USER MOD reduce.3.24.130724 H: found=0, std=0, add=338, rem=0, adj=6 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 44 HIS : no HD1:sc= 0 X(o=0.97,f=0.97) USER MOD Set 1.2: A 47 GLN : amide:sc= 0.47 K(o=0.97,f=-0.29) USER MOD Set 1.3: A 49 TYR OH : rot 13:sc= 0.503 USER MOD Set 2.1: A 29 ASN : amide:sc= -0.777 K(o=-0.78,f=-2.2!) USER MOD Set 2.2: A 31 GLN : amide:sc= 0 K(o=-0.78,f=-2.2) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 149:sc= 0.805 (180deg=0.362) USER MOD Single : A 45 ASN : amide:sc= -1.45 K(o=-1.5,f=-0.006) USER MOD Single : A 53 LYS NZ :NH3+ -138:sc= -1.31 (180deg=-3.47!) USER MOD Single : A 54 THR OG1 : rot 166:sc= -2.01! USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -10:sc= 0.0921 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 355 N ALA A 23 49.825 -16.611 25.157 1.00 0.00 N ATOM 356 CA ALA A 23 49.191 -17.579 26.090 1.00 0.00 C ATOM 357 C ALA A 23 50.035 -17.585 27.360 1.00 0.00 C ATOM 358 O ALA A 23 49.556 -17.271 28.449 1.00 0.00 O ATOM 359 CB ALA A 23 49.090 -19.018 25.532 1.00 0.00 C ATOM 0 HA ALA A 23 48.163 -17.261 26.265 1.00 0.00 H new ATOM 0 HB1 ALA A 23 48.616 -19.663 26.272 1.00 0.00 H new ATOM 0 HB2 ALA A 23 48.493 -19.013 24.620 1.00 0.00 H new ATOM 0 HB3 ALA A 23 50.089 -19.393 25.310 1.00 0.00 H new ATOM 365 N ALA A 24 51.320 -17.917 27.174 1.00 0.00 N ATOM 366 CA ALA A 24 52.345 -17.903 28.220 1.00 0.00 C ATOM 367 C ALA A 24 53.727 -17.908 27.549 1.00 0.00 C ATOM 368 O ALA A 24 54.046 -18.844 26.799 1.00 0.00 O ATOM 369 CB ALA A 24 52.190 -19.108 29.171 1.00 0.00 C ATOM 0 H ALA A 24 51.682 -18.210 26.267 1.00 0.00 H new ATOM 0 HA ALA A 24 52.233 -17.004 28.826 1.00 0.00 H new ATOM 0 HB1 ALA A 24 52.965 -19.070 29.936 1.00 0.00 H new ATOM 0 HB2 ALA A 24 51.209 -19.073 29.646 1.00 0.00 H new ATOM 0 HB3 ALA A 24 52.286 -20.034 28.604 1.00 0.00 H new ATOM 375 N GLU A 25 54.523 -16.840 27.782 1.00 0.00 N ATOM 376 CA GLU A 25 55.914 -16.756 27.312 1.00 0.00 C ATOM 377 C GLU A 25 56.792 -17.729 28.121 1.00 0.00 C ATOM 378 O GLU A 25 57.295 -17.392 29.205 1.00 0.00 O ATOM 379 CB GLU A 25 56.454 -15.295 27.377 1.00 0.00 C ATOM 380 CG GLU A 25 55.794 -14.324 26.372 1.00 0.00 C ATOM 381 CD GLU A 25 56.431 -12.917 26.376 1.00 0.00 C ATOM 382 OE1 GLU A 25 57.509 -12.731 25.760 1.00 0.00 O ATOM 383 OE2 GLU A 25 55.878 -11.998 27.022 1.00 0.00 O ATOM 0 H GLU A 25 54.215 -16.017 28.300 1.00 0.00 H new ATOM 0 HA GLU A 25 55.949 -17.050 26.263 1.00 0.00 H new ATOM 0 HB2 GLU A 25 56.305 -14.910 28.386 1.00 0.00 H new ATOM 0 HB3 GLU A 25 57.529 -15.310 27.197 1.00 0.00 H new ATOM 0 HG2 GLU A 25 55.866 -14.745 25.369 1.00 0.00 H new ATOM 0 HG3 GLU A 25 54.733 -14.236 26.605 1.00 0.00 H new ATOM 390 N ARG A 26 56.905 -18.965 27.607 1.00 0.00 N ATOM 391 CA ARG A 26 57.657 -20.050 28.238 1.00 0.00 C ATOM 392 C ARG A 26 58.427 -20.820 27.151 1.00 0.00 C ATOM 393 O ARG A 26 57.917 -21.808 26.618 1.00 0.00 O ATOM 394 CB ARG A 26 56.668 -20.973 29.031 1.00 0.00 C ATOM 395 CG ARG A 26 57.320 -22.107 29.865 1.00 0.00 C ATOM 396 CD ARG A 26 58.061 -21.604 31.122 1.00 0.00 C ATOM 397 NE ARG A 26 59.297 -20.849 30.809 1.00 0.00 N ATOM 398 CZ ARG A 26 59.611 -19.627 31.276 1.00 0.00 C ATOM 399 NH1 ARG A 26 58.782 -18.963 32.065 1.00 0.00 N ATOM 400 NH2 ARG A 26 60.741 -19.049 30.908 1.00 0.00 N ATOM 0 H ARG A 26 56.467 -19.238 26.727 1.00 0.00 H new ATOM 0 HA ARG A 26 58.383 -19.658 28.950 1.00 0.00 H new ATOM 0 HB2 ARG A 26 56.078 -20.349 29.702 1.00 0.00 H new ATOM 0 HB3 ARG A 26 55.974 -21.423 28.321 1.00 0.00 H new ATOM 0 HG2 ARG A 26 56.547 -22.814 30.168 1.00 0.00 H new ATOM 0 HG3 ARG A 26 58.022 -22.653 29.234 1.00 0.00 H new ATOM 0 HD2 ARG A 26 57.391 -20.968 31.700 1.00 0.00 H new ATOM 0 HD3 ARG A 26 58.314 -22.457 31.752 1.00 0.00 H new ATOM 0 HE ARG A 26 59.969 -21.295 30.184 1.00 0.00 H new ATOM 0 HH11 ARG A 26 57.888 -19.377 32.329 1.00 0.00 H new ATOM 0 HH12 ARG A 26 59.037 -18.037 32.409 1.00 0.00 H new ATOM 0 HH21 ARG A 26 61.375 -19.529 30.270 1.00 0.00 H new ATOM 0 HH22 ARG A 26 60.979 -18.123 31.262 1.00 0.00 H new ATOM 414 N ARG A 27 59.629 -20.319 26.775 1.00 0.00 N ATOM 415 CA ARG A 27 60.450 -20.930 25.707 1.00 0.00 C ATOM 416 C ARG A 27 61.136 -22.207 26.227 1.00 0.00 C ATOM 417 O ARG A 27 62.261 -22.168 26.752 1.00 0.00 O ATOM 418 CB ARG A 27 61.514 -19.947 25.114 1.00 0.00 C ATOM 419 CG ARG A 27 60.959 -18.787 24.255 1.00 0.00 C ATOM 420 CD ARG A 27 60.263 -17.683 25.063 1.00 0.00 C ATOM 421 NE ARG A 27 59.719 -16.653 24.177 1.00 0.00 N ATOM 422 CZ ARG A 27 59.274 -15.447 24.553 1.00 0.00 C ATOM 423 NH1 ARG A 27 59.396 -15.030 25.804 1.00 0.00 N ATOM 424 NH2 ARG A 27 58.724 -14.657 23.663 1.00 0.00 N ATOM 0 H ARG A 27 60.050 -19.492 27.198 1.00 0.00 H new ATOM 0 HA ARG A 27 59.769 -21.183 24.894 1.00 0.00 H new ATOM 0 HB2 ARG A 27 62.086 -19.521 25.938 1.00 0.00 H new ATOM 0 HB3 ARG A 27 62.212 -20.522 24.505 1.00 0.00 H new ATOM 0 HG2 ARG A 27 61.779 -18.345 23.688 1.00 0.00 H new ATOM 0 HG3 ARG A 27 60.252 -19.192 23.531 1.00 0.00 H new ATOM 0 HD2 ARG A 27 59.461 -18.115 25.661 1.00 0.00 H new ATOM 0 HD3 ARG A 27 60.972 -17.233 25.758 1.00 0.00 H new ATOM 0 HE ARG A 27 59.675 -16.874 23.182 1.00 0.00 H new ATOM 0 HH11 ARG A 27 59.835 -15.631 26.501 1.00 0.00 H new ATOM 0 HH12 ARG A 27 59.051 -14.108 26.070 1.00 0.00 H new ATOM 0 HH21 ARG A 27 58.638 -14.963 22.694 1.00 0.00 H new ATOM 0 HH22 ARG A 27 58.382 -13.737 23.940 1.00 0.00 H new ATOM 438 N VAL A 28 60.410 -23.319 26.137 1.00 0.00 N ATOM 439 CA VAL A 28 60.908 -24.665 26.452 1.00 0.00 C ATOM 440 C VAL A 28 61.026 -25.445 25.151 1.00 0.00 C ATOM 441 O VAL A 28 60.237 -25.207 24.227 1.00 0.00 O ATOM 442 CB VAL A 28 59.949 -25.413 27.454 1.00 0.00 C ATOM 443 CG1 VAL A 28 60.003 -24.765 28.860 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.492 -25.452 26.916 1.00 0.00 C ATOM 0 H VAL A 28 59.435 -23.314 25.836 1.00 0.00 H new ATOM 0 HA VAL A 28 61.881 -24.585 26.937 1.00 0.00 H new ATOM 0 HB VAL A 28 60.298 -26.442 27.542 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.332 -25.299 29.533 1.00 0.00 H new ATOM 0 HG12 VAL A 28 61.021 -24.817 29.246 1.00 0.00 H new ATOM 0 HG13 VAL A 28 59.693 -23.722 28.792 1.00 0.00 H new ATOM 0 HG21 VAL A 28 57.855 -25.974 27.629 1.00 0.00 H new ATOM 0 HG22 VAL A 28 58.127 -24.434 26.781 1.00 0.00 H new ATOM 0 HG23 VAL A 28 58.471 -25.975 25.960 1.00 0.00 H new ATOM 454 N ASN A 29 62.000 -26.378 25.097 1.00 0.00 N ATOM 455 CA ASN A 29 62.314 -27.201 23.901 1.00 0.00 C ATOM 456 C ASN A 29 61.065 -27.910 23.318 1.00 0.00 C ATOM 457 O ASN A 29 60.079 -28.109 24.028 1.00 0.00 O ATOM 458 CB ASN A 29 63.406 -28.249 24.255 1.00 0.00 C ATOM 459 CG ASN A 29 63.018 -29.245 25.369 1.00 0.00 C ATOM 460 OD1 ASN A 29 62.226 -28.941 26.267 1.00 0.00 O ATOM 461 ND2 ASN A 29 63.591 -30.438 25.330 1.00 0.00 N ATOM 0 H ASN A 29 62.602 -26.587 25.894 1.00 0.00 H new ATOM 0 HA ASN A 29 62.683 -26.524 23.131 1.00 0.00 H new ATOM 0 HB2 ASN A 29 63.653 -28.812 23.355 1.00 0.00 H new ATOM 0 HB3 ASN A 29 64.310 -27.721 24.559 1.00 0.00 H new ATOM 0 HD21 ASN A 29 63.381 -31.128 26.051 1.00 0.00 H new ATOM 0 HD22 ASN A 29 64.242 -30.667 24.579 1.00 0.00 H new ATOM 468 N SER A 30 61.137 -28.284 22.020 1.00 0.00 N ATOM 469 CA SER A 30 60.047 -28.984 21.290 1.00 0.00 C ATOM 470 C SER A 30 59.567 -30.279 21.998 1.00 0.00 C ATOM 471 O SER A 30 58.393 -30.656 21.861 1.00 0.00 O ATOM 472 CB SER A 30 60.500 -29.291 19.838 1.00 0.00 C ATOM 473 OG SER A 30 59.439 -29.808 19.048 1.00 0.00 O ATOM 0 H SER A 30 61.959 -28.108 21.442 1.00 0.00 H new ATOM 0 HA SER A 30 59.189 -28.311 21.276 1.00 0.00 H new ATOM 0 HB2 SER A 30 60.884 -28.381 19.378 1.00 0.00 H new ATOM 0 HB3 SER A 30 61.320 -30.009 19.858 1.00 0.00 H new ATOM 0 HG SER A 30 59.764 -29.987 18.141 1.00 0.00 H new ATOM 479 N GLN A 31 60.462 -30.934 22.769 1.00 0.00 N ATOM 480 CA GLN A 31 60.104 -32.134 23.566 1.00 0.00 C ATOM 481 C GLN A 31 59.027 -31.785 24.627 1.00 0.00 C ATOM 482 O GLN A 31 58.148 -32.602 24.937 1.00 0.00 O ATOM 483 CB GLN A 31 61.359 -32.727 24.258 1.00 0.00 C ATOM 484 CG GLN A 31 62.512 -33.106 23.298 1.00 0.00 C ATOM 485 CD GLN A 31 63.690 -33.792 24.003 1.00 0.00 C ATOM 486 OE1 GLN A 31 64.612 -33.133 24.488 1.00 0.00 O ATOM 487 NE2 GLN A 31 63.666 -35.111 24.066 1.00 0.00 N ATOM 0 H GLN A 31 61.439 -30.654 22.858 1.00 0.00 H new ATOM 0 HA GLN A 31 59.695 -32.881 22.886 1.00 0.00 H new ATOM 0 HB2 GLN A 31 61.732 -32.004 24.984 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.063 -33.615 24.816 1.00 0.00 H new ATOM 0 HG2 GLN A 31 62.127 -33.768 22.522 1.00 0.00 H new ATOM 0 HG3 GLN A 31 62.871 -32.206 22.799 1.00 0.00 H new ATOM 0 HE21 GLN A 31 62.888 -35.627 23.655 1.00 0.00 H new ATOM 0 HE22 GLN A 31 64.425 -35.613 24.526 1.00 0.00 H new ATOM 496 N ALA A 32 59.121 -30.555 25.168 1.00 0.00 N ATOM 497 CA ALA A 32 58.164 -29.992 26.141 1.00 0.00 C ATOM 498 C ALA A 32 57.172 -29.032 25.440 1.00 0.00 C ATOM 499 O ALA A 32 56.739 -28.043 26.039 1.00 0.00 O ATOM 500 CB ALA A 32 58.944 -29.288 27.270 1.00 0.00 C ATOM 0 H ALA A 32 59.879 -29.912 24.937 1.00 0.00 H new ATOM 0 HA ALA A 32 57.571 -30.795 26.580 1.00 0.00 H new ATOM 0 HB1 ALA A 32 58.242 -28.870 27.992 1.00 0.00 H new ATOM 0 HB2 ALA A 32 59.592 -30.009 27.769 1.00 0.00 H new ATOM 0 HB3 ALA A 32 59.551 -28.487 26.848 1.00 0.00 H new ATOM 506 N LEU A 33 56.789 -29.369 24.179 1.00 0.00 N ATOM 507 CA LEU A 33 55.843 -28.578 23.323 1.00 0.00 C ATOM 508 C LEU A 33 54.533 -28.129 24.018 1.00 0.00 C ATOM 509 O LEU A 33 53.869 -27.192 23.546 1.00 0.00 O ATOM 510 CB LEU A 33 55.490 -29.342 22.005 1.00 0.00 C ATOM 511 CG LEU A 33 54.550 -30.601 22.105 1.00 0.00 C ATOM 512 CD1 LEU A 33 54.082 -31.068 20.705 1.00 0.00 C ATOM 513 CD2 LEU A 33 55.213 -31.768 22.875 1.00 0.00 C ATOM 0 H LEU A 33 57.131 -30.211 23.715 1.00 0.00 H new ATOM 0 HA LEU A 33 56.397 -27.666 23.102 1.00 0.00 H new ATOM 0 HB2 LEU A 33 55.024 -28.631 21.323 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.425 -29.660 21.544 1.00 0.00 H new ATOM 0 HG LEU A 33 53.674 -30.291 22.674 1.00 0.00 H new ATOM 0 HD11 LEU A 33 53.435 -31.939 20.809 1.00 0.00 H new ATOM 0 HD12 LEU A 33 53.531 -30.263 20.218 1.00 0.00 H new ATOM 0 HD13 LEU A 33 54.950 -31.331 20.100 1.00 0.00 H new ATOM 0 HD21 LEU A 33 54.526 -32.613 22.917 1.00 0.00 H new ATOM 0 HD22 LEU A 33 56.127 -32.069 22.363 1.00 0.00 H new ATOM 0 HD23 LEU A 33 55.454 -31.445 23.888 1.00 0.00 H new ATOM 525 N LEU A 34 54.139 -28.808 25.102 1.00 0.00 N ATOM 526 CA LEU A 34 53.003 -28.389 25.954 1.00 0.00 C ATOM 527 C LEU A 34 53.426 -28.390 27.424 1.00 0.00 C ATOM 528 O LEU A 34 53.106 -27.459 28.172 1.00 0.00 O ATOM 529 CB LEU A 34 51.774 -29.315 25.726 1.00 0.00 C ATOM 530 CG LEU A 34 51.062 -29.182 24.336 1.00 0.00 C ATOM 531 CD1 LEU A 34 49.938 -30.231 24.164 1.00 0.00 C ATOM 532 CD2 LEU A 34 50.524 -27.743 24.128 1.00 0.00 C ATOM 0 H LEU A 34 54.594 -29.664 25.419 1.00 0.00 H new ATOM 0 HA LEU A 34 52.710 -27.376 25.679 1.00 0.00 H new ATOM 0 HB2 LEU A 34 52.095 -30.349 25.850 1.00 0.00 H new ATOM 0 HB3 LEU A 34 51.042 -29.113 26.508 1.00 0.00 H new ATOM 0 HG LEU A 34 51.806 -29.381 23.565 1.00 0.00 H new ATOM 0 HD11 LEU A 34 49.469 -30.105 23.188 1.00 0.00 H new ATOM 0 HD12 LEU A 34 50.361 -31.233 24.237 1.00 0.00 H new ATOM 0 HD13 LEU A 34 49.191 -30.095 24.946 1.00 0.00 H new ATOM 0 HD21 LEU A 34 50.034 -27.675 23.157 1.00 0.00 H new ATOM 0 HD22 LEU A 34 49.807 -27.506 24.914 1.00 0.00 H new ATOM 0 HD23 LEU A 34 51.352 -27.036 24.167 1.00 0.00 H new ATOM 544 N GLY A 35 54.151 -29.447 27.811 1.00 0.00 N ATOM 545 CA GLY A 35 54.563 -29.662 29.194 1.00 0.00 C ATOM 546 C GLY A 35 53.383 -29.966 30.119 1.00 0.00 C ATOM 547 O GLY A 35 52.326 -30.388 29.641 1.00 0.00 O ATOM 0 H GLY A 35 54.466 -30.175 27.170 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.273 -30.488 29.233 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.085 -28.776 29.556 1.00 0.00 H new ATOM 551 N PRO A 36 53.525 -29.757 31.458 1.00 0.00 N ATOM 552 CA PRO A 36 52.373 -29.800 32.400 1.00 0.00 C ATOM 553 C PRO A 36 51.525 -28.500 32.350 1.00 0.00 C ATOM 554 O PRO A 36 50.391 -28.471 32.848 1.00 0.00 O ATOM 555 CB PRO A 36 53.066 -29.969 33.773 1.00 0.00 C ATOM 556 CG PRO A 36 54.373 -29.245 33.608 1.00 0.00 C ATOM 557 CD PRO A 36 54.811 -29.493 32.172 1.00 0.00 C ATOM 0 HA PRO A 36 51.664 -30.594 32.167 1.00 0.00 H new ATOM 0 HB2 PRO A 36 52.469 -29.539 34.578 1.00 0.00 H new ATOM 0 HB3 PRO A 36 53.219 -31.020 34.017 1.00 0.00 H new ATOM 0 HG2 PRO A 36 54.256 -28.179 33.802 1.00 0.00 H new ATOM 0 HG3 PRO A 36 55.117 -29.617 34.313 1.00 0.00 H new ATOM 0 HD2 PRO A 36 55.332 -28.630 31.756 1.00 0.00 H new ATOM 0 HD3 PRO A 36 55.492 -30.341 32.100 1.00 0.00 H new ATOM 565 N ASP A 37 52.088 -27.445 31.733 1.00 0.00 N ATOM 566 CA ASP A 37 51.482 -26.104 31.683 1.00 0.00 C ATOM 567 C ASP A 37 50.376 -26.034 30.607 1.00 0.00 C ATOM 568 O ASP A 37 49.380 -25.327 30.785 1.00 0.00 O ATOM 569 CB ASP A 37 52.593 -25.057 31.419 1.00 0.00 C ATOM 570 CG ASP A 37 52.091 -23.610 31.479 1.00 0.00 C ATOM 571 OD1 ASP A 37 51.617 -23.178 32.560 1.00 0.00 O ATOM 572 OD2 ASP A 37 52.177 -22.886 30.471 1.00 0.00 O ATOM 0 H ASP A 37 52.985 -27.501 31.251 1.00 0.00 H new ATOM 0 HA ASP A 37 51.008 -25.886 32.640 1.00 0.00 H new ATOM 0 HB2 ASP A 37 53.388 -25.189 32.153 1.00 0.00 H new ATOM 0 HB3 ASP A 37 53.031 -25.242 30.438 1.00 0.00 H new ATOM 577 N GLY A 38 50.583 -26.755 29.482 1.00 0.00 N ATOM 578 CA GLY A 38 49.551 -26.933 28.442 1.00 0.00 C ATOM 579 C GLY A 38 49.498 -25.815 27.396 1.00 0.00 C ATOM 580 O GLY A 38 48.798 -25.957 26.388 1.00 0.00 O ATOM 0 H GLY A 38 51.464 -27.225 29.273 1.00 0.00 H new ATOM 0 HA2 GLY A 38 49.727 -27.881 27.933 1.00 0.00 H new ATOM 0 HA3 GLY A 38 48.577 -27.007 28.925 1.00 0.00 H new ATOM 584 N LYS A 39 50.204 -24.693 27.632 1.00 0.00 N ATOM 585 CA LYS A 39 50.230 -23.537 26.700 1.00 0.00 C ATOM 586 C LYS A 39 51.588 -22.805 26.796 1.00 0.00 C ATOM 587 O LYS A 39 51.746 -21.841 27.538 1.00 0.00 O ATOM 588 CB LYS A 39 48.983 -22.586 26.921 1.00 0.00 C ATOM 589 CG LYS A 39 48.369 -22.545 28.352 1.00 0.00 C ATOM 590 CD LYS A 39 49.238 -21.821 29.398 1.00 0.00 C ATOM 591 CE LYS A 39 48.664 -21.909 30.820 1.00 0.00 C ATOM 592 NZ LYS A 39 49.551 -21.239 31.801 1.00 0.00 N ATOM 0 H LYS A 39 50.772 -24.557 28.468 1.00 0.00 H new ATOM 0 HA LYS A 39 50.139 -23.902 25.677 1.00 0.00 H new ATOM 0 HB2 LYS A 39 49.278 -21.572 26.650 1.00 0.00 H new ATOM 0 HB3 LYS A 39 48.200 -22.887 26.225 1.00 0.00 H new ATOM 0 HG2 LYS A 39 47.397 -22.054 28.303 1.00 0.00 H new ATOM 0 HG3 LYS A 39 48.194 -23.567 28.688 1.00 0.00 H new ATOM 0 HD2 LYS A 39 50.240 -22.250 29.389 1.00 0.00 H new ATOM 0 HD3 LYS A 39 49.338 -20.773 29.117 1.00 0.00 H new ATOM 0 HE2 LYS A 39 47.677 -21.448 30.845 1.00 0.00 H new ATOM 0 HE3 LYS A 39 48.535 -22.955 31.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 48.978 -20.848 32.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 50.228 -21.929 32.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 50.070 -20.470 31.331 1.00 0.00 H new ATOM 606 N VAL A 40 52.568 -23.294 26.026 1.00 0.00 N ATOM 607 CA VAL A 40 53.976 -22.845 26.116 1.00 0.00 C ATOM 608 C VAL A 40 54.528 -22.529 24.721 1.00 0.00 C ATOM 609 O VAL A 40 53.886 -22.818 23.707 1.00 0.00 O ATOM 610 CB VAL A 40 54.894 -23.932 26.801 1.00 0.00 C ATOM 611 CG1 VAL A 40 54.446 -24.260 28.244 1.00 0.00 C ATOM 612 CG2 VAL A 40 54.979 -25.216 25.937 1.00 0.00 C ATOM 0 H VAL A 40 52.414 -24.014 25.320 1.00 0.00 H new ATOM 0 HA VAL A 40 53.987 -21.945 26.731 1.00 0.00 H new ATOM 0 HB VAL A 40 55.893 -23.501 26.872 1.00 0.00 H new ATOM 0 HG11 VAL A 40 55.110 -25.012 28.669 1.00 0.00 H new ATOM 0 HG12 VAL A 40 54.486 -23.356 28.852 1.00 0.00 H new ATOM 0 HG13 VAL A 40 53.426 -24.643 28.230 1.00 0.00 H new ATOM 0 HG21 VAL A 40 55.618 -25.947 26.433 1.00 0.00 H new ATOM 0 HG22 VAL A 40 53.981 -25.634 25.808 1.00 0.00 H new ATOM 0 HG23 VAL A 40 55.399 -24.971 24.961 1.00 0.00 H new ATOM 622 N ILE A 41 55.732 -21.942 24.683 1.00 0.00 N ATOM 623 CA ILE A 41 56.433 -21.633 23.437 1.00 0.00 C ATOM 624 C ILE A 41 57.504 -22.714 23.156 1.00 0.00 C ATOM 625 O ILE A 41 58.383 -22.969 23.987 1.00 0.00 O ATOM 626 CB ILE A 41 57.091 -20.213 23.482 1.00 0.00 C ATOM 627 CG1 ILE A 41 56.034 -19.115 23.832 1.00 0.00 C ATOM 628 CG2 ILE A 41 57.782 -19.905 22.139 1.00 0.00 C ATOM 629 CD1 ILE A 41 56.554 -17.693 23.797 1.00 0.00 C ATOM 0 H ILE A 41 56.246 -21.669 25.521 1.00 0.00 H new ATOM 0 HA ILE A 41 55.701 -21.630 22.629 1.00 0.00 H new ATOM 0 HB ILE A 41 57.845 -20.207 24.269 1.00 0.00 H new ATOM 0 HG12 ILE A 41 55.201 -19.199 23.134 1.00 0.00 H new ATOM 0 HG13 ILE A 41 55.638 -19.317 24.827 1.00 0.00 H new ATOM 0 HG21 ILE A 41 58.236 -18.915 22.182 1.00 0.00 H new ATOM 0 HG22 ILE A 41 58.554 -20.650 21.948 1.00 0.00 H new ATOM 0 HG23 ILE A 41 57.045 -19.932 21.336 1.00 0.00 H new ATOM 0 HD11 ILE A 41 55.749 -17.005 24.053 1.00 0.00 H new ATOM 0 HD12 ILE A 41 57.366 -17.585 24.516 1.00 0.00 H new ATOM 0 HD13 ILE A 41 56.922 -17.465 22.797 1.00 0.00 H new ATOM 641 N ILE A 42 57.392 -23.340 21.977 1.00 0.00 N ATOM 642 CA ILE A 42 58.321 -24.357 21.476 1.00 0.00 C ATOM 643 C ILE A 42 59.624 -23.675 21.048 1.00 0.00 C ATOM 644 O ILE A 42 59.614 -22.788 20.197 1.00 0.00 O ATOM 645 CB ILE A 42 57.715 -25.150 20.236 1.00 0.00 C ATOM 646 CG1 ILE A 42 56.537 -26.097 20.637 1.00 0.00 C ATOM 647 CG2 ILE A 42 58.796 -25.958 19.469 1.00 0.00 C ATOM 648 CD1 ILE A 42 55.361 -25.445 21.327 1.00 0.00 C ATOM 0 H ILE A 42 56.630 -23.146 21.328 1.00 0.00 H new ATOM 0 HA ILE A 42 58.504 -25.073 22.277 1.00 0.00 H new ATOM 0 HB ILE A 42 57.318 -24.381 19.573 1.00 0.00 H new ATOM 0 HG12 ILE A 42 56.174 -26.592 19.736 1.00 0.00 H new ATOM 0 HG13 ILE A 42 56.930 -26.874 21.292 1.00 0.00 H new ATOM 0 HG21 ILE A 42 58.334 -26.481 18.632 1.00 0.00 H new ATOM 0 HG22 ILE A 42 59.561 -25.278 19.094 1.00 0.00 H new ATOM 0 HG23 ILE A 42 59.254 -26.683 20.142 1.00 0.00 H new ATOM 0 HD11 ILE A 42 54.609 -26.200 21.556 1.00 0.00 H new ATOM 0 HD12 ILE A 42 55.696 -24.975 22.252 1.00 0.00 H new ATOM 0 HD13 ILE A 42 54.928 -24.689 20.672 1.00 0.00 H new ATOM 660 N ASP A 43 60.724 -24.115 21.646 1.00 0.00 N ATOM 661 CA ASP A 43 62.076 -23.760 21.222 1.00 0.00 C ATOM 662 C ASP A 43 62.559 -24.857 20.262 1.00 0.00 C ATOM 663 O ASP A 43 62.551 -26.055 20.606 1.00 0.00 O ATOM 664 CB ASP A 43 63.019 -23.627 22.448 1.00 0.00 C ATOM 665 CG ASP A 43 64.492 -23.389 22.062 1.00 0.00 C ATOM 666 OD1 ASP A 43 64.793 -22.329 21.470 1.00 0.00 O ATOM 667 OD2 ASP A 43 65.354 -24.264 22.341 1.00 0.00 O ATOM 0 H ASP A 43 60.703 -24.739 22.453 1.00 0.00 H new ATOM 0 HA ASP A 43 62.080 -22.794 20.718 1.00 0.00 H new ATOM 0 HB2 ASP A 43 62.677 -22.802 23.073 1.00 0.00 H new ATOM 0 HB3 ASP A 43 62.950 -24.533 23.050 1.00 0.00 H new ATOM 672 N HIS A 44 62.935 -24.444 19.044 1.00 0.00 N ATOM 673 CA HIS A 44 63.371 -25.346 17.981 1.00 0.00 C ATOM 674 C HIS A 44 64.407 -24.645 17.091 1.00 0.00 C ATOM 675 O HIS A 44 64.040 -23.866 16.201 1.00 0.00 O ATOM 676 CB HIS A 44 62.153 -25.840 17.150 1.00 0.00 C ATOM 677 CG HIS A 44 62.511 -26.746 15.994 1.00 0.00 C ATOM 678 ND1 HIS A 44 62.891 -28.063 16.159 1.00 0.00 N ATOM 679 CD2 HIS A 44 62.587 -26.508 14.654 1.00 0.00 C ATOM 680 CE1 HIS A 44 63.176 -28.586 14.982 1.00 0.00 C ATOM 681 NE2 HIS A 44 63.005 -27.663 14.063 1.00 0.00 N ATOM 0 H HIS A 44 62.943 -23.461 18.771 1.00 0.00 H new ATOM 0 HA HIS A 44 63.842 -26.221 18.428 1.00 0.00 H new ATOM 0 HB2 HIS A 44 61.468 -26.370 17.812 1.00 0.00 H new ATOM 0 HB3 HIS A 44 61.617 -24.973 16.764 1.00 0.00 H new ATOM 0 HD2 HIS A 44 62.359 -25.578 14.154 1.00 0.00 H new ATOM 0 HE1 HIS A 44 63.496 -29.602 14.804 1.00 0.00 H new ATOM 0 HE2 HIS A 44 63.161 -27.791 13.063 1.00 0.00 H new ATOM 690 N ASN A 45 65.703 -24.905 17.384 1.00 0.00 N ATOM 691 CA ASN A 45 66.857 -24.473 16.556 1.00 0.00 C ATOM 692 C ASN A 45 66.916 -22.932 16.394 1.00 0.00 C ATOM 693 O ASN A 45 67.411 -22.423 15.386 1.00 0.00 O ATOM 694 CB ASN A 45 66.840 -25.194 15.160 1.00 0.00 C ATOM 695 CG ASN A 45 67.106 -26.709 15.197 1.00 0.00 C ATOM 696 OD1 ASN A 45 67.722 -27.254 14.285 1.00 0.00 O ATOM 697 ND2 ASN A 45 66.615 -27.423 16.207 1.00 0.00 N ATOM 0 H ASN A 45 65.982 -25.428 18.214 1.00 0.00 H new ATOM 0 HA ASN A 45 67.765 -24.768 17.083 1.00 0.00 H new ATOM 0 HB2 ASN A 45 65.869 -25.024 14.694 1.00 0.00 H new ATOM 0 HB3 ASN A 45 67.588 -24.726 14.519 1.00 0.00 H new ATOM 0 HD21 ASN A 45 66.749 -28.434 16.229 1.00 0.00 H new ATOM 0 HD22 ASN A 45 66.105 -26.959 16.959 1.00 0.00 H new ATOM 704 N GLY A 46 66.437 -22.202 17.421 1.00 0.00 N ATOM 705 CA GLY A 46 66.435 -20.736 17.423 1.00 0.00 C ATOM 706 C GLY A 46 65.078 -20.133 17.089 1.00 0.00 C ATOM 707 O GLY A 46 64.827 -18.974 17.421 1.00 0.00 O ATOM 0 H GLY A 46 66.043 -22.615 18.266 1.00 0.00 H new ATOM 0 HA2 GLY A 46 66.751 -20.381 18.404 1.00 0.00 H new ATOM 0 HA3 GLY A 46 67.171 -20.378 16.703 1.00 0.00 H new ATOM 711 N GLN A 47 64.215 -20.906 16.407 1.00 0.00 N ATOM 712 CA GLN A 47 62.824 -20.492 16.101 1.00 0.00 C ATOM 713 C GLN A 47 61.926 -20.798 17.302 1.00 0.00 C ATOM 714 O GLN A 47 62.222 -21.713 18.083 1.00 0.00 O ATOM 715 CB GLN A 47 62.292 -21.232 14.845 1.00 0.00 C ATOM 716 CG GLN A 47 63.085 -20.962 13.554 1.00 0.00 C ATOM 717 CD GLN A 47 62.524 -21.696 12.326 1.00 0.00 C ATOM 718 OE1 GLN A 47 61.317 -21.916 12.204 1.00 0.00 O ATOM 719 NE2 GLN A 47 63.394 -22.079 11.410 1.00 0.00 N ATOM 0 H GLN A 47 64.455 -21.831 16.052 1.00 0.00 H new ATOM 0 HA GLN A 47 62.815 -19.421 15.898 1.00 0.00 H new ATOM 0 HB2 GLN A 47 62.299 -22.304 15.042 1.00 0.00 H new ATOM 0 HB3 GLN A 47 61.253 -20.944 14.684 1.00 0.00 H new ATOM 0 HG2 GLN A 47 63.089 -19.890 13.357 1.00 0.00 H new ATOM 0 HG3 GLN A 47 64.122 -21.262 13.704 1.00 0.00 H new ATOM 0 HE21 GLN A 47 64.387 -21.884 11.537 1.00 0.00 H new ATOM 0 HE22 GLN A 47 63.073 -22.570 10.576 1.00 0.00 H new ATOM 728 N GLU A 48 60.830 -20.041 17.442 1.00 0.00 N ATOM 729 CA GLU A 48 59.890 -20.216 18.556 1.00 0.00 C ATOM 730 C GLU A 48 58.441 -20.217 18.046 1.00 0.00 C ATOM 731 O GLU A 48 58.076 -19.410 17.186 1.00 0.00 O ATOM 732 CB GLU A 48 60.120 -19.131 19.636 1.00 0.00 C ATOM 733 CG GLU A 48 59.762 -17.690 19.232 1.00 0.00 C ATOM 734 CD GLU A 48 59.892 -16.707 20.407 1.00 0.00 C ATOM 735 OE1 GLU A 48 58.961 -16.625 21.235 1.00 0.00 O ATOM 736 OE2 GLU A 48 60.931 -16.016 20.520 1.00 0.00 O ATOM 0 H GLU A 48 60.572 -19.297 16.793 1.00 0.00 H new ATOM 0 HA GLU A 48 60.073 -21.185 19.021 1.00 0.00 H new ATOM 0 HB2 GLU A 48 59.537 -19.395 20.518 1.00 0.00 H new ATOM 0 HB3 GLU A 48 61.170 -19.155 19.929 1.00 0.00 H new ATOM 0 HG2 GLU A 48 60.414 -17.370 18.419 1.00 0.00 H new ATOM 0 HG3 GLU A 48 58.741 -17.665 18.851 1.00 0.00 H new ATOM 743 N TYR A 49 57.618 -21.171 18.546 1.00 0.00 N ATOM 744 CA TYR A 49 56.191 -21.290 18.150 1.00 0.00 C ATOM 745 C TYR A 49 55.329 -21.520 19.403 1.00 0.00 C ATOM 746 O TYR A 49 55.445 -22.564 20.026 1.00 0.00 O ATOM 747 CB TYR A 49 55.939 -22.464 17.132 1.00 0.00 C ATOM 748 CG TYR A 49 57.141 -22.893 16.263 1.00 0.00 C ATOM 749 CD1 TYR A 49 57.571 -22.137 15.173 1.00 0.00 C ATOM 750 CD2 TYR A 49 57.843 -24.065 16.553 1.00 0.00 C ATOM 751 CE1 TYR A 49 58.640 -22.548 14.398 1.00 0.00 C ATOM 752 CE2 TYR A 49 58.905 -24.476 15.787 1.00 0.00 C ATOM 753 CZ TYR A 49 59.308 -23.720 14.719 1.00 0.00 C ATOM 754 OH TYR A 49 60.373 -24.143 13.957 1.00 0.00 O ATOM 0 H TYR A 49 57.918 -21.871 19.225 1.00 0.00 H new ATOM 0 HA TYR A 49 55.917 -20.359 17.654 1.00 0.00 H new ATOM 0 HB2 TYR A 49 55.596 -23.334 17.692 1.00 0.00 H new ATOM 0 HB3 TYR A 49 55.126 -22.171 16.468 1.00 0.00 H new ATOM 0 HD1 TYR A 49 57.061 -21.216 14.930 1.00 0.00 H new ATOM 0 HD2 TYR A 49 57.543 -24.663 17.401 1.00 0.00 H new ATOM 0 HE1 TYR A 49 58.953 -21.960 13.548 1.00 0.00 H new ATOM 0 HE2 TYR A 49 59.422 -25.394 16.026 1.00 0.00 H new ATOM 0 HH TYR A 49 60.660 -23.417 13.364 1.00 0.00 H new ATOM 764 N LEU A 50 54.466 -20.562 19.752 1.00 0.00 N ATOM 765 CA LEU A 50 53.513 -20.699 20.869 1.00 0.00 C ATOM 766 C LEU A 50 52.423 -21.728 20.485 1.00 0.00 C ATOM 767 O LEU A 50 51.615 -21.484 19.587 1.00 0.00 O ATOM 768 CB LEU A 50 52.917 -19.282 21.198 1.00 0.00 C ATOM 769 CG LEU A 50 51.894 -19.123 22.397 1.00 0.00 C ATOM 770 CD1 LEU A 50 50.466 -19.615 22.052 1.00 0.00 C ATOM 771 CD2 LEU A 50 52.411 -19.798 23.694 1.00 0.00 C ATOM 0 H LEU A 50 54.404 -19.665 19.270 1.00 0.00 H new ATOM 0 HA LEU A 50 54.006 -21.070 21.767 1.00 0.00 H new ATOM 0 HB2 LEU A 50 53.755 -18.613 21.393 1.00 0.00 H new ATOM 0 HB3 LEU A 50 52.423 -18.919 20.297 1.00 0.00 H new ATOM 0 HG LEU A 50 51.822 -18.050 22.577 1.00 0.00 H new ATOM 0 HD11 LEU A 50 49.815 -19.478 22.916 1.00 0.00 H new ATOM 0 HD12 LEU A 50 50.077 -19.042 21.210 1.00 0.00 H new ATOM 0 HD13 LEU A 50 50.499 -20.672 21.787 1.00 0.00 H new ATOM 0 HD21 LEU A 50 51.679 -19.665 24.490 1.00 0.00 H new ATOM 0 HD22 LEU A 50 52.563 -20.862 23.515 1.00 0.00 H new ATOM 0 HD23 LEU A 50 53.356 -19.342 23.990 1.00 0.00 H new ATOM 783 N LEU A 51 52.441 -22.895 21.143 1.00 0.00 N ATOM 784 CA LEU A 51 51.388 -23.919 21.019 1.00 0.00 C ATOM 785 C LEU A 51 50.565 -23.899 22.305 1.00 0.00 C ATOM 786 O LEU A 51 51.106 -24.118 23.409 1.00 0.00 O ATOM 787 CB LEU A 51 51.991 -25.327 20.777 1.00 0.00 C ATOM 788 CG LEU A 51 50.982 -26.500 20.533 1.00 0.00 C ATOM 789 CD1 LEU A 51 50.130 -26.272 19.267 1.00 0.00 C ATOM 790 CD2 LEU A 51 51.720 -27.866 20.468 1.00 0.00 C ATOM 0 H LEU A 51 53.191 -23.159 21.782 1.00 0.00 H new ATOM 0 HA LEU A 51 50.758 -23.695 20.158 1.00 0.00 H new ATOM 0 HB2 LEU A 51 52.656 -25.267 19.915 1.00 0.00 H new ATOM 0 HB3 LEU A 51 52.608 -25.584 21.638 1.00 0.00 H new ATOM 0 HG LEU A 51 50.300 -26.521 21.383 1.00 0.00 H new ATOM 0 HD11 LEU A 51 49.444 -27.108 19.135 1.00 0.00 H new ATOM 0 HD12 LEU A 51 49.560 -25.349 19.373 1.00 0.00 H new ATOM 0 HD13 LEU A 51 50.783 -26.197 18.397 1.00 0.00 H new ATOM 0 HD21 LEU A 51 50.996 -28.663 20.298 1.00 0.00 H new ATOM 0 HD22 LEU A 51 52.442 -27.851 19.651 1.00 0.00 H new ATOM 0 HD23 LEU A 51 52.240 -28.044 21.409 1.00 0.00 H new ATOM 802 N ARG A 52 49.268 -23.597 22.171 1.00 0.00 N ATOM 803 CA ARG A 52 48.349 -23.489 23.314 1.00 0.00 C ATOM 804 C ARG A 52 47.153 -24.436 23.142 1.00 0.00 C ATOM 805 O ARG A 52 46.616 -24.576 22.034 1.00 0.00 O ATOM 806 CB ARG A 52 47.878 -22.016 23.489 1.00 0.00 C ATOM 807 CG ARG A 52 47.077 -21.435 22.303 1.00 0.00 C ATOM 808 CD ARG A 52 46.675 -19.965 22.504 1.00 0.00 C ATOM 809 NE ARG A 52 45.764 -19.767 23.655 1.00 0.00 N ATOM 810 CZ ARG A 52 45.507 -18.587 24.258 1.00 0.00 C ATOM 811 NH1 ARG A 52 46.101 -17.461 23.867 1.00 0.00 N ATOM 812 NH2 ARG A 52 44.645 -18.538 25.258 1.00 0.00 N ATOM 0 H ARG A 52 48.825 -23.421 21.269 1.00 0.00 H new ATOM 0 HA ARG A 52 48.880 -23.787 24.218 1.00 0.00 H new ATOM 0 HB2 ARG A 52 47.264 -21.952 24.387 1.00 0.00 H new ATOM 0 HB3 ARG A 52 48.754 -21.389 23.657 1.00 0.00 H new ATOM 0 HG2 ARG A 52 47.673 -21.521 21.394 1.00 0.00 H new ATOM 0 HG3 ARG A 52 46.178 -22.033 22.153 1.00 0.00 H new ATOM 0 HD2 ARG A 52 47.573 -19.365 22.651 1.00 0.00 H new ATOM 0 HD3 ARG A 52 46.192 -19.599 21.598 1.00 0.00 H new ATOM 0 HE ARG A 52 45.291 -20.592 24.023 1.00 0.00 H new ATOM 0 HH11 ARG A 52 46.768 -17.477 23.095 1.00 0.00 H new ATOM 0 HH12 ARG A 52 45.889 -16.582 24.339 1.00 0.00 H new ATOM 0 HH21 ARG A 52 44.178 -19.389 25.571 1.00 0.00 H new ATOM 0 HH22 ARG A 52 44.447 -17.649 25.717 1.00 0.00 H new ATOM 826 N LYS A 53 46.778 -25.117 24.233 1.00 0.00 N ATOM 827 CA LYS A 53 45.538 -25.900 24.295 1.00 0.00 C ATOM 828 C LYS A 53 44.355 -24.936 24.518 1.00 0.00 C ATOM 829 O LYS A 53 44.126 -24.485 25.644 1.00 0.00 O ATOM 830 CB LYS A 53 45.611 -26.957 25.434 1.00 0.00 C ATOM 831 CG LYS A 53 46.669 -28.061 25.220 1.00 0.00 C ATOM 832 CD LYS A 53 46.719 -29.120 26.356 1.00 0.00 C ATOM 833 CE LYS A 53 45.515 -30.094 26.360 1.00 0.00 C ATOM 834 NZ LYS A 53 44.215 -29.433 26.686 1.00 0.00 N ATOM 0 H LYS A 53 47.324 -25.140 25.094 1.00 0.00 H new ATOM 0 HA LYS A 53 45.398 -26.438 23.357 1.00 0.00 H new ATOM 0 HB2 LYS A 53 45.823 -26.446 26.373 1.00 0.00 H new ATOM 0 HB3 LYS A 53 44.633 -27.425 25.540 1.00 0.00 H new ATOM 0 HG2 LYS A 53 46.466 -28.566 24.276 1.00 0.00 H new ATOM 0 HG3 LYS A 53 47.650 -27.596 25.128 1.00 0.00 H new ATOM 0 HD2 LYS A 53 47.639 -29.696 26.262 1.00 0.00 H new ATOM 0 HD3 LYS A 53 46.761 -28.606 27.316 1.00 0.00 H new ATOM 0 HE2 LYS A 53 45.437 -30.567 25.381 1.00 0.00 H new ATOM 0 HE3 LYS A 53 45.702 -30.887 27.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 43.670 -30.039 27.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 44.397 -28.516 27.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 43.673 -29.284 25.811 1.00 0.00 H new ATOM 848 N THR A 54 43.642 -24.599 23.432 1.00 0.00 N ATOM 849 CA THR A 54 42.503 -23.666 23.485 1.00 0.00 C ATOM 850 C THR A 54 41.329 -24.321 24.230 1.00 0.00 C ATOM 851 O THR A 54 41.100 -25.542 24.080 1.00 0.00 O ATOM 852 CB THR A 54 42.031 -23.227 22.053 1.00 0.00 C ATOM 853 OG1 THR A 54 41.394 -24.311 21.378 1.00 0.00 O ATOM 854 CG2 THR A 54 43.204 -22.726 21.204 1.00 0.00 C ATOM 0 H THR A 54 43.836 -24.962 22.499 1.00 0.00 H new ATOM 0 HA THR A 54 42.836 -22.774 24.015 1.00 0.00 H new ATOM 0 HB THR A 54 41.321 -22.411 22.185 1.00 0.00 H new ATOM 0 HG1 THR A 54 40.913 -23.971 20.595 1.00 0.00 H new ATOM 0 HG21 THR A 54 42.841 -22.431 20.220 1.00 0.00 H new ATOM 0 HG22 THR A 54 43.666 -21.868 21.692 1.00 0.00 H new ATOM 0 HG23 THR A 54 43.940 -23.522 21.095 1.00 0.00 H new ATOM 862 N GLN A 55 40.597 -23.501 25.021 1.00 0.00 N ATOM 863 CA GLN A 55 39.399 -23.932 25.784 1.00 0.00 C ATOM 864 C GLN A 55 38.212 -24.251 24.847 1.00 0.00 C ATOM 865 O GLN A 55 37.193 -24.795 25.297 1.00 0.00 O ATOM 866 CB GLN A 55 38.988 -22.845 26.817 1.00 0.00 C ATOM 867 CG GLN A 55 40.051 -22.539 27.901 1.00 0.00 C ATOM 868 CD GLN A 55 39.529 -21.648 29.039 1.00 0.00 C ATOM 869 OE1 GLN A 55 38.343 -21.678 29.384 1.00 0.00 O ATOM 870 NE2 GLN A 55 40.407 -20.858 29.633 1.00 0.00 N ATOM 0 H GLN A 55 40.822 -22.514 25.149 1.00 0.00 H new ATOM 0 HA GLN A 55 39.662 -24.846 26.316 1.00 0.00 H new ATOM 0 HB2 GLN A 55 38.761 -21.923 26.281 1.00 0.00 H new ATOM 0 HB3 GLN A 55 38.069 -23.162 27.310 1.00 0.00 H new ATOM 0 HG2 GLN A 55 40.410 -23.478 28.322 1.00 0.00 H new ATOM 0 HG3 GLN A 55 40.906 -22.052 27.432 1.00 0.00 H new ATOM 0 HE21 GLN A 55 41.380 -20.855 29.326 1.00 0.00 H new ATOM 0 HE22 GLN A 55 40.112 -20.252 30.398 1.00 0.00 H new ATOM 879 N ALA A 56 38.357 -23.895 23.554 1.00 0.00 N ATOM 880 CA ALA A 56 37.466 -24.357 22.478 1.00 0.00 C ATOM 881 C ALA A 56 37.539 -25.899 22.321 1.00 0.00 C ATOM 882 O ALA A 56 36.583 -26.532 21.858 1.00 0.00 O ATOM 883 CB ALA A 56 37.841 -23.660 21.163 1.00 0.00 C ATOM 0 H ALA A 56 39.100 -23.276 23.229 1.00 0.00 H new ATOM 0 HA ALA A 56 36.439 -24.099 22.737 1.00 0.00 H new ATOM 0 HB1 ALA A 56 37.180 -24.004 20.368 1.00 0.00 H new ATOM 0 HB2 ALA A 56 37.737 -22.581 21.280 1.00 0.00 H new ATOM 0 HB3 ALA A 56 38.873 -23.899 20.906 1.00 0.00 H new ATOM 889 N GLY A 57 38.678 -26.479 22.754 1.00 0.00 N ATOM 890 CA GLY A 57 38.950 -27.914 22.688 1.00 0.00 C ATOM 891 C GLY A 57 39.930 -28.249 21.582 1.00 0.00 C ATOM 892 O GLY A 57 39.808 -29.288 20.929 1.00 0.00 O ATOM 0 H GLY A 57 39.443 -25.945 23.166 1.00 0.00 H new ATOM 0 HA2 GLY A 57 39.350 -28.253 23.644 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.017 -28.454 22.524 1.00 0.00 H new ATOM 896 N LYS A 58 40.931 -27.369 21.384 1.00 0.00 N ATOM 897 CA LYS A 58 41.879 -27.469 20.240 1.00 0.00 C ATOM 898 C LYS A 58 43.332 -27.251 20.691 1.00 0.00 C ATOM 899 O LYS A 58 43.608 -26.982 21.860 1.00 0.00 O ATOM 900 CB LYS A 58 41.538 -26.405 19.149 1.00 0.00 C ATOM 901 CG LYS A 58 40.156 -26.530 18.460 1.00 0.00 C ATOM 902 CD LYS A 58 39.796 -25.277 17.609 1.00 0.00 C ATOM 903 CE LYS A 58 40.951 -24.818 16.694 1.00 0.00 C ATOM 904 NZ LYS A 58 40.576 -23.651 15.847 1.00 0.00 N ATOM 0 H LYS A 58 41.110 -26.576 22.000 1.00 0.00 H new ATOM 0 HA LYS A 58 41.777 -28.474 19.830 1.00 0.00 H new ATOM 0 HB2 LYS A 58 41.602 -25.417 19.606 1.00 0.00 H new ATOM 0 HB3 LYS A 58 42.307 -26.450 18.378 1.00 0.00 H new ATOM 0 HG2 LYS A 58 40.152 -27.413 17.820 1.00 0.00 H new ATOM 0 HG3 LYS A 58 39.388 -26.682 19.219 1.00 0.00 H new ATOM 0 HD2 LYS A 58 38.921 -25.499 16.997 1.00 0.00 H new ATOM 0 HD3 LYS A 58 39.520 -24.459 18.275 1.00 0.00 H new ATOM 0 HE2 LYS A 58 41.814 -24.556 17.306 1.00 0.00 H new ATOM 0 HE3 LYS A 58 41.254 -25.646 16.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 41.384 -23.381 15.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 39.770 -23.906 15.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 40.312 -22.850 16.456 1.00 0.00 H new ATOM 918 N LEU A 59 44.236 -27.413 19.716 1.00 0.00 N ATOM 919 CA LEU A 59 45.630 -26.938 19.762 1.00 0.00 C ATOM 920 C LEU A 59 45.752 -25.775 18.767 1.00 0.00 C ATOM 921 O LEU A 59 45.135 -25.808 17.695 1.00 0.00 O ATOM 922 CB LEU A 59 46.627 -28.087 19.404 1.00 0.00 C ATOM 923 CG LEU A 59 46.870 -29.142 20.530 1.00 0.00 C ATOM 924 CD1 LEU A 59 47.748 -30.310 20.034 1.00 0.00 C ATOM 925 CD2 LEU A 59 47.493 -28.474 21.775 1.00 0.00 C ATOM 0 H LEU A 59 44.013 -27.893 18.844 1.00 0.00 H new ATOM 0 HA LEU A 59 45.883 -26.605 20.769 1.00 0.00 H new ATOM 0 HB2 LEU A 59 46.255 -28.604 18.520 1.00 0.00 H new ATOM 0 HB3 LEU A 59 47.585 -27.642 19.134 1.00 0.00 H new ATOM 0 HG LEU A 59 45.902 -29.558 20.810 1.00 0.00 H new ATOM 0 HD11 LEU A 59 47.896 -31.024 20.844 1.00 0.00 H new ATOM 0 HD12 LEU A 59 47.255 -30.806 19.198 1.00 0.00 H new ATOM 0 HD13 LEU A 59 48.715 -29.926 19.708 1.00 0.00 H new ATOM 0 HD21 LEU A 59 47.655 -29.225 22.548 1.00 0.00 H new ATOM 0 HD22 LEU A 59 48.446 -28.020 21.505 1.00 0.00 H new ATOM 0 HD23 LEU A 59 46.818 -27.705 22.151 1.00 0.00 H new ATOM 937 N LEU A 60 46.526 -24.746 19.133 1.00 0.00 N ATOM 938 CA LEU A 60 46.702 -23.542 18.310 1.00 0.00 C ATOM 939 C LEU A 60 48.204 -23.234 18.205 1.00 0.00 C ATOM 940 O LEU A 60 48.819 -22.784 19.183 1.00 0.00 O ATOM 941 CB LEU A 60 45.932 -22.352 18.940 1.00 0.00 C ATOM 942 CG LEU A 60 45.624 -21.146 18.003 1.00 0.00 C ATOM 943 CD1 LEU A 60 44.619 -21.540 16.901 1.00 0.00 C ATOM 944 CD2 LEU A 60 45.118 -19.936 18.815 1.00 0.00 C ATOM 0 H LEU A 60 47.049 -24.724 20.009 1.00 0.00 H new ATOM 0 HA LEU A 60 46.300 -23.707 17.310 1.00 0.00 H new ATOM 0 HB2 LEU A 60 44.987 -22.728 19.334 1.00 0.00 H new ATOM 0 HB3 LEU A 60 46.508 -21.985 19.790 1.00 0.00 H new ATOM 0 HG LEU A 60 46.553 -20.855 17.512 1.00 0.00 H new ATOM 0 HD11 LEU A 60 44.423 -20.679 16.262 1.00 0.00 H new ATOM 0 HD12 LEU A 60 45.036 -22.349 16.301 1.00 0.00 H new ATOM 0 HD13 LEU A 60 43.687 -21.871 17.360 1.00 0.00 H new ATOM 0 HD21 LEU A 60 44.910 -19.106 18.140 1.00 0.00 H new ATOM 0 HD22 LEU A 60 44.206 -20.210 19.346 1.00 0.00 H new ATOM 0 HD23 LEU A 60 45.880 -19.636 19.534 1.00 0.00 H new ATOM 956 N LEU A 61 48.791 -23.569 17.043 1.00 0.00 N ATOM 957 CA LEU A 61 50.201 -23.297 16.735 1.00 0.00 C ATOM 958 C LEU A 61 50.262 -21.901 16.112 1.00 0.00 C ATOM 959 O LEU A 61 49.723 -21.678 15.024 1.00 0.00 O ATOM 960 CB LEU A 61 50.769 -24.400 15.771 1.00 0.00 C ATOM 961 CG LEU A 61 52.339 -24.538 15.644 1.00 0.00 C ATOM 962 CD1 LEU A 61 52.993 -23.368 14.860 1.00 0.00 C ATOM 963 CD2 LEU A 61 52.993 -24.715 17.044 1.00 0.00 C ATOM 0 H LEU A 61 48.294 -24.040 16.287 1.00 0.00 H new ATOM 0 HA LEU A 61 50.819 -23.325 17.632 1.00 0.00 H new ATOM 0 HB2 LEU A 61 50.374 -25.363 16.096 1.00 0.00 H new ATOM 0 HB3 LEU A 61 50.369 -24.211 14.775 1.00 0.00 H new ATOM 0 HG LEU A 61 52.526 -25.437 15.056 1.00 0.00 H new ATOM 0 HD11 LEU A 61 54.071 -23.522 14.808 1.00 0.00 H new ATOM 0 HD12 LEU A 61 52.583 -23.332 13.851 1.00 0.00 H new ATOM 0 HD13 LEU A 61 52.785 -22.427 15.370 1.00 0.00 H new ATOM 0 HD21 LEU A 61 54.073 -24.808 16.932 1.00 0.00 H new ATOM 0 HD22 LEU A 61 52.766 -23.848 17.664 1.00 0.00 H new ATOM 0 HD23 LEU A 61 52.599 -25.614 17.519 1.00 0.00 H new ATOM 975 N THR A 62 50.888 -20.973 16.835 1.00 0.00 N ATOM 976 CA THR A 62 50.978 -19.551 16.469 1.00 0.00 C ATOM 977 C THR A 62 52.409 -19.054 16.748 1.00 0.00 C ATOM 978 O THR A 62 53.010 -19.459 17.738 1.00 0.00 O ATOM 979 CB THR A 62 49.950 -18.704 17.299 1.00 0.00 C ATOM 980 OG1 THR A 62 50.109 -18.959 18.714 1.00 0.00 O ATOM 981 CG2 THR A 62 48.487 -18.986 16.885 1.00 0.00 C ATOM 0 H THR A 62 51.359 -21.189 17.713 1.00 0.00 H new ATOM 0 HA THR A 62 50.743 -19.436 15.411 1.00 0.00 H new ATOM 0 HB THR A 62 50.161 -17.656 17.087 1.00 0.00 H new ATOM 0 HG1 THR A 62 50.711 -19.721 18.843 1.00 0.00 H new ATOM 0 HG21 THR A 62 47.814 -18.376 17.488 1.00 0.00 H new ATOM 0 HG22 THR A 62 48.353 -18.741 15.831 1.00 0.00 H new ATOM 0 HG23 THR A 62 48.261 -20.040 17.043 1.00 0.00 H new ATOM 989 N LYS A 63 52.950 -18.185 15.877 1.00 0.00 N ATOM 990 CA LYS A 63 54.328 -17.657 16.015 1.00 0.00 C ATOM 991 C LYS A 63 54.412 -16.251 15.379 1.00 0.00 C ATOM 992 O LYS A 63 54.894 -15.308 16.038 1.00 0.00 O ATOM 993 CB LYS A 63 55.409 -18.644 15.420 1.00 0.00 C ATOM 994 CG LYS A 63 55.366 -18.929 13.889 1.00 0.00 C ATOM 995 CD LYS A 63 54.122 -19.729 13.432 1.00 0.00 C ATOM 996 CE LYS A 63 54.059 -19.898 11.903 1.00 0.00 C ATOM 997 NZ LYS A 63 52.823 -20.598 11.469 1.00 0.00 N ATOM 998 OXT LYS A 63 53.943 -16.077 14.232 1.00 0.00 O ATOM 0 H LYS A 63 52.453 -17.828 15.061 1.00 0.00 H new ATOM 0 HA LYS A 63 54.558 -17.571 17.077 1.00 0.00 H new ATOM 0 HB2 LYS A 63 56.395 -18.245 15.659 1.00 0.00 H new ATOM 0 HB3 LYS A 63 55.316 -19.597 15.941 1.00 0.00 H new ATOM 0 HG2 LYS A 63 55.393 -17.981 13.352 1.00 0.00 H new ATOM 0 HG3 LYS A 63 56.263 -19.480 13.607 1.00 0.00 H new ATOM 0 HD2 LYS A 63 54.133 -20.712 13.903 1.00 0.00 H new ATOM 0 HD3 LYS A 63 53.221 -19.221 13.776 1.00 0.00 H new ATOM 0 HE2 LYS A 63 54.106 -18.918 11.428 1.00 0.00 H new ATOM 0 HE3 LYS A 63 54.930 -20.458 11.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 52.822 -20.690 10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 52.790 -21.544 11.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 51.991 -20.051 11.769 1.00 0.00 H new