19.572 1.00 0.00 H new ATOM 0 HD2 LYS A 58 40.090 -26.297 16.788 1.00 0.00 H new ATOM 0 HD3 LYS A 58 38.489 -26.674 17.394 1.00 0.00 H new ATOM 0 HE2 LYS A 58 38.735 -24.913 19.153 1.00 0.00 H new ATOM 0 HE3 LYS A 58 40.342 -24.541 18.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 38.711 -23.000 17.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 39.380 -23.910 16.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 37.823 -24.270 16.999 1.00 0.00 H new ATOM 918 N LEU A 59 44.400 -27.232 19.501 1.00 0.00 N ATOM 919 CA LEU A 59 45.800 -26.764 19.535 1.00 0.00 C ATOM 920 C LEU A 59 46.001 -25.651 18.501 1.00 0.00 C ATOM 921 O LEU A 59 45.633 -25.809 17.333 1.00 0.00 O ATOM 922 CB LEU A 59 46.769 -27.940 19.239 1.00 0.00 C ATOM 923 CG LEU A 59 46.889 -29.021 20.348 1.00 0.00 C ATOM 924 CD1 LEU A 59 47.768 -30.200 19.888 1.00 0.00 C ATOM 925 CD2 LEU A 59 47.424 -28.408 21.653 1.00 0.00 C ATOM 0 H LEU A 59 44.108 -27.542 18.574 1.00 0.00 H new ATOM 0 HA LEU A 59 46.016 -26.374 20.530 1.00 0.00 H new ATOM 0 HB2 LEU A 59 46.447 -28.427 18.319 1.00 0.00 H new ATOM 0 HB3 LEU A 59 47.761 -27.529 19.052 1.00 0.00 H new ATOM 0 HG LEU A 59 45.890 -29.412 20.543 1.00 0.00 H new ATOM 0 HD11 LEU A 59 47.832 -30.939 20.686 1.00 0.00 H new ATOM 0 HD12 LEU A 59 47.327 -30.659 19.003 1.00 0.00 H new ATOM 0 HD13 LEU A 59 48.767 -29.837 19.649 1.00 0.00 H new ATOM 0 HD21 LEU A 59 47.500 -29.184 22.415 1.00 0.00 H new ATOM 0 HD22 LEU A 59 48.409 -27.977 21.475 1.00 0.00 H new ATOM 0 HD23 LEU A 59 46.743 -27.629 21.995 1.00 0.00 H new ATOM 937 N LEU A 60 46.584 -24.529 18.944 1.00 0.00 N ATOM 938 CA LEU A 60 46.871 -23.363 18.087 1.00 0.00 C ATOM 939 C LEU A 60 48.369 -23.037 18.157 1.00 0.00 C ATOM 940 O LEU A 60 48.858 -22.517 19.168 1.00 0.00 O ATOM 941 CB LEU A 60 45.986 -22.135 18.483 1.00 0.00 C ATOM 942 CG LEU A 60 44.780 -21.812 17.533 1.00 0.00 C ATOM 943 CD1 LEU A 60 43.798 -22.994 17.399 1.00 0.00 C ATOM 944 CD2 LEU A 60 44.048 -20.540 17.993 1.00 0.00 C ATOM 0 H LEU A 60 46.873 -24.401 19.914 1.00 0.00 H new ATOM 0 HA LEU A 60 46.618 -23.606 17.055 1.00 0.00 H new ATOM 0 HB2 LEU A 60 45.595 -22.304 19.486 1.00 0.00 H new ATOM 0 HB3 LEU A 60 46.626 -21.254 18.535 1.00 0.00 H new ATOM 0 HG LEU A 60 45.197 -21.636 16.541 1.00 0.00 H new ATOM 0 HD11 LEU A 60 42.983 -22.716 16.731 1.00 0.00 H new ATOM 0 HD12 LEU A 60 44.322 -23.858 16.992 1.00 0.00 H new ATOM 0 HD13 LEU A 60 43.394 -23.244 18.380 1.00 0.00 H new ATOM 0 HD21 LEU A 60 43.216 -20.336 17.320 1.00 0.00 H new ATOM 0 HD22 LEU A 60 43.669 -20.684 19.005 1.00 0.00 H new ATOM 0 HD23 LEU A 60 44.740 -19.698 17.981 1.00 0.00 H new ATOM 956 N LEU A 61 49.085 -23.390 17.074 1.00 0.00 N ATOM 957 CA LEU A 61 50.532 -23.152 16.910 1.00 0.00 C ATOM 958 C LEU A 61 50.690 -21.863 16.094 1.00 0.00 C ATOM 959 O LEU A 61 50.507 -21.860 14.869 1.00 0.00 O ATOM 960 CB LEU A 61 51.187 -24.395 16.209 1.00 0.00 C ATOM 961 CG LEU A 61 52.764 -24.502 16.137 1.00 0.00 C ATOM 962 CD1 LEU A 61 53.404 -23.538 15.103 1.00 0.00 C ATOM 963 CD2 LEU A 61 53.404 -24.329 17.534 1.00 0.00 C ATOM 0 H LEU A 61 48.665 -23.859 16.271 1.00 0.00 H new ATOM 0 HA LEU A 61 51.040 -23.028 17.866 1.00 0.00 H new ATOM 0 HB2 LEU A 61 50.821 -25.288 16.716 1.00 0.00 H new ATOM 0 HB3 LEU A 61 50.809 -24.432 15.187 1.00 0.00 H new ATOM 0 HG LEU A 61 52.978 -25.510 15.781 1.00 0.00 H new ATOM 0 HD11 LEU A 61 54.486 -23.666 15.108 1.00 0.00 H new ATOM 0 HD12 LEU A 61 53.017 -23.761 14.109 1.00 0.00 H new ATOM 0 HD13 LEU A 61 53.159 -22.509 15.365 1.00 0.00 H new ATOM 0 HD21 LEU A 61 54.488 -24.408 17.450 1.00 0.00 H new ATOM 0 HD22 LEU A 61 53.141 -23.350 17.936 1.00 0.00 H new ATOM 0 HD23 LEU A 61 53.034 -25.107 18.202 1.00 0.00 H new ATOM 975 N THR A 62 50.974 -20.768 16.795 1.00 0.00 N ATOM 976 CA THR A 62 51.091 -19.422 16.215 1.00 0.00 C ATOM 977 C THR A 62 52.398 -18.764 16.695 1.00 0.00 C ATOM 978 O THR A 62 52.727 -18.835 17.879 1.00 0.00 O ATOM 979 CB THR A 62 49.872 -18.527 16.625 1.00 0.00 C ATOM 980 OG1 THR A 62 49.748 -18.482 18.062 1.00 0.00 O ATOM 981 CG2 THR A 62 48.554 -19.037 16.012 1.00 0.00 C ATOM 0 H THR A 62 51.133 -20.786 17.802 1.00 0.00 H new ATOM 0 HA THR A 62 51.101 -19.515 15.129 1.00 0.00 H new ATOM 0 HB THR A 62 50.060 -17.525 16.238 1.00 0.00 H new ATOM 0 HG1 THR A 62 50.640 -18.499 18.468 1.00 0.00 H new ATOM 0 HG21 THR A 62 47.734 -18.389 16.321 1.00 0.00 H new ATOM 0 HG22 THR A 62 48.632 -19.030 14.925 1.00 0.00 H new ATOM 0 HG23 THR A 62 48.362 -20.053 16.356 1.00 0.00 H new ATOM 989 N LYS A 63 53.130 -18.125 15.769 1.00 0.00 N ATOM 990 CA LYS A 63 54.430 -17.487 16.044 1.00 0.00 C ATOM 991 C LYS A 63 54.346 -15.981 15.680 1.00 0.00 C ATOM 992 O LYS A 63 54.717 -15.583 14.557 1.00 0.00 O ATOM 993 CB LYS A 63 55.611 -18.237 15.307 1.00 0.00 C ATOM 994 CG LYS A 63 55.350 -18.684 13.836 1.00 0.00 C ATOM 995 CD LYS A 63 54.474 -19.961 13.714 1.00 0.00 C ATOM 996 CE LYS A 63 54.212 -20.371 12.257 1.00 0.00 C ATOM 997 NZ LYS A 63 55.466 -20.709 11.526 1.00 0.00 N ATOM 998 OXT LYS A 63 53.839 -15.202 16.510 1.00 0.00 O ATOM 0 H LYS A 63 52.834 -18.035 14.797 1.00 0.00 H new ATOM 0 HA LYS A 63 54.657 -17.563 17.107 1.00 0.00 H new ATOM 0 HB2 LYS A 63 56.484 -17.585 15.314 1.00 0.00 H new ATOM 0 HB3 LYS A 63 55.868 -19.121 15.890 1.00 0.00 H new ATOM 0 HG2 LYS A 63 54.864 -17.869 13.299 1.00 0.00 H new ATOM 0 HG3 LYS A 63 56.307 -18.863 13.345 1.00 0.00 H new ATOM 0 HD2 LYS A 63 54.965 -20.783 14.234 1.00 0.00 H new ATOM 0 HD3 LYS A 63 53.521 -19.791 14.215 1.00 0.00 H new ATOM 0 HE2 LYS A 63 53.542 -21.231 12.240 1.00 0.00 H new ATOM 0 HE3 LYS A 63 53.702 -19.558 11.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 55.230 -21.060 10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 56.060 -19.859 11.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 55.984 -21.444 12.048 1.00 0.00 H new