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 90:sc= -0.135 USER MOD Set 1.2: A 44 HIS : no HE2:sc= 0.373 K(o=-0.32,f=-3.4) USER MOD Set 1.3: A 49 TYR OH : rot 180:sc= -0.558 USER MOD Single : A 29 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.0072) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0908) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 90:sc= -0.824 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 160:sc= -0.388 USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0197) USER MOD ----------------------------------------------------------------- ATOM 355 N ALA A 23 50.315 -16.421 25.162 1.00 0.00 N ATOM 356 CA ALA A 23 49.718 -17.306 26.172 1.00 0.00 C ATOM 357 C ALA A 23 50.647 -17.229 27.374 1.00 0.00 C ATOM 358 O ALA A 23 50.276 -16.751 28.446 1.00 0.00 O ATOM 359 CB ALA A 23 49.562 -18.768 25.696 1.00 0.00 C ATOM 0 HA ALA A 23 48.703 -16.981 26.399 1.00 0.00 H new ATOM 0 HB1 ALA A 23 49.115 -19.364 26.492 1.00 0.00 H new ATOM 0 HB2 ALA A 23 48.919 -18.798 24.816 1.00 0.00 H new ATOM 0 HB3 ALA A 23 50.541 -19.175 25.444 1.00 0.00 H new ATOM 365 N ALA A 24 51.903 -17.639 27.127 1.00 0.00 N ATOM 366 CA ALA A 24 53.011 -17.511 28.074 1.00 0.00 C ATOM 367 C ALA A 24 54.331 -17.433 27.300 1.00 0.00 C ATOM 368 O ALA A 24 54.488 -18.113 26.278 1.00 0.00 O ATOM 369 CB ALA A 24 53.022 -18.683 29.076 1.00 0.00 C ATOM 0 H ALA A 24 52.176 -18.076 26.246 1.00 0.00 H new ATOM 0 HA ALA A 24 52.883 -16.596 28.652 1.00 0.00 H new ATOM 0 HB1 ALA A 24 53.856 -18.562 29.768 1.00 0.00 H new ATOM 0 HB2 ALA A 24 52.086 -18.693 29.634 1.00 0.00 H new ATOM 0 HB3 ALA A 24 53.132 -19.623 28.535 1.00 0.00 H new ATOM 375 N GLU A 25 55.284 -16.612 27.794 1.00 0.00 N ATOM 376 CA GLU A 25 56.629 -16.453 27.179 1.00 0.00 C ATOM 377 C GLU A 25 57.619 -17.523 27.693 1.00 0.00 C ATOM 378 O GLU A 25 58.836 -17.292 27.754 1.00 0.00 O ATOM 379 CB GLU A 25 57.182 -15.029 27.446 1.00 0.00 C ATOM 380 CG GLU A 25 56.424 -13.897 26.734 1.00 0.00 C ATOM 381 CD GLU A 25 57.189 -12.561 26.805 1.00 0.00 C ATOM 382 OE1 GLU A 25 58.071 -12.333 25.948 1.00 0.00 O ATOM 383 OE2 GLU A 25 56.933 -11.754 27.723 1.00 0.00 O ATOM 0 H GLU A 25 55.147 -16.041 28.628 1.00 0.00 H new ATOM 0 HA GLU A 25 56.520 -16.593 26.103 1.00 0.00 H new ATOM 0 HB2 GLU A 25 57.160 -14.842 28.520 1.00 0.00 H new ATOM 0 HB3 GLU A 25 58.227 -14.997 27.138 1.00 0.00 H new ATOM 0 HG2 GLU A 25 56.263 -14.168 25.691 1.00 0.00 H new ATOM 0 HG3 GLU A 25 55.440 -13.777 27.188 1.00 0.00 H new ATOM 390 N ARG A 26 57.100 -18.711 28.024 1.00 0.00 N ATOM 391 CA ARG A 26 57.912 -19.838 28.478 1.00 0.00 C ATOM 392 C ARG A 26 58.390 -20.656 27.260 1.00 0.00 C ATOM 393 O ARG A 26 57.664 -21.523 26.754 1.00 0.00 O ATOM 394 CB ARG A 26 57.093 -20.697 29.482 1.00 0.00 C ATOM 395 CG ARG A 26 57.829 -21.927 30.065 1.00 0.00 C ATOM 396 CD ARG A 26 59.123 -21.563 30.816 1.00 0.00 C ATOM 397 NE ARG A 26 58.882 -20.644 31.947 1.00 0.00 N ATOM 398 CZ ARG A 26 59.188 -20.888 33.235 1.00 0.00 C ATOM 399 NH1 ARG A 26 59.712 -22.051 33.611 1.00 0.00 N ATOM 400 NH2 ARG A 26 58.968 -19.953 34.143 1.00 0.00 N ATOM 0 H ARG A 26 56.101 -18.915 27.983 1.00 0.00 H new ATOM 0 HA ARG A 26 58.800 -19.480 29.000 1.00 0.00 H new ATOM 0 HB2 ARG A 26 56.780 -20.058 30.308 1.00 0.00 H new ATOM 0 HB3 ARG A 26 56.187 -21.041 28.983 1.00 0.00 H new ATOM 0 HG2 ARG A 26 57.159 -22.454 30.744 1.00 0.00 H new ATOM 0 HG3 ARG A 26 58.069 -22.616 29.255 1.00 0.00 H new ATOM 0 HD2 ARG A 26 59.593 -22.474 31.186 1.00 0.00 H new ATOM 0 HD3 ARG A 26 59.825 -21.102 30.121 1.00 0.00 H new ATOM 0 HE ARG A 26 58.446 -19.747 31.734 1.00 0.00 H new ATOM 0 HH11 ARG A 26 59.889 -22.778 32.918 1.00 0.00 H new ATOM 0 HH12 ARG A 26 59.937 -22.216 34.592 1.00 0.00 H new ATOM 0 HH21 ARG A 26 58.570 -19.056 33.865 1.00 0.00 H new ATOM 0 HH22 ARG A 26 59.197 -20.128 35.121 1.00 0.00 H new ATOM 414 N ARG A 27 59.598 -20.319 26.759 1.00 0.00 N ATOM 415 CA ARG A 27 60.244 -21.061 25.671 1.00 0.00 C ATOM 416 C ARG A 27 60.889 -22.317 26.255 1.00 0.00 C ATOM 417 O ARG A 27 61.915 -22.238 26.945 1.00 0.00 O ATOM 418 CB ARG A 27 61.315 -20.223 24.906 1.00 0.00 C ATOM 419 CG ARG A 27 60.777 -18.977 24.166 1.00 0.00 C ATOM 420 CD ARG A 27 60.531 -17.771 25.084 1.00 0.00 C ATOM 421 NE ARG A 27 59.971 -16.626 24.353 1.00 0.00 N ATOM 422 CZ ARG A 27 59.854 -15.380 24.832 1.00 0.00 C ATOM 423 NH1 ARG A 27 60.328 -15.066 26.026 1.00 0.00 N ATOM 424 NH2 ARG A 27 59.262 -14.445 24.109 1.00 0.00 N ATOM 0 H ARG A 27 60.145 -19.528 27.100 1.00 0.00 H new ATOM 0 HA ARG A 27 59.475 -21.315 24.942 1.00 0.00 H new ATOM 0 HB2 ARG A 27 62.076 -19.902 25.617 1.00 0.00 H new ATOM 0 HB3 ARG A 27 61.809 -20.870 24.181 1.00 0.00 H new ATOM 0 HG2 ARG A 27 61.487 -18.692 23.389 1.00 0.00 H new ATOM 0 HG3 ARG A 27 59.844 -19.237 23.665 1.00 0.00 H new ATOM 0 HD2 ARG A 27 59.849 -18.058 25.884 1.00 0.00 H new ATOM 0 HD3 ARG A 27 61.469 -17.477 25.555 1.00 0.00 H new ATOM 0 HE ARG A 27 59.644 -16.794 23.401 1.00 0.00 H new ATOM 0 HH11 ARG A 27 60.789 -15.776 26.594 1.00 0.00 H new ATOM 0 HH12 ARG A 27 60.232 -14.114 26.378 1.00 0.00 H new ATOM 0 HH21 ARG A 27 58.894 -14.672 23.185 1.00 0.00 H new ATOM 0 HH22 ARG A 27 59.174 -13.497 24.475 1.00 0.00 H new ATOM 438 N VAL A 28 60.236 -23.455 26.032 1.00 0.00 N ATOM 439 CA VAL A 28 60.759 -24.779 26.392 1.00 0.00 C ATOM 440 C VAL A 28 61.091 -25.534 25.107 1.00 0.00 C ATOM 441 O VAL A 28 60.493 -25.263 24.069 1.00 0.00 O ATOM 442 CB VAL A 28 59.725 -25.610 27.241 1.00 0.00 C ATOM 443 CG1 VAL A 28 59.510 -24.977 28.630 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.389 -25.755 26.485 1.00 0.00 C ATOM 0 H VAL A 28 59.317 -23.489 25.591 1.00 0.00 H new ATOM 0 HA VAL A 28 61.650 -24.644 27.005 1.00 0.00 H new ATOM 0 HB VAL A 28 60.138 -26.607 27.393 1.00 0.00 H new ATOM 0 HG11 VAL A 28 58.791 -25.572 29.194 1.00 0.00 H new ATOM 0 HG12 VAL A 28 60.458 -24.948 29.167 1.00 0.00 H new ATOM 0 HG13 VAL A 28 59.128 -23.963 28.513 1.00 0.00 H new ATOM 0 HG21 VAL A 28 57.690 -26.332 27.090 1.00 0.00 H new ATOM 0 HG22 VAL A 28 57.971 -24.767 26.291 1.00 0.00 H new ATOM 0 HG23 VAL A 28 58.560 -26.268 25.539 1.00 0.00 H new ATOM 454 N ASN A 29 62.035 -26.485 25.192 1.00 0.00 N ATOM 455 CA ASN A 29 62.423 -27.357 24.056 1.00 0.00 C ATOM 456 C ASN A 29 61.180 -28.041 23.430 1.00 0.00 C ATOM 457 O ASN A 29 60.187 -28.275 24.131 1.00 0.00 O ATOM 458 CB ASN A 29 63.433 -28.438 24.528 1.00 0.00 C ATOM 459 CG ASN A 29 64.696 -27.840 25.139 1.00 0.00 C ATOM 460 OD1 ASN A 29 65.665 -27.547 24.440 1.00 0.00 O ATOM 461 ND2 ASN A 29 64.690 -27.652 26.446 1.00 0.00 N ATOM 0 H ASN A 29 62.555 -26.676 26.048 1.00 0.00 H new ATOM 0 HA ASN A 29 62.893 -26.731 23.297 1.00 0.00 H new ATOM 0 HB2 ASN A 29 62.951 -29.084 25.262 1.00 0.00 H new ATOM 0 HB3 ASN A 29 63.707 -29.067 23.681 1.00 0.00 H new ATOM 0 HD21 ASN A 29 65.507 -27.252 26.907 1.00 0.00 H new ATOM 0 HD22 ASN A 29 63.868 -27.907 26.994 1.00 0.00 H new ATOM 468 N SER A 30 61.256 -28.321 22.116 1.00 0.00 N ATOM 469 CA SER A 30 60.164 -28.953 21.318 1.00 0.00 C ATOM 470 C SER A 30 59.528 -30.200 21.984 1.00 0.00 C ATOM 471 O SER A 30 58.323 -30.438 21.860 1.00 0.00 O ATOM 472 CB SER A 30 60.729 -29.336 19.931 1.00 0.00 C ATOM 473 OG SER A 30 61.377 -28.238 19.320 1.00 0.00 O ATOM 0 H SER A 30 62.087 -28.115 21.561 1.00 0.00 H new ATOM 0 HA SER A 30 59.362 -28.219 21.240 1.00 0.00 H new ATOM 0 HB2 SER A 30 61.432 -30.162 20.038 1.00 0.00 H new ATOM 0 HB3 SER A 30 59.920 -29.686 19.290 1.00 0.00 H new ATOM 0 HG SER A 30 62.324 -28.234 19.574 1.00 0.00 H new ATOM 479 N GLN A 31 60.363 -30.978 22.689 1.00 0.00 N ATOM 480 CA GLN A 31 59.938 -32.192 23.426 1.00 0.00 C ATOM 481 C GLN A 31 58.844 -31.883 24.485 1.00 0.00 C ATOM 482 O GLN A 31 57.978 -32.718 24.766 1.00 0.00 O ATOM 483 CB GLN A 31 61.190 -32.838 24.082 1.00 0.00 C ATOM 484 CG GLN A 31 61.937 -31.924 25.085 1.00 0.00 C ATOM 485 CD GLN A 31 63.273 -32.496 25.580 1.00 0.00 C ATOM 486 OE1 GLN A 31 63.963 -33.217 24.858 1.00 0.00 O ATOM 487 NE2 GLN A 31 63.647 -32.177 26.818 1.00 0.00 N ATOM 0 H GLN A 31 61.362 -30.786 22.768 1.00 0.00 H new ATOM 0 HA GLN A 31 59.487 -32.891 22.722 1.00 0.00 H new ATOM 0 HB2 GLN A 31 60.885 -33.748 24.598 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.884 -33.135 23.295 1.00 0.00 H new ATOM 0 HG2 GLN A 31 62.120 -30.959 24.613 1.00 0.00 H new ATOM 0 HG3 GLN A 31 61.292 -31.742 25.944 1.00 0.00 H new ATOM 0 HE21 GLN A 31 63.054 -31.578 27.392 1.00 0.00 H new ATOM 0 HE22 GLN A 31 64.527 -32.532 27.192 1.00 0.00 H new ATOM 496 N ALA A 32 58.904 -30.675 25.068 1.00 0.00 N ATOM 497 CA ALA A 32 57.953 -30.197 26.087 1.00 0.00 C ATOM 498 C ALA A 32 56.955 -29.174 25.503 1.00 0.00 C ATOM 499 O ALA A 32 56.475 -28.299 26.233 1.00 0.00 O ATOM 500 CB ALA A 32 58.761 -29.595 27.248 1.00 0.00 C ATOM 0 H ALA A 32 59.626 -29.991 24.841 1.00 0.00 H new ATOM 0 HA ALA A 32 57.353 -31.032 26.447 1.00 0.00 H new ATOM 0 HB1 ALA A 32 58.079 -29.233 28.017 1.00 0.00 H new ATOM 0 HB2 ALA A 32 59.413 -30.359 27.672 1.00 0.00 H new ATOM 0 HB3 ALA A 32 59.365 -28.766 26.880 1.00 0.00 H new ATOM 506 N LEU A 33 56.622 -29.328 24.195 1.00 0.00 N ATOM 507 CA LEU A 33 55.706 -28.422 23.440 1.00 0.00 C ATOM 508 C LEU A 33 54.383 -28.056 24.181 1.00 0.00 C ATOM 509 O LEU A 33 53.763 -27.035 23.869 1.00 0.00 O ATOM 510 CB LEU A 33 55.362 -29.033 22.045 1.00 0.00 C ATOM 511 CG LEU A 33 54.466 -30.330 22.013 1.00 0.00 C ATOM 512 CD1 LEU A 33 53.932 -30.593 20.591 1.00 0.00 C ATOM 513 CD2 LEU A 33 55.217 -31.578 22.542 1.00 0.00 C ATOM 0 H LEU A 33 56.984 -30.093 23.625 1.00 0.00 H new ATOM 0 HA LEU A 33 56.261 -27.490 23.334 1.00 0.00 H new ATOM 0 HB2 LEU A 33 54.860 -28.264 21.457 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.300 -29.261 21.538 1.00 0.00 H new ATOM 0 HG LEU A 33 53.624 -30.147 22.681 1.00 0.00 H new ATOM 0 HD11 LEU A 33 53.317 -31.493 20.594 1.00 0.00 H new ATOM 0 HD12 LEU A 33 53.331 -29.744 20.265 1.00 0.00 H new ATOM 0 HD13 LEU A 33 54.770 -30.729 19.907 1.00 0.00 H new ATOM 0 HD21 LEU A 33 54.557 -32.445 22.500 1.00 0.00 H new ATOM 0 HD22 LEU A 33 56.097 -31.761 21.926 1.00 0.00 H new ATOM 0 HD23 LEU A 33 55.525 -31.407 23.573 1.00 0.00 H new ATOM 525 N LEU A 34 53.956 -28.895 25.146 1.00 0.00 N ATOM 526 CA LEU A 34 52.786 -28.619 26.008 1.00 0.00 C ATOM 527 C LEU A 34 53.193 -28.708 27.488 1.00 0.00 C ATOM 528 O LEU A 34 53.237 -27.690 28.204 1.00 0.00 O ATOM 529 CB LEU A 34 51.624 -29.606 25.680 1.00 0.00 C ATOM 530 CG LEU A 34 51.013 -29.487 24.244 1.00 0.00 C ATOM 531 CD1 LEU A 34 49.923 -30.553 24.000 1.00 0.00 C ATOM 532 CD2 LEU A 34 50.465 -28.064 24.009 1.00 0.00 C ATOM 0 H LEU A 34 54.412 -29.784 25.351 1.00 0.00 H new ATOM 0 HA LEU A 34 52.428 -27.608 25.813 1.00 0.00 H new ATOM 0 HB2 LEU A 34 51.988 -30.624 25.816 1.00 0.00 H new ATOM 0 HB3 LEU A 34 50.827 -29.453 26.407 1.00 0.00 H new ATOM 0 HG LEU A 34 51.809 -29.672 23.523 1.00 0.00 H new ATOM 0 HD11 LEU A 34 49.522 -30.439 22.993 1.00 0.00 H new ATOM 0 HD12 LEU A 34 50.356 -31.547 24.108 1.00 0.00 H new ATOM 0 HD13 LEU A 34 49.121 -30.426 24.727 1.00 0.00 H new ATOM 0 HD21 LEU A 34 50.044 -27.997 23.006 1.00 0.00 H new ATOM 0 HD22 LEU A 34 49.690 -27.847 24.744 1.00 0.00 H new ATOM 0 HD23 LEU A 34 51.274 -27.341 24.111 1.00 0.00 H new ATOM 544 N GLY A 35 53.499 -29.932 27.937 1.00 0.00 N ATOM 545 CA GLY A 35 53.885 -30.193 29.325 1.00 0.00 C ATOM 546 C GLY A 35 52.723 -30.054 30.319 1.00 0.00 C ATOM 547 O GLY A 35 51.559 -30.244 29.935 1.00 0.00 O ATOM 0 H GLY A 35 53.485 -30.765 27.349 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.296 -31.200 29.397 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.680 -29.504 29.609 1.00 0.00 H new ATOM 551 N PRO A 36 53.014 -29.725 31.631 1.00 0.00 N ATOM 552 CA PRO A 36 51.964 -29.492 32.660 1.00 0.00 C ATOM 553 C PRO A 36 51.186 -28.176 32.416 1.00 0.00 C ATOM 554 O PRO A 36 50.099 -27.976 32.965 1.00 0.00 O ATOM 555 CB PRO A 36 52.766 -29.445 33.983 1.00 0.00 C ATOM 556 CG PRO A 36 54.125 -28.953 33.572 1.00 0.00 C ATOM 557 CD PRO A 36 54.383 -29.560 32.203 1.00 0.00 C ATOM 0 HA PRO A 36 51.195 -30.264 32.654 1.00 0.00 H new ATOM 0 HB2 PRO A 36 52.302 -28.775 34.707 1.00 0.00 H new ATOM 0 HB3 PRO A 36 52.823 -30.428 34.450 1.00 0.00 H new ATOM 0 HG2 PRO A 36 54.151 -27.864 33.529 1.00 0.00 H new ATOM 0 HG3 PRO A 36 54.887 -29.262 34.288 1.00 0.00 H new ATOM 0 HD2 PRO A 36 55.000 -28.908 31.585 1.00 0.00 H new ATOM 0 HD3 PRO A 36 54.904 -30.514 32.279 1.00 0.00 H new ATOM 565 N ASP A 37 51.763 -27.299 31.580 1.00 0.00 N ATOM 566 CA ASP A 37 51.195 -25.976 31.257 1.00 0.00 C ATOM 567 C ASP A 37 50.136 -26.110 30.162 1.00 0.00 C ATOM 568 O ASP A 37 48.983 -25.696 30.330 1.00 0.00 O ATOM 569 CB ASP A 37 52.320 -25.027 30.775 1.00 0.00 C ATOM 570 CG ASP A 37 53.488 -24.936 31.767 1.00 0.00 C ATOM 571 OD1 ASP A 37 54.343 -25.848 31.769 1.00 0.00 O ATOM 572 OD2 ASP A 37 53.557 -23.964 32.548 1.00 0.00 O ATOM 0 H ASP A 37 52.645 -27.488 31.104 1.00 0.00 H new ATOM 0 HA ASP A 37 50.731 -25.564 32.153 1.00 0.00 H new ATOM 0 HB2 ASP A 37 52.694 -25.374 29.812 1.00 0.00 H new ATOM 0 HB3 ASP A 37 51.906 -24.031 30.616 1.00 0.00 H new ATOM 577 N GLY A 38 50.567 -26.686 29.030 1.00 0.00 N ATOM 578 CA GLY A 38 49.732 -26.817 27.837 1.00 0.00 C ATOM 579 C GLY A 38 49.749 -25.576 26.945 1.00 0.00 C ATOM 580 O GLY A 38 49.255 -25.616 25.820 1.00 0.00 O ATOM 0 H GLY A 38 51.505 -27.073 28.921 1.00 0.00 H new ATOM 0 HA2 GLY A 38 50.071 -27.676 27.258 1.00 0.00 H new ATOM 0 HA3 GLY A 38 48.706 -27.022 28.142 1.00 0.00 H new ATOM 584 N LYS A 39 50.333 -24.475 27.445 1.00 0.00 N ATOM 585 CA LYS A 39 50.352 -23.181 26.749 1.00 0.00 C ATOM 586 C LYS A 39 51.747 -22.534 26.840 1.00 0.00 C ATOM 587 O LYS A 39 51.973 -21.554 27.559 1.00 0.00 O ATOM 588 CB LYS A 39 49.186 -22.262 27.270 1.00 0.00 C ATOM 589 CG LYS A 39 48.809 -22.409 28.775 1.00 0.00 C ATOM 590 CD LYS A 39 49.904 -21.906 29.743 1.00 0.00 C ATOM 591 CE LYS A 39 49.523 -22.050 31.225 1.00 0.00 C ATOM 592 NZ LYS A 39 48.293 -21.286 31.555 1.00 0.00 N ATOM 0 H LYS A 39 50.807 -24.459 28.348 1.00 0.00 H new ATOM 0 HA LYS A 39 50.165 -23.333 25.686 1.00 0.00 H new ATOM 0 HB2 LYS A 39 49.461 -21.223 27.086 1.00 0.00 H new ATOM 0 HB3 LYS A 39 48.297 -22.466 26.673 1.00 0.00 H new ATOM 0 HG2 LYS A 39 47.888 -21.858 28.965 1.00 0.00 H new ATOM 0 HG3 LYS A 39 48.603 -23.458 28.988 1.00 0.00 H new ATOM 0 HD2 LYS A 39 50.825 -22.459 29.557 1.00 0.00 H new ATOM 0 HD3 LYS A 39 50.113 -20.858 29.530 1.00 0.00 H new ATOM 0 HE2 LYS A 39 49.371 -23.103 31.460 1.00 0.00 H new ATOM 0 HE3 LYS A 39 50.346 -21.700 31.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 48.144 -21.296 32.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 48.397 -20.304 31.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 47.476 -21.723 31.083 1.00 0.00 H new ATOM 606 N VAL A 40 52.683 -23.102 26.069 1.00 0.00 N ATOM 607 CA VAL A 40 54.104 -22.706 26.086 1.00 0.00 C ATOM 608 C VAL A 40 54.634 -22.599 24.657 1.00 0.00 C ATOM 609 O VAL A 40 54.054 -23.151 23.718 1.00 0.00 O ATOM 610 CB VAL A 40 55.003 -23.715 26.890 1.00 0.00 C ATOM 611 CG1 VAL A 40 54.688 -23.696 28.399 1.00 0.00 C ATOM 612 CG2 VAL A 40 54.883 -25.139 26.306 1.00 0.00 C ATOM 0 H VAL A 40 52.478 -23.854 25.411 1.00 0.00 H new ATOM 0 HA VAL A 40 54.155 -21.739 26.587 1.00 0.00 H new ATOM 0 HB VAL A 40 56.038 -23.390 26.782 1.00 0.00 H new ATOM 0 HG11 VAL A 40 55.333 -24.408 28.914 1.00 0.00 H new ATOM 0 HG12 VAL A 40 54.863 -22.696 28.795 1.00 0.00 H new ATOM 0 HG13 VAL A 40 53.645 -23.971 28.556 1.00 0.00 H new ATOM 0 HG21 VAL A 40 55.513 -25.821 26.877 1.00 0.00 H new ATOM 0 HG22 VAL A 40 53.846 -25.469 26.363 1.00 0.00 H new ATOM 0 HG23 VAL A 40 55.205 -25.134 25.265 1.00 0.00 H new ATOM 622 N ILE A 41 55.749 -21.889 24.519 1.00 0.00 N ATOM 623 CA ILE A 41 56.395 -21.650 23.232 1.00 0.00 C ATOM 624 C ILE A 41 57.359 -22.808 22.900 1.00 0.00 C ATOM 625 O ILE A 41 58.270 -23.122 23.687 1.00 0.00 O ATOM 626 CB ILE A 41 57.162 -20.283 23.258 1.00 0.00 C ATOM 627 CG1 ILE A 41 56.219 -19.121 23.713 1.00 0.00 C ATOM 628 CG2 ILE A 41 57.785 -19.978 21.883 1.00 0.00 C ATOM 629 CD1 ILE A 41 56.850 -17.738 23.723 1.00 0.00 C ATOM 0 H ILE A 41 56.235 -21.459 25.306 1.00 0.00 H new ATOM 0 HA ILE A 41 55.632 -21.602 22.455 1.00 0.00 H new ATOM 0 HB ILE A 41 57.970 -20.364 23.985 1.00 0.00 H new ATOM 0 HG12 ILE A 41 55.350 -19.101 23.055 1.00 0.00 H new ATOM 0 HG13 ILE A 41 55.854 -19.343 24.716 1.00 0.00 H new ATOM 0 HG21 ILE A 41 58.312 -19.025 21.926 1.00 0.00 H new ATOM 0 HG22 ILE A 41 58.487 -20.769 21.618 1.00 0.00 H new ATOM 0 HG23 ILE A 41 56.998 -19.924 21.131 1.00 0.00 H new ATOM 0 HD11 ILE A 41 56.114 -17.005 24.053 1.00 0.00 H new ATOM 0 HD12 ILE A 41 57.700 -17.731 24.405 1.00 0.00 H new ATOM 0 HD13 ILE A 41 57.189 -17.485 22.718 1.00 0.00 H new ATOM 641 N ILE A 42 57.109 -23.455 21.748 1.00 0.00 N ATOM 642 CA ILE A 42 57.980 -24.496 21.191 1.00 0.00 C ATOM 643 C ILE A 42 59.295 -23.857 20.706 1.00 0.00 C ATOM 644 O ILE A 42 59.315 -23.163 19.685 1.00 0.00 O ATOM 645 CB ILE A 42 57.302 -25.234 19.971 1.00 0.00 C ATOM 646 CG1 ILE A 42 55.875 -25.750 20.327 1.00 0.00 C ATOM 647 CG2 ILE A 42 58.191 -26.393 19.454 1.00 0.00 C ATOM 648 CD1 ILE A 42 55.127 -26.381 19.161 1.00 0.00 C ATOM 0 H ILE A 42 56.287 -23.265 21.174 1.00 0.00 H new ATOM 0 HA ILE A 42 58.168 -25.226 21.978 1.00 0.00 H new ATOM 0 HB ILE A 42 57.197 -24.501 19.171 1.00 0.00 H new ATOM 0 HG12 ILE A 42 55.956 -26.482 21.130 1.00 0.00 H new ATOM 0 HG13 ILE A 42 55.286 -24.918 20.713 1.00 0.00 H new ATOM 0 HG21 ILE A 42 57.698 -26.883 18.614 1.00 0.00 H new ATOM 0 HG22 ILE A 42 59.153 -25.997 19.130 1.00 0.00 H new ATOM 0 HG23 ILE A 42 58.348 -27.116 20.254 1.00 0.00 H new ATOM 0 HD11 ILE A 42 54.144 -26.713 19.496 1.00 0.00 H new ATOM 0 HD12 ILE A 42 55.010 -25.647 18.364 1.00 0.00 H new ATOM 0 HD13 ILE A 42 55.690 -27.236 18.787 1.00 0.00 H new ATOM 660 N ASP A 43 60.365 -24.075 21.463 1.00 0.00 N ATOM 661 CA ASP A 43 61.720 -23.680 21.079 1.00 0.00 C ATOM 662 C ASP A 43 62.334 -24.809 20.248 1.00 0.00 C ATOM 663 O ASP A 43 62.413 -25.958 20.723 1.00 0.00 O ATOM 664 CB ASP A 43 62.573 -23.398 22.337 1.00 0.00 C ATOM 665 CG ASP A 43 64.008 -22.986 21.993 1.00 0.00 C ATOM 666 OD1 ASP A 43 64.203 -21.870 21.459 1.00 0.00 O ATOM 667 OD2 ASP A 43 64.948 -23.770 22.249 1.00 0.00 O ATOM 0 H ASP A 43 60.318 -24.536 22.372 1.00 0.00 H new ATOM 0 HA ASP A 43 61.690 -22.765 20.488 1.00 0.00 H new ATOM 0 HB2 ASP A 43 62.102 -22.608 22.922 1.00 0.00 H new ATOM 0 HB3 ASP A 43 62.595 -24.289 22.964 1.00 0.00 H new ATOM 672 N HIS A 44 62.735 -24.482 19.007 1.00 0.00 N ATOM 673 CA HIS A 44 63.260 -25.462 18.045 1.00 0.00 C ATOM 674 C HIS A 44 64.318 -24.801 17.143 1.00 0.00 C ATOM 675 O HIS A 44 63.974 -24.140 16.150 1.00 0.00 O ATOM 676 CB HIS A 44 62.086 -26.034 17.205 1.00 0.00 C ATOM 677 CG HIS A 44 62.459 -27.153 16.257 1.00 0.00 C ATOM 678 ND1 HIS A 44 62.517 -28.474 16.644 1.00 0.00 N ATOM 679 CD2 HIS A 44 62.770 -27.144 14.933 1.00 0.00 C ATOM 680 CE1 HIS A 44 62.849 -29.223 15.609 1.00 0.00 C ATOM 681 NE2 HIS A 44 63.009 -28.445 14.562 1.00 0.00 N ATOM 0 H HIS A 44 62.703 -23.529 18.644 1.00 0.00 H new ATOM 0 HA HIS A 44 63.740 -26.283 18.578 1.00 0.00 H new ATOM 0 HB2 HIS A 44 61.316 -26.397 17.886 1.00 0.00 H new ATOM 0 HB3 HIS A 44 61.644 -25.222 16.628 1.00 0.00 H new ATOM 0 HD1 HIS A 44 62.332 -28.820 17.585 1.00 0.00 H new ATOM 0 HD2 HIS A 44 62.820 -26.276 14.293 1.00 0.00 H new ATOM 0 HE1 HIS A 44 62.969 -30.296 15.621 1.00 0.00 H new ATOM 690 N ASN A 45 65.597 -24.967 17.533 1.00 0.00 N ATOM 691 CA ASN A 45 66.776 -24.492 16.767 1.00 0.00 C ATOM 692 C ASN A 45 66.739 -22.975 16.535 1.00 0.00 C ATOM 693 O ASN A 45 67.003 -22.482 15.432 1.00 0.00 O ATOM 694 CB ASN A 45 66.931 -25.270 15.434 1.00 0.00 C ATOM 695 CG ASN A 45 67.331 -26.721 15.646 1.00 0.00 C ATOM 696 OD1 ASN A 45 66.492 -27.622 15.661 1.00 0.00 O ATOM 697 ND2 ASN A 45 68.615 -26.933 15.888 1.00 0.00 N ATOM 0 H ASN A 45 65.848 -25.441 18.401 1.00 0.00 H new ATOM 0 HA ASN A 45 67.658 -24.697 17.374 1.00 0.00 H new ATOM 0 HB2 ASN A 45 65.990 -25.233 14.885 1.00 0.00 H new ATOM 0 HB3 ASN A 45 67.681 -24.777 14.815 1.00 0.00 H new ATOM 0 HD21 ASN A 45 68.946 -27.875 16.098 1.00 0.00 H new ATOM 0 HD22 ASN A 45 69.274 -26.155 15.864 1.00 0.00 H new ATOM 704 N GLY A 46 66.414 -22.246 17.602 1.00 0.00 N ATOM 705 CA GLY A 46 66.266 -20.788 17.555 1.00 0.00 C ATOM 706 C GLY A 46 64.874 -20.325 17.125 1.00 0.00 C ATOM 707 O GLY A 46 64.445 -19.222 17.489 1.00 0.00 O ATOM 0 H GLY A 46 66.245 -22.648 18.524 1.00 0.00 H new ATOM 0 HA2 GLY A 46 66.488 -20.377 18.540 1.00 0.00 H new ATOM 0 HA3 GLY A 46 67.004 -20.379 16.866 1.00 0.00 H new ATOM 711 N GLN A 47 64.164 -21.165 16.348 1.00 0.00 N ATOM 712 CA GLN A 47 62.809 -20.851 15.878 1.00 0.00 C ATOM 713 C GLN A 47 61.801 -21.202 16.978 1.00 0.00 C ATOM 714 O GLN A 47 61.564 -22.383 17.266 1.00 0.00 O ATOM 715 CB GLN A 47 62.472 -21.631 14.587 1.00 0.00 C ATOM 716 CG GLN A 47 63.405 -21.356 13.392 1.00 0.00 C ATOM 717 CD GLN A 47 62.885 -21.975 12.092 1.00 0.00 C ATOM 718 OE1 GLN A 47 63.211 -23.110 11.745 1.00 0.00 O ATOM 719 NE2 GLN A 47 62.064 -21.222 11.374 1.00 0.00 N ATOM 0 H GLN A 47 64.513 -22.070 16.033 1.00 0.00 H new ATOM 0 HA GLN A 47 62.756 -19.786 15.650 1.00 0.00 H new ATOM 0 HB2 GLN A 47 62.497 -22.698 14.809 1.00 0.00 H new ATOM 0 HB3 GLN A 47 61.450 -21.391 14.293 1.00 0.00 H new ATOM 0 HG2 GLN A 47 63.515 -20.280 13.260 1.00 0.00 H new ATOM 0 HG3 GLN A 47 64.396 -21.753 13.609 1.00 0.00 H new ATOM 0 HE21 GLN A 47 61.818 -20.286 11.696 1.00 0.00 H new ATOM 0 HE22 GLN A 47 61.678 -21.579 10.500 1.00 0.00 H new ATOM 728 N GLU A 48 61.247 -20.164 17.602 1.00 0.00 N ATOM 729 CA GLU A 48 60.242 -20.294 18.648 1.00 0.00 C ATOM 730 C GLU A 48 58.838 -20.011 18.060 1.00 0.00 C ATOM 731 O GLU A 48 58.680 -19.117 17.217 1.00 0.00 O ATOM 732 CB GLU A 48 60.569 -19.329 19.815 1.00 0.00 C ATOM 733 CG GLU A 48 60.495 -17.833 19.466 1.00 0.00 C ATOM 734 CD GLU A 48 60.552 -16.937 20.704 1.00 0.00 C ATOM 735 OE1 GLU A 48 59.539 -16.868 21.429 1.00 0.00 O ATOM 736 OE2 GLU A 48 61.596 -16.293 20.956 1.00 0.00 O ATOM 0 H GLU A 48 61.489 -19.196 17.390 1.00 0.00 H new ATOM 0 HA GLU A 48 60.248 -21.311 19.040 1.00 0.00 H new ATOM 0 HB2 GLU A 48 59.880 -19.529 20.635 1.00 0.00 H new ATOM 0 HB3 GLU A 48 61.572 -19.552 20.180 1.00 0.00 H new ATOM 0 HG2 GLU A 48 61.319 -17.578 18.799 1.00 0.00 H new ATOM 0 HG3 GLU A 48 59.572 -17.636 18.922 1.00 0.00 H new ATOM 743 N TYR A 49 57.837 -20.816 18.464 1.00 0.00 N ATOM 744 CA TYR A 49 56.424 -20.648 18.035 1.00 0.00 C ATOM 745 C TYR A 49 55.498 -21.098 19.174 1.00 0.00 C ATOM 746 O TYR A 49 55.608 -22.231 19.648 1.00 0.00 O ATOM 747 CB TYR A 49 56.090 -21.431 16.711 1.00 0.00 C ATOM 748 CG TYR A 49 57.189 -22.375 16.194 1.00 0.00 C ATOM 749 CD1 TYR A 49 57.355 -23.658 16.718 1.00 0.00 C ATOM 750 CD2 TYR A 49 58.080 -21.969 15.197 1.00 0.00 C ATOM 751 CE1 TYR A 49 58.355 -24.494 16.266 1.00 0.00 C ATOM 752 CE2 TYR A 49 59.076 -22.803 14.739 1.00 0.00 C ATOM 753 CZ TYR A 49 59.215 -24.059 15.276 1.00 0.00 C ATOM 754 OH TYR A 49 60.221 -24.883 14.824 1.00 0.00 O ATOM 0 H TYR A 49 57.979 -21.603 19.097 1.00 0.00 H new ATOM 0 HA TYR A 49 56.266 -19.592 17.814 1.00 0.00 H new ATOM 0 HB2 TYR A 49 55.184 -22.015 16.876 1.00 0.00 H new ATOM 0 HB3 TYR A 49 55.864 -20.705 15.930 1.00 0.00 H new ATOM 0 HD1 TYR A 49 56.687 -24.003 17.493 1.00 0.00 H new ATOM 0 HD2 TYR A 49 57.986 -20.979 14.776 1.00 0.00 H new ATOM 0 HE1 TYR A 49 58.465 -25.484 16.684 1.00 0.00 H new ATOM 0 HE2 TYR A 49 59.746 -22.470 13.960 1.00 0.00 H new ATOM 0 HH TYR A 49 60.733 -24.422 14.127 1.00 0.00 H new ATOM 764 N LEU A 50 54.566 -20.216 19.573 1.00 0.00 N ATOM 765 CA LEU A 50 53.682 -20.447 20.727 1.00 0.00 C ATOM 766 C LEU A 50 52.638 -21.532 20.395 1.00 0.00 C ATOM 767 O LEU A 50 51.921 -21.416 19.409 1.00 0.00 O ATOM 768 CB LEU A 50 53.024 -19.090 21.139 1.00 0.00 C ATOM 769 CG LEU A 50 52.026 -19.059 22.367 1.00 0.00 C ATOM 770 CD1 LEU A 50 50.591 -19.510 22.001 1.00 0.00 C ATOM 771 CD2 LEU A 50 52.571 -19.859 23.576 1.00 0.00 C ATOM 0 H LEU A 50 54.405 -19.324 19.105 1.00 0.00 H new ATOM 0 HA LEU A 50 54.256 -20.818 21.576 1.00 0.00 H new ATOM 0 HB2 LEU A 50 53.829 -18.386 21.352 1.00 0.00 H new ATOM 0 HB3 LEU A 50 52.488 -18.708 20.270 1.00 0.00 H new ATOM 0 HG LEU A 50 51.956 -18.012 22.660 1.00 0.00 H new ATOM 0 HD11 LEU A 50 49.958 -19.465 22.887 1.00 0.00 H new ATOM 0 HD12 LEU A 50 50.187 -18.850 21.233 1.00 0.00 H new ATOM 0 HD13 LEU A 50 50.616 -20.533 21.624 1.00 0.00 H new ATOM 0 HD21 LEU A 50 51.855 -19.811 24.396 1.00 0.00 H new ATOM 0 HD22 LEU A 50 52.722 -20.899 23.286 1.00 0.00 H new ATOM 0 HD23 LEU A 50 53.520 -19.431 23.898 1.00 0.00 H new ATOM 783 N LEU A 51 52.562 -22.568 21.240 1.00 0.00 N ATOM 784 CA LEU A 51 51.518 -23.600 21.171 1.00 0.00 C ATOM 785 C LEU A 51 50.693 -23.552 22.461 1.00 0.00 C ATOM 786 O LEU A 51 51.244 -23.727 23.553 1.00 0.00 O ATOM 787 CB LEU A 51 52.144 -25.002 20.973 1.00 0.00 C ATOM 788 CG LEU A 51 51.132 -26.163 20.715 1.00 0.00 C ATOM 789 CD1 LEU A 51 50.306 -25.904 19.446 1.00 0.00 C ATOM 790 CD2 LEU A 51 51.842 -27.524 20.642 1.00 0.00 C ATOM 0 H LEU A 51 53.229 -22.715 21.998 1.00 0.00 H new ATOM 0 HA LEU A 51 50.870 -23.407 20.316 1.00 0.00 H new ATOM 0 HB2 LEU A 51 52.837 -24.955 20.133 1.00 0.00 H new ATOM 0 HB3 LEU A 51 52.731 -25.246 21.858 1.00 0.00 H new ATOM 0 HG LEU A 51 50.447 -26.195 21.562 1.00 0.00 H new ATOM 0 HD11 LEU A 51 49.610 -26.728 19.291 1.00 0.00 H new ATOM 0 HD12 LEU A 51 49.748 -24.974 19.558 1.00 0.00 H new ATOM 0 HD13 LEU A 51 50.973 -25.826 18.587 1.00 0.00 H new ATOM 0 HD21 LEU A 51 51.107 -28.309 20.462 1.00 0.00 H new ATOM 0 HD22 LEU A 51 52.568 -27.513 19.829 1.00 0.00 H new ATOM 0 HD23 LEU A 51 52.355 -27.718 21.584 1.00 0.00 H new ATOM 802 N ARG A 52 49.380 -23.295 22.334 1.00 0.00 N ATOM 803 CA ARG A 52 48.469 -23.225 23.491 1.00 0.00 C ATOM 804 C ARG A 52 47.268 -24.161 23.291 1.00 0.00 C ATOM 805 O ARG A 52 46.700 -24.240 22.198 1.00 0.00 O ATOM 806 CB ARG A 52 48.011 -21.761 23.740 1.00 0.00 C ATOM 807 CG ARG A 52 47.214 -21.130 22.577 1.00 0.00 C ATOM 808 CD ARG A 52 46.834 -19.667 22.836 1.00 0.00 C ATOM 809 NE ARG A 52 45.908 -19.520 23.977 1.00 0.00 N ATOM 810 CZ ARG A 52 45.647 -18.371 24.635 1.00 0.00 C ATOM 811 NH1 ARG A 52 46.324 -17.255 24.374 1.00 0.00 N ATOM 812 NH2 ARG A 52 44.721 -18.359 25.581 1.00 0.00 N ATOM 0 H ARG A 52 48.923 -23.131 21.437 1.00 0.00 H new ATOM 0 HA ARG A 52 49.008 -23.560 24.377 1.00 0.00 H new ATOM 0 HB2 ARG A 52 47.397 -21.734 24.640 1.00 0.00 H new ATOM 0 HB3 ARG A 52 48.890 -21.147 23.936 1.00 0.00 H new ATOM 0 HG2 ARG A 52 47.806 -21.190 21.664 1.00 0.00 H new ATOM 0 HG3 ARG A 52 46.307 -21.711 22.408 1.00 0.00 H new ATOM 0 HD2 ARG A 52 47.737 -19.088 23.028 1.00 0.00 H new ATOM 0 HD3 ARG A 52 46.372 -19.250 21.941 1.00 0.00 H new ATOM 0 HE ARG A 52 45.424 -20.359 24.295 1.00 0.00 H new ATOM 0 HH11 ARG A 52 47.057 -17.257 23.664 1.00 0.00 H new ATOM 0 HH12 ARG A 52 46.110 -16.398 24.884 1.00 0.00 H new ATOM 0 HH21 ARG A 52 44.212 -19.213 25.807 1.00 0.00 H new ATOM 0 HH22 ARG A 52 44.517 -17.495 26.084 1.00 0.00 H new ATOM 826 N LYS A 53 46.911 -24.893 24.357 1.00 0.00 N ATOM 827 CA LYS A 53 45.713 -25.734 24.392 1.00 0.00 C ATOM 828 C LYS A 53 44.489 -24.836 24.579 1.00 0.00 C ATOM 829 O LYS A 53 44.215 -24.377 25.699 1.00 0.00 O ATOM 830 CB LYS A 53 45.804 -26.792 25.532 1.00 0.00 C ATOM 831 CG LYS A 53 46.808 -27.935 25.267 1.00 0.00 C ATOM 832 CD LYS A 53 46.988 -28.891 26.467 1.00 0.00 C ATOM 833 CE LYS A 53 45.675 -29.548 26.922 1.00 0.00 C ATOM 834 NZ LYS A 53 45.889 -30.468 28.071 1.00 0.00 N ATOM 0 H LYS A 53 47.451 -24.916 25.222 1.00 0.00 H new ATOM 0 HA LYS A 53 45.627 -26.280 23.453 1.00 0.00 H new ATOM 0 HB2 LYS A 53 46.083 -26.288 26.457 1.00 0.00 H new ATOM 0 HB3 LYS A 53 44.815 -27.223 25.690 1.00 0.00 H new ATOM 0 HG2 LYS A 53 46.473 -28.509 24.403 1.00 0.00 H new ATOM 0 HG3 LYS A 53 47.775 -27.505 25.008 1.00 0.00 H new ATOM 0 HD2 LYS A 53 47.702 -29.670 26.199 1.00 0.00 H new ATOM 0 HD3 LYS A 53 47.418 -28.338 27.302 1.00 0.00 H new ATOM 0 HE2 LYS A 53 44.960 -28.775 27.203 1.00 0.00 H new ATOM 0 HE3 LYS A 53 45.237 -30.100 26.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 44.981 -30.892 28.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 46.552 -31.220 27.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 46.283 -29.936 28.873 1.00 0.00 H new ATOM 848 N THR A 54 43.798 -24.555 23.464 1.00 0.00 N ATOM 849 CA THR A 54 42.558 -23.774 23.467 1.00 0.00 C ATOM 850 C THR A 54 41.491 -24.554 24.244 1.00 0.00 C ATOM 851 O THR A 54 41.373 -25.786 24.071 1.00 0.00 O ATOM 852 CB THR A 54 42.033 -23.478 22.014 1.00 0.00 C ATOM 853 OG1 THR A 54 41.602 -24.690 21.394 1.00 0.00 O ATOM 854 CG2 THR A 54 43.111 -22.842 21.139 1.00 0.00 C ATOM 0 H THR A 54 44.086 -24.864 22.536 1.00 0.00 H new ATOM 0 HA THR A 54 42.765 -22.813 23.939 1.00 0.00 H new ATOM 0 HB THR A 54 41.202 -22.779 22.108 1.00 0.00 H new ATOM 0 HG1 THR A 54 40.653 -24.837 21.588 1.00 0.00 H new ATOM 0 HG21 THR A 54 42.708 -22.654 20.144 1.00 0.00 H new ATOM 0 HG22 THR A 54 43.433 -21.901 21.584 1.00 0.00 H new ATOM 0 HG23 THR A 54 43.963 -23.517 21.063 1.00 0.00 H new ATOM 862 N GLN A 55 40.727 -23.821 25.066 1.00 0.00 N ATOM 863 CA GLN A 55 39.685 -24.376 25.953 1.00 0.00 C ATOM 864 C GLN A 55 38.444 -24.840 25.145 1.00 0.00 C ATOM 865 O GLN A 55 37.521 -25.442 25.699 1.00 0.00 O ATOM 866 CB GLN A 55 39.312 -23.314 27.028 1.00 0.00 C ATOM 867 CG GLN A 55 40.519 -22.799 27.841 1.00 0.00 C ATOM 868 CD GLN A 55 40.160 -21.709 28.852 1.00 0.00 C ATOM 869 OE1 GLN A 55 40.172 -20.521 28.527 1.00 0.00 O ATOM 870 NE2 GLN A 55 39.841 -22.095 30.081 1.00 0.00 N ATOM 0 H GLN A 55 40.814 -22.807 25.137 1.00 0.00 H new ATOM 0 HA GLN A 55 40.074 -25.262 26.455 1.00 0.00 H new ATOM 0 HB2 GLN A 55 38.829 -22.469 26.538 1.00 0.00 H new ATOM 0 HB3 GLN A 55 38.582 -23.745 27.713 1.00 0.00 H new ATOM 0 HG2 GLN A 55 40.974 -23.637 28.370 1.00 0.00 H new ATOM 0 HG3 GLN A 55 41.270 -22.411 27.153 1.00 0.00 H new ATOM 0 HE21 GLN A 55 39.840 -23.087 30.320 1.00 0.00 H new ATOM 0 HE22 GLN A 55 39.597 -21.400 30.787 1.00 0.00 H new ATOM 879 N ALA A 56 38.445 -24.535 23.827 1.00 0.00 N ATOM 880 CA ALA A 56 37.487 -25.099 22.848 1.00 0.00 C ATOM 881 C ALA A 56 37.775 -26.604 22.587 1.00 0.00 C ATOM 882 O ALA A 56 36.912 -27.339 22.083 1.00 0.00 O ATOM 883 CB ALA A 56 37.553 -24.296 21.535 1.00 0.00 C ATOM 0 H ALA A 56 39.114 -23.887 23.411 1.00 0.00 H new ATOM 0 HA ALA A 56 36.481 -25.023 23.261 1.00 0.00 H new ATOM 0 HB1 ALA A 56 36.847 -24.714 20.817 1.00 0.00 H new ATOM 0 HB2 ALA A 56 37.297 -23.255 21.732 1.00 0.00 H new ATOM 0 HB3 ALA A 56 38.562 -24.350 21.126 1.00 0.00 H new ATOM 889 N GLY A 57 39.005 -27.032 22.938 1.00 0.00 N ATOM 890 CA GLY A 57 39.429 -28.429 22.851 1.00 0.00 C ATOM 891 C GLY A 57 40.396 -28.685 21.709 1.00 0.00 C ATOM 892 O GLY A 57 40.341 -29.743 21.060 1.00 0.00 O ATOM 0 H GLY A 57 39.730 -26.408 23.291 1.00 0.00 H new ATOM 0 HA2 GLY A 57 39.900 -28.719 23.790 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.551 -29.062 22.725 1.00 0.00 H new ATOM 896 N LYS A 58 41.311 -27.726 21.472 1.00 0.00 N ATOM 897 CA LYS A 58 42.253 -27.775 20.319 1.00 0.00 C ATOM 898 C LYS A 58 43.651 -27.277 20.715 1.00 0.00 C ATOM 899 O LYS A 58 43.880 -26.844 21.846 1.00 0.00 O ATOM 900 CB LYS A 58 41.732 -26.908 19.129 1.00 0.00 C ATOM 901 CG LYS A 58 40.404 -27.368 18.496 1.00 0.00 C ATOM 902 CD LYS A 58 39.954 -26.460 17.332 1.00 0.00 C ATOM 903 CE LYS A 58 39.742 -24.995 17.756 1.00 0.00 C ATOM 904 NZ LYS A 58 39.337 -24.145 16.604 1.00 0.00 N ATOM 0 H LYS A 58 41.424 -26.902 22.062 1.00 0.00 H new ATOM 0 HA LYS A 58 42.317 -28.818 20.010 1.00 0.00 H new ATOM 0 HB2 LYS A 58 41.611 -25.882 19.477 1.00 0.00 H new ATOM 0 HB3 LYS A 58 42.497 -26.893 18.353 1.00 0.00 H new ATOM 0 HG2 LYS A 58 40.514 -28.390 18.133 1.00 0.00 H new ATOM 0 HG3 LYS A 58 39.628 -27.383 19.261 1.00 0.00 H new ATOM 0 HD2 LYS A 58 40.701 -26.498 16.539 1.00 0.00 H new ATOM 0 HD3 LYS A 58 39.026 -26.849 16.914 1.00 0.00 H new ATOM 0 HE2 LYS A 58 38.977 -24.947 18.531 1.00 0.00 H new ATOM 0 HE3 LYS A 58 40.662 -24.605 18.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 39.203 -23.165 16.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 40.078 -24.172 15.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 38.446 -24.503 16.205 1.00 0.00 H new ATOM 918 N LEU A 59 44.573 -27.356 19.745 1.00 0.00 N ATOM 919 CA LEU A 59 45.909 -26.744 19.813 1.00 0.00 C ATOM 920 C LEU A 59 45.962 -25.544 18.857 1.00 0.00 C ATOM 921 O LEU A 59 45.471 -25.628 17.728 1.00 0.00 O ATOM 922 CB LEU A 59 46.996 -27.785 19.430 1.00 0.00 C ATOM 923 CG LEU A 59 47.221 -28.927 20.457 1.00 0.00 C ATOM 924 CD1 LEU A 59 48.277 -29.933 19.956 1.00 0.00 C ATOM 925 CD2 LEU A 59 47.604 -28.355 21.829 1.00 0.00 C ATOM 0 H LEU A 59 44.408 -27.858 18.872 1.00 0.00 H new ATOM 0 HA LEU A 59 46.102 -26.405 20.831 1.00 0.00 H new ATOM 0 HB2 LEU A 59 46.726 -28.230 18.472 1.00 0.00 H new ATOM 0 HB3 LEU A 59 47.940 -27.261 19.284 1.00 0.00 H new ATOM 0 HG LEU A 59 46.282 -29.469 20.567 1.00 0.00 H new ATOM 0 HD11 LEU A 59 48.411 -30.720 20.698 1.00 0.00 H new ATOM 0 HD12 LEU A 59 47.943 -30.373 19.017 1.00 0.00 H new ATOM 0 HD13 LEU A 59 49.225 -29.418 19.799 1.00 0.00 H new ATOM 0 HD21 LEU A 59 47.757 -29.172 22.534 1.00 0.00 H new ATOM 0 HD22 LEU A 59 48.524 -27.777 21.738 1.00 0.00 H new ATOM 0 HD23 LEU A 59 46.804 -27.709 22.190 1.00 0.00 H new ATOM 937 N LEU A 60 46.550 -24.435 19.318 1.00 0.00 N ATOM 938 CA LEU A 60 46.714 -23.206 18.523 1.00 0.00 C ATOM 939 C LEU A 60 48.214 -22.905 18.393 1.00 0.00 C ATOM 940 O LEU A 60 48.846 -22.479 19.370 1.00 0.00 O ATOM 941 CB LEU A 60 45.981 -22.014 19.202 1.00 0.00 C ATOM 942 CG LEU A 60 45.739 -20.747 18.324 1.00 0.00 C ATOM 943 CD1 LEU A 60 44.738 -21.038 17.191 1.00 0.00 C ATOM 944 CD2 LEU A 60 45.272 -19.560 19.189 1.00 0.00 C ATOM 0 H LEU A 60 46.930 -24.361 20.262 1.00 0.00 H new ATOM 0 HA LEU A 60 46.277 -23.348 17.535 1.00 0.00 H new ATOM 0 HB2 LEU A 60 45.015 -22.369 19.561 1.00 0.00 H new ATOM 0 HB3 LEU A 60 46.556 -21.716 20.078 1.00 0.00 H new ATOM 0 HG LEU A 60 46.688 -20.473 17.863 1.00 0.00 H new ATOM 0 HD11 LEU A 60 44.589 -20.137 16.596 1.00 0.00 H new ATOM 0 HD12 LEU A 60 45.129 -21.832 16.555 1.00 0.00 H new ATOM 0 HD13 LEU A 60 43.786 -21.352 17.619 1.00 0.00 H new ATOM 0 HD21 LEU A 60 45.110 -18.689 18.554 1.00 0.00 H new ATOM 0 HD22 LEU A 60 44.341 -19.821 19.692 1.00 0.00 H new ATOM 0 HD23 LEU A 60 46.034 -19.330 19.933 1.00 0.00 H new ATOM 956 N LEU A 61 48.783 -23.193 17.213 1.00 0.00 N ATOM 957 CA LEU A 61 50.186 -22.870 16.901 1.00 0.00 C ATOM 958 C LEU A 61 50.204 -21.482 16.253 1.00 0.00 C ATOM 959 O LEU A 61 49.507 -21.241 15.262 1.00 0.00 O ATOM 960 CB LEU A 61 50.813 -23.969 15.980 1.00 0.00 C ATOM 961 CG LEU A 61 52.389 -24.007 15.850 1.00 0.00 C ATOM 962 CD1 LEU A 61 52.957 -22.863 14.978 1.00 0.00 C ATOM 963 CD2 LEU A 61 53.060 -24.017 17.247 1.00 0.00 C ATOM 0 H LEU A 61 48.287 -23.654 16.450 1.00 0.00 H new ATOM 0 HA LEU A 61 50.796 -22.853 17.804 1.00 0.00 H new ATOM 0 HB2 LEU A 61 50.483 -24.941 16.346 1.00 0.00 H new ATOM 0 HB3 LEU A 61 50.397 -23.846 14.980 1.00 0.00 H new ATOM 0 HG LEU A 61 52.630 -24.937 15.335 1.00 0.00 H new ATOM 0 HD11 LEU A 61 54.043 -22.947 14.930 1.00 0.00 H new ATOM 0 HD12 LEU A 61 52.543 -22.932 13.972 1.00 0.00 H new ATOM 0 HD13 LEU A 61 52.687 -21.903 15.417 1.00 0.00 H new ATOM 0 HD21 LEU A 61 54.143 -24.043 17.130 1.00 0.00 H new ATOM 0 HD22 LEU A 61 52.776 -23.118 17.794 1.00 0.00 H new ATOM 0 HD23 LEU A 61 52.733 -24.897 17.801 1.00 0.00 H new ATOM 975 N THR A 62 50.995 -20.575 16.835 1.00 0.00 N ATOM 976 CA THR A 62 51.059 -19.171 16.440 1.00 0.00 C ATOM 977 C THR A 62 52.533 -18.727 16.406 1.00 0.00 C ATOM 978 O THR A 62 53.241 -18.830 17.412 1.00 0.00 O ATOM 979 CB THR A 62 50.238 -18.267 17.430 1.00 0.00 C ATOM 980 OG1 THR A 62 50.650 -18.518 18.785 1.00 0.00 O ATOM 981 CG2 THR A 62 48.713 -18.483 17.317 1.00 0.00 C ATOM 0 H THR A 62 51.619 -20.804 17.608 1.00 0.00 H new ATOM 0 HA THR A 62 50.618 -19.060 15.449 1.00 0.00 H new ATOM 0 HB THR A 62 50.446 -17.234 17.152 1.00 0.00 H new ATOM 0 HG1 THR A 62 50.391 -17.761 19.351 1.00 0.00 H new ATOM 0 HG21 THR A 62 48.200 -17.832 18.025 1.00 0.00 H new ATOM 0 HG22 THR A 62 48.386 -18.247 16.304 1.00 0.00 H new ATOM 0 HG23 THR A 62 48.475 -19.523 17.542 1.00 0.00 H new ATOM 989 N LYS A 63 52.987 -18.278 15.226 1.00 0.00 N ATOM 990 CA LYS A 63 54.349 -17.760 15.010 1.00 0.00 C ATOM 991 C LYS A 63 54.488 -16.361 15.660 1.00 0.00 C ATOM 992 O LYS A 63 53.847 -15.405 15.162 1.00 0.00 O ATOM 993 CB LYS A 63 54.656 -17.691 13.482 1.00 0.00 C ATOM 994 CG LYS A 63 54.584 -19.043 12.738 1.00 0.00 C ATOM 995 CD LYS A 63 55.594 -20.073 13.294 1.00 0.00 C ATOM 996 CE LYS A 63 55.557 -21.416 12.549 1.00 0.00 C ATOM 997 NZ LYS A 63 56.004 -21.292 11.140 1.00 0.00 N ATOM 998 OXT LYS A 63 55.224 -16.221 16.659 1.00 0.00 O ATOM 0 H LYS A 63 52.412 -18.264 14.384 1.00 0.00 H new ATOM 0 HA LYS A 63 55.069 -18.432 15.476 1.00 0.00 H new ATOM 0 HB2 LYS A 63 53.953 -17.000 13.017 1.00 0.00 H new ATOM 0 HB3 LYS A 63 55.653 -17.272 13.346 1.00 0.00 H new ATOM 0 HG2 LYS A 63 53.575 -19.447 12.819 1.00 0.00 H new ATOM 0 HG3 LYS A 63 54.779 -18.883 11.678 1.00 0.00 H new ATOM 0 HD2 LYS A 63 56.600 -19.657 13.231 1.00 0.00 H new ATOM 0 HD3 LYS A 63 55.385 -20.244 14.350 1.00 0.00 H new ATOM 0 HE2 LYS A 63 56.193 -22.134 13.067 1.00 0.00 H new ATOM 0 HE3 LYS A 63 54.542 -21.814 12.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 56.043 -22.235 10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 55.334 -20.695 10.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 56.949 -20.859 11.112 1.00 0.00 H new