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 30 SER OG : rot 110:sc= -0.365 USER MOD Set 1.2: A 44 HIS : no HD1:sc= 0.385 K(o=0.45,f=-0.51) USER MOD Set 1.3: A 49 TYR OH : rot 5:sc= 0.427 USER MOD Single : A 29 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.4) USER MOD Single : A 31 GLN : amide:sc= -0.0806 K(o=-0.081,f=-0.6) USER MOD Single : A 39 LYS NZ :NH3+ -173:sc=-0.00752 (180deg=-0.0681) 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 -57:sc= -0.987 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= -0.495 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 355 N ALA A 23 50.060 -16.636 24.478 1.00 0.00 N ATOM 356 CA ALA A 23 49.460 -17.205 25.706 1.00 0.00 C ATOM 357 C ALA A 23 50.360 -17.021 26.941 1.00 0.00 C ATOM 358 O ALA A 23 49.866 -16.765 28.048 1.00 0.00 O ATOM 359 CB ALA A 23 49.157 -18.689 25.490 1.00 0.00 C ATOM 0 HA ALA A 23 48.536 -16.661 25.902 1.00 0.00 H new ATOM 0 HB1 ALA A 23 48.715 -19.106 26.395 1.00 0.00 H new ATOM 0 HB2 ALA A 23 48.458 -18.801 24.661 1.00 0.00 H new ATOM 0 HB3 ALA A 23 50.081 -19.219 25.260 1.00 0.00 H new ATOM 365 N ALA A 24 51.676 -17.160 26.710 1.00 0.00 N ATOM 366 CA ALA A 24 52.717 -16.928 27.719 1.00 0.00 C ATOM 367 C ALA A 24 54.100 -16.822 27.049 1.00 0.00 C ATOM 368 O ALA A 24 54.214 -16.811 25.814 1.00 0.00 O ATOM 369 CB ALA A 24 52.692 -18.041 28.775 1.00 0.00 C ATOM 0 H ALA A 24 52.050 -17.441 25.803 1.00 0.00 H new ATOM 0 HA ALA A 24 52.517 -15.982 28.223 1.00 0.00 H new ATOM 0 HB1 ALA A 24 53.469 -17.856 29.517 1.00 0.00 H new ATOM 0 HB2 ALA A 24 51.719 -18.056 29.265 1.00 0.00 H new ATOM 0 HB3 ALA A 24 52.871 -19.003 28.294 1.00 0.00 H new ATOM 375 N GLU A 25 55.145 -16.762 27.883 1.00 0.00 N ATOM 376 CA GLU A 25 56.547 -16.619 27.450 1.00 0.00 C ATOM 377 C GLU A 25 57.374 -17.821 27.942 1.00 0.00 C ATOM 378 O GLU A 25 58.599 -17.724 28.111 1.00 0.00 O ATOM 379 CB GLU A 25 57.131 -15.262 27.952 1.00 0.00 C ATOM 380 CG GLU A 25 57.235 -15.079 29.489 1.00 0.00 C ATOM 381 CD GLU A 25 55.879 -15.047 30.225 1.00 0.00 C ATOM 382 OE1 GLU A 25 55.184 -14.016 30.160 1.00 0.00 O ATOM 383 OE2 GLU A 25 55.482 -16.074 30.824 1.00 0.00 O ATOM 0 H GLU A 25 55.042 -16.812 28.897 1.00 0.00 H new ATOM 0 HA GLU A 25 56.593 -16.610 26.361 1.00 0.00 H new ATOM 0 HB2 GLU A 25 58.127 -15.141 27.526 1.00 0.00 H new ATOM 0 HB3 GLU A 25 56.514 -14.457 27.554 1.00 0.00 H new ATOM 0 HG2 GLU A 25 57.837 -15.890 29.898 1.00 0.00 H new ATOM 0 HG3 GLU A 25 57.768 -14.151 29.696 1.00 0.00 H new ATOM 390 N ARG A 26 56.683 -18.968 28.122 1.00 0.00 N ATOM 391 CA ARG A 26 57.284 -20.237 28.570 1.00 0.00 C ATOM 392 C ARG A 26 58.127 -20.844 27.422 1.00 0.00 C ATOM 393 O ARG A 26 57.685 -21.756 26.715 1.00 0.00 O ATOM 394 CB ARG A 26 56.157 -21.213 29.010 1.00 0.00 C ATOM 395 CG ARG A 26 56.629 -22.487 29.769 1.00 0.00 C ATOM 396 CD ARG A 26 56.782 -22.270 31.278 1.00 0.00 C ATOM 397 NE ARG A 26 55.473 -22.045 31.930 1.00 0.00 N ATOM 398 CZ ARG A 26 55.291 -21.644 33.199 1.00 0.00 C ATOM 399 NH1 ARG A 26 56.328 -21.385 33.991 1.00 0.00 N ATOM 400 NH2 ARG A 26 54.064 -21.511 33.679 1.00 0.00 N ATOM 0 H ARG A 26 55.679 -19.036 27.957 1.00 0.00 H new ATOM 0 HA ARG A 26 57.941 -20.060 29.421 1.00 0.00 H new ATOM 0 HB2 ARG A 26 55.459 -20.670 29.647 1.00 0.00 H new ATOM 0 HB3 ARG A 26 55.604 -21.524 28.124 1.00 0.00 H new ATOM 0 HG2 ARG A 26 55.914 -23.291 29.595 1.00 0.00 H new ATOM 0 HG3 ARG A 26 57.584 -22.814 29.357 1.00 0.00 H new ATOM 0 HD2 ARG A 26 57.267 -23.138 31.724 1.00 0.00 H new ATOM 0 HD3 ARG A 26 57.432 -21.414 31.459 1.00 0.00 H new ATOM 0 HE ARG A 26 54.638 -22.208 31.368 1.00 0.00 H new ATOM 0 HH11 ARG A 26 57.279 -21.490 33.637 1.00 0.00 H new ATOM 0 HH12 ARG A 26 56.172 -21.081 34.952 1.00 0.00 H new ATOM 0 HH21 ARG A 26 53.259 -21.713 33.085 1.00 0.00 H new ATOM 0 HH22 ARG A 26 53.923 -21.207 34.642 1.00 0.00 H new ATOM 414 N ARG A 27 59.320 -20.277 27.209 1.00 0.00 N ATOM 415 CA ARG A 27 60.173 -20.610 26.059 1.00 0.00 C ATOM 416 C ARG A 27 60.972 -21.883 26.384 1.00 0.00 C ATOM 417 O ARG A 27 62.081 -21.822 26.938 1.00 0.00 O ATOM 418 CB ARG A 27 61.095 -19.405 25.715 1.00 0.00 C ATOM 419 CG ARG A 27 61.541 -19.306 24.235 1.00 0.00 C ATOM 420 CD ARG A 27 62.541 -18.152 24.001 1.00 0.00 C ATOM 421 NE ARG A 27 62.198 -16.939 24.782 1.00 0.00 N ATOM 422 CZ ARG A 27 62.221 -15.674 24.336 1.00 0.00 C ATOM 423 NH1 ARG A 27 62.466 -15.392 23.064 1.00 0.00 N ATOM 424 NH2 ARG A 27 61.971 -14.691 25.179 1.00 0.00 N ATOM 0 H ARG A 27 59.723 -19.574 27.829 1.00 0.00 H new ATOM 0 HA ARG A 27 59.565 -20.808 25.176 1.00 0.00 H new ATOM 0 HB2 ARG A 27 60.575 -18.485 25.982 1.00 0.00 H new ATOM 0 HB3 ARG A 27 61.985 -19.461 26.341 1.00 0.00 H new ATOM 0 HG2 ARG A 27 61.999 -20.248 23.932 1.00 0.00 H new ATOM 0 HG3 ARG A 27 60.665 -19.159 23.603 1.00 0.00 H new ATOM 0 HD2 ARG A 27 63.544 -18.483 24.271 1.00 0.00 H new ATOM 0 HD3 ARG A 27 62.563 -17.903 22.940 1.00 0.00 H new ATOM 0 HE ARG A 27 61.917 -17.080 25.752 1.00 0.00 H new ATOM 0 HH11 ARG A 27 62.643 -16.145 22.399 1.00 0.00 H new ATOM 0 HH12 ARG A 27 62.478 -14.422 22.750 1.00 0.00 H new ATOM 0 HH21 ARG A 27 61.764 -14.897 26.156 1.00 0.00 H new ATOM 0 HH22 ARG A 27 61.985 -13.724 24.854 1.00 0.00 H new ATOM 438 N VAL A 28 60.343 -23.031 26.112 1.00 0.00 N ATOM 439 CA VAL A 28 60.882 -24.366 26.426 1.00 0.00 C ATOM 440 C VAL A 28 61.184 -25.119 25.131 1.00 0.00 C ATOM 441 O VAL A 28 60.574 -24.844 24.101 1.00 0.00 O ATOM 442 CB VAL A 28 59.863 -25.200 27.296 1.00 0.00 C ATOM 443 CG1 VAL A 28 59.597 -24.517 28.654 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.543 -25.445 26.536 1.00 0.00 C ATOM 0 H VAL A 28 59.429 -23.063 25.660 1.00 0.00 H new ATOM 0 HA VAL A 28 61.799 -24.236 27.000 1.00 0.00 H new ATOM 0 HB VAL A 28 60.320 -26.170 27.492 1.00 0.00 H new ATOM 0 HG11 VAL A 28 58.891 -25.115 29.230 1.00 0.00 H new ATOM 0 HG12 VAL A 28 60.533 -24.428 29.206 1.00 0.00 H new ATOM 0 HG13 VAL A 28 59.179 -23.524 28.486 1.00 0.00 H new ATOM 0 HG21 VAL A 28 57.864 -26.022 27.163 1.00 0.00 H new ATOM 0 HG22 VAL A 28 58.083 -24.488 26.288 1.00 0.00 H new ATOM 0 HG23 VAL A 28 58.748 -25.998 25.619 1.00 0.00 H new ATOM 454 N ASN A 29 62.132 -26.061 25.204 1.00 0.00 N ATOM 455 CA ASN A 29 62.446 -26.986 24.090 1.00 0.00 C ATOM 456 C ASN A 29 61.181 -27.774 23.645 1.00 0.00 C ATOM 457 O ASN A 29 60.278 -28.007 24.457 1.00 0.00 O ATOM 458 CB ASN A 29 63.568 -27.964 24.535 1.00 0.00 C ATOM 459 CG ASN A 29 64.007 -28.968 23.457 1.00 0.00 C ATOM 460 OD1 ASN A 29 63.980 -28.682 22.257 1.00 0.00 O ATOM 461 ND2 ASN A 29 64.415 -30.156 23.873 1.00 0.00 N ATOM 0 H ASN A 29 62.707 -26.210 26.033 1.00 0.00 H new ATOM 0 HA ASN A 29 62.790 -26.404 23.235 1.00 0.00 H new ATOM 0 HB2 ASN A 29 64.436 -27.383 24.846 1.00 0.00 H new ATOM 0 HB3 ASN A 29 63.224 -28.517 25.409 1.00 0.00 H new ATOM 0 HD21 ASN A 29 64.716 -30.858 23.196 1.00 0.00 H new ATOM 0 HD22 ASN A 29 64.429 -30.370 24.870 1.00 0.00 H new ATOM 468 N SER A 30 61.155 -28.173 22.356 1.00 0.00 N ATOM 469 CA SER A 30 60.040 -28.925 21.723 1.00 0.00 C ATOM 470 C SER A 30 59.578 -30.176 22.516 1.00 0.00 C ATOM 471 O SER A 30 58.429 -30.601 22.373 1.00 0.00 O ATOM 472 CB SER A 30 60.465 -29.341 20.300 1.00 0.00 C ATOM 473 OG SER A 30 60.967 -28.238 19.580 1.00 0.00 O ATOM 0 H SER A 30 61.921 -27.980 21.710 1.00 0.00 H new ATOM 0 HA SER A 30 59.182 -28.253 21.706 1.00 0.00 H new ATOM 0 HB2 SER A 30 61.226 -30.119 20.357 1.00 0.00 H new ATOM 0 HB3 SER A 30 59.612 -29.767 19.772 1.00 0.00 H new ATOM 0 HG SER A 30 61.933 -28.342 19.454 1.00 0.00 H new ATOM 479 N GLN A 31 60.469 -30.763 23.345 1.00 0.00 N ATOM 480 CA GLN A 31 60.123 -31.924 24.203 1.00 0.00 C ATOM 481 C GLN A 31 58.944 -31.595 25.163 1.00 0.00 C ATOM 482 O GLN A 31 58.101 -32.455 25.455 1.00 0.00 O ATOM 483 CB GLN A 31 61.374 -32.397 25.000 1.00 0.00 C ATOM 484 CG GLN A 31 61.929 -31.359 25.998 1.00 0.00 C ATOM 485 CD GLN A 31 63.225 -31.794 26.691 1.00 0.00 C ATOM 486 OE1 GLN A 31 64.042 -32.513 26.114 1.00 0.00 O ATOM 487 NE2 GLN A 31 63.431 -31.351 27.922 1.00 0.00 N ATOM 0 H GLN A 31 61.436 -30.453 23.440 1.00 0.00 H new ATOM 0 HA GLN A 31 59.795 -32.736 23.554 1.00 0.00 H new ATOM 0 HB2 GLN A 31 61.119 -33.306 25.545 1.00 0.00 H new ATOM 0 HB3 GLN A 31 62.161 -32.659 24.293 1.00 0.00 H new ATOM 0 HG2 GLN A 31 62.108 -30.422 25.471 1.00 0.00 H new ATOM 0 HG3 GLN A 31 61.173 -31.159 26.757 1.00 0.00 H new ATOM 0 HE21 GLN A 31 62.735 -30.757 28.373 1.00 0.00 H new ATOM 0 HE22 GLN A 31 64.285 -31.604 28.419 1.00 0.00 H new ATOM 496 N ALA A 32 58.878 -30.330 25.606 1.00 0.00 N ATOM 497 CA ALA A 32 57.821 -29.811 26.489 1.00 0.00 C ATOM 498 C ALA A 32 56.870 -28.881 25.702 1.00 0.00 C ATOM 499 O ALA A 32 56.334 -27.921 26.265 1.00 0.00 O ATOM 500 CB ALA A 32 58.485 -29.078 27.670 1.00 0.00 C ATOM 0 H ALA A 32 59.571 -29.625 25.356 1.00 0.00 H new ATOM 0 HA ALA A 32 57.217 -30.631 26.877 1.00 0.00 H new ATOM 0 HB1 ALA A 32 57.715 -28.687 28.335 1.00 0.00 H new ATOM 0 HB2 ALA A 32 59.120 -29.773 28.219 1.00 0.00 H new ATOM 0 HB3 ALA A 32 59.091 -28.254 27.293 1.00 0.00 H new ATOM 506 N LEU A 33 56.628 -29.224 24.406 1.00 0.00 N ATOM 507 CA LEU A 33 55.769 -28.430 23.473 1.00 0.00 C ATOM 508 C LEU A 33 54.349 -28.133 24.010 1.00 0.00 C ATOM 509 O LEU A 33 53.665 -27.243 23.489 1.00 0.00 O ATOM 510 CB LEU A 33 55.658 -29.114 22.073 1.00 0.00 C ATOM 511 CG LEU A 33 54.733 -30.376 21.937 1.00 0.00 C ATOM 512 CD1 LEU A 33 54.502 -30.731 20.451 1.00 0.00 C ATOM 513 CD2 LEU A 33 55.286 -31.594 22.710 1.00 0.00 C ATOM 0 H LEU A 33 57.023 -30.060 23.975 1.00 0.00 H new ATOM 0 HA LEU A 33 56.281 -27.472 23.381 1.00 0.00 H new ATOM 0 HB2 LEU A 33 55.307 -28.365 21.363 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.662 -29.402 21.762 1.00 0.00 H new ATOM 0 HG LEU A 33 53.775 -30.118 22.387 1.00 0.00 H new ATOM 0 HD11 LEU A 33 53.859 -31.608 20.382 1.00 0.00 H new ATOM 0 HD12 LEU A 33 54.025 -29.891 19.946 1.00 0.00 H new ATOM 0 HD13 LEU A 33 55.459 -30.945 19.975 1.00 0.00 H new ATOM 0 HD21 LEU A 33 54.611 -32.441 22.585 1.00 0.00 H new ATOM 0 HD22 LEU A 33 56.271 -31.854 22.322 1.00 0.00 H new ATOM 0 HD23 LEU A 33 55.366 -31.347 23.769 1.00 0.00 H new ATOM 525 N LEU A 34 53.902 -28.905 25.011 1.00 0.00 N ATOM 526 CA LEU A 34 52.687 -28.606 25.787 1.00 0.00 C ATOM 527 C LEU A 34 53.020 -28.769 27.277 1.00 0.00 C ATOM 528 O LEU A 34 53.040 -27.785 28.030 1.00 0.00 O ATOM 529 CB LEU A 34 51.501 -29.522 25.344 1.00 0.00 C ATOM 530 CG LEU A 34 50.986 -29.312 23.877 1.00 0.00 C ATOM 531 CD1 LEU A 34 49.907 -30.345 23.483 1.00 0.00 C ATOM 532 CD2 LEU A 34 50.474 -27.867 23.672 1.00 0.00 C ATOM 0 H LEU A 34 54.375 -29.759 25.307 1.00 0.00 H new ATOM 0 HA LEU A 34 52.363 -27.581 25.604 1.00 0.00 H new ATOM 0 HB2 LEU A 34 51.809 -30.562 25.455 1.00 0.00 H new ATOM 0 HB3 LEU A 34 50.668 -29.361 26.028 1.00 0.00 H new ATOM 0 HG LEU A 34 51.836 -29.472 23.213 1.00 0.00 H new ATOM 0 HD11 LEU A 34 49.582 -30.159 22.459 1.00 0.00 H new ATOM 0 HD12 LEU A 34 50.322 -31.350 23.555 1.00 0.00 H new ATOM 0 HD13 LEU A 34 49.055 -30.256 24.156 1.00 0.00 H new ATOM 0 HD21 LEU A 34 50.123 -27.747 22.647 1.00 0.00 H new ATOM 0 HD22 LEU A 34 49.654 -27.670 24.362 1.00 0.00 H new ATOM 0 HD23 LEU A 34 51.285 -27.163 23.862 1.00 0.00 H new ATOM 544 N GLY A 35 53.316 -30.017 27.674 1.00 0.00 N ATOM 545 CA GLY A 35 53.665 -30.343 29.057 1.00 0.00 C ATOM 546 C GLY A 35 52.483 -30.233 30.027 1.00 0.00 C ATOM 547 O GLY A 35 51.322 -30.327 29.595 1.00 0.00 O ATOM 0 H GLY A 35 53.319 -30.821 27.046 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.062 -31.357 29.094 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.461 -29.677 29.389 1.00 0.00 H new ATOM 551 N PRO A 36 52.741 -30.003 31.354 1.00 0.00 N ATOM 552 CA PRO A 36 51.670 -29.798 32.364 1.00 0.00 C ATOM 553 C PRO A 36 51.110 -28.349 32.363 1.00 0.00 C ATOM 554 O PRO A 36 50.238 -28.009 33.177 1.00 0.00 O ATOM 555 CB PRO A 36 52.403 -30.142 33.687 1.00 0.00 C ATOM 556 CG PRO A 36 53.815 -29.682 33.450 1.00 0.00 C ATOM 557 CD PRO A 36 54.100 -29.934 31.977 1.00 0.00 C ATOM 0 HA PRO A 36 50.785 -30.407 32.180 1.00 0.00 H new ATOM 0 HB2 PRO A 36 51.954 -29.629 34.537 1.00 0.00 H new ATOM 0 HB3 PRO A 36 52.362 -31.210 33.900 1.00 0.00 H new ATOM 0 HG2 PRO A 36 53.926 -28.625 33.693 1.00 0.00 H new ATOM 0 HG3 PRO A 36 54.514 -30.230 34.081 1.00 0.00 H new ATOM 0 HD2 PRO A 36 54.698 -29.133 31.543 1.00 0.00 H new ATOM 0 HD3 PRO A 36 54.654 -30.861 31.830 1.00 0.00 H new ATOM 565 N ASP A 37 51.616 -27.521 31.434 1.00 0.00 N ATOM 566 CA ASP A 37 51.206 -26.121 31.260 1.00 0.00 C ATOM 567 C ASP A 37 50.167 -26.027 30.123 1.00 0.00 C ATOM 568 O ASP A 37 49.033 -25.576 30.331 1.00 0.00 O ATOM 569 CB ASP A 37 52.464 -25.276 30.952 1.00 0.00 C ATOM 570 CG ASP A 37 52.179 -23.775 30.809 1.00 0.00 C ATOM 571 OD1 ASP A 37 52.223 -23.042 31.826 1.00 0.00 O ATOM 572 OD2 ASP A 37 51.923 -23.318 29.681 1.00 0.00 O ATOM 0 H ASP A 37 52.335 -27.813 30.772 1.00 0.00 H new ATOM 0 HA ASP A 37 50.740 -25.737 32.168 1.00 0.00 H new ATOM 0 HB2 ASP A 37 53.194 -25.424 31.748 1.00 0.00 H new ATOM 0 HB3 ASP A 37 52.919 -25.640 30.031 1.00 0.00 H new ATOM 577 N GLY A 38 50.578 -26.471 28.920 1.00 0.00 N ATOM 578 CA GLY A 38 49.688 -26.568 27.755 1.00 0.00 C ATOM 579 C GLY A 38 49.756 -25.390 26.780 1.00 0.00 C ATOM 580 O GLY A 38 49.203 -25.479 25.683 1.00 0.00 O ATOM 0 H GLY A 38 51.535 -26.771 28.732 1.00 0.00 H new ATOM 0 HA2 GLY A 38 49.926 -27.482 27.212 1.00 0.00 H new ATOM 0 HA3 GLY A 38 48.662 -26.666 28.109 1.00 0.00 H new ATOM 584 N LYS A 39 50.424 -24.286 27.166 1.00 0.00 N ATOM 585 CA LYS A 39 50.483 -23.047 26.345 1.00 0.00 C ATOM 586 C LYS A 39 51.886 -22.399 26.425 1.00 0.00 C ATOM 587 O LYS A 39 52.133 -21.423 27.138 1.00 0.00 O ATOM 588 CB LYS A 39 49.303 -22.082 26.735 1.00 0.00 C ATOM 589 CG LYS A 39 49.004 -21.924 28.260 1.00 0.00 C ATOM 590 CD LYS A 39 49.766 -20.764 28.948 1.00 0.00 C ATOM 591 CE LYS A 39 49.501 -20.688 30.461 1.00 0.00 C ATOM 592 NZ LYS A 39 48.062 -20.497 30.761 1.00 0.00 N ATOM 0 H LYS A 39 50.936 -24.221 28.046 1.00 0.00 H new ATOM 0 HA LYS A 39 50.338 -23.293 25.293 1.00 0.00 H new ATOM 0 HB2 LYS A 39 49.521 -21.095 26.326 1.00 0.00 H new ATOM 0 HB3 LYS A 39 48.396 -22.437 26.245 1.00 0.00 H new ATOM 0 HG2 LYS A 39 47.933 -21.768 28.393 1.00 0.00 H new ATOM 0 HG3 LYS A 39 49.255 -22.857 28.765 1.00 0.00 H new ATOM 0 HD2 LYS A 39 50.836 -20.887 28.777 1.00 0.00 H new ATOM 0 HD3 LYS A 39 49.476 -19.821 28.486 1.00 0.00 H new ATOM 0 HE2 LYS A 39 49.853 -21.603 30.938 1.00 0.00 H new ATOM 0 HE3 LYS A 39 50.073 -19.865 30.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 47.939 -20.332 31.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 47.703 -19.677 30.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 47.533 -21.348 30.481 1.00 0.00 H new ATOM 606 N VAL A 40 52.813 -22.981 25.656 1.00 0.00 N ATOM 607 CA VAL A 40 54.257 -22.673 25.767 1.00 0.00 C ATOM 608 C VAL A 40 54.824 -22.213 24.409 1.00 0.00 C ATOM 609 O VAL A 40 54.220 -22.461 23.361 1.00 0.00 O ATOM 610 CB VAL A 40 55.063 -23.931 26.290 1.00 0.00 C ATOM 611 CG1 VAL A 40 54.438 -24.549 27.572 1.00 0.00 C ATOM 612 CG2 VAL A 40 55.221 -25.001 25.193 1.00 0.00 C ATOM 0 H VAL A 40 52.593 -23.675 24.942 1.00 0.00 H new ATOM 0 HA VAL A 40 54.370 -21.862 26.487 1.00 0.00 H new ATOM 0 HB VAL A 40 56.055 -23.566 26.557 1.00 0.00 H new ATOM 0 HG11 VAL A 40 55.030 -25.408 27.888 1.00 0.00 H new ATOM 0 HG12 VAL A 40 54.428 -23.804 28.367 1.00 0.00 H new ATOM 0 HG13 VAL A 40 53.418 -24.869 27.361 1.00 0.00 H new ATOM 0 HG21 VAL A 40 55.779 -25.849 25.590 1.00 0.00 H new ATOM 0 HG22 VAL A 40 54.236 -25.336 24.867 1.00 0.00 H new ATOM 0 HG23 VAL A 40 55.759 -24.577 24.346 1.00 0.00 H new ATOM 622 N ILE A 41 55.978 -21.517 24.440 1.00 0.00 N ATOM 623 CA ILE A 41 56.733 -21.163 23.226 1.00 0.00 C ATOM 624 C ILE A 41 57.740 -22.298 22.928 1.00 0.00 C ATOM 625 O ILE A 41 58.690 -22.513 23.689 1.00 0.00 O ATOM 626 CB ILE A 41 57.488 -19.789 23.363 1.00 0.00 C ATOM 627 CG1 ILE A 41 56.515 -18.643 23.788 1.00 0.00 C ATOM 628 CG2 ILE A 41 58.204 -19.427 22.039 1.00 0.00 C ATOM 629 CD1 ILE A 41 57.177 -17.282 23.972 1.00 0.00 C ATOM 0 H ILE A 41 56.409 -21.187 25.303 1.00 0.00 H new ATOM 0 HA ILE A 41 56.026 -21.047 22.404 1.00 0.00 H new ATOM 0 HB ILE A 41 58.237 -19.899 24.147 1.00 0.00 H new ATOM 0 HG12 ILE A 41 55.731 -18.552 23.036 1.00 0.00 H new ATOM 0 HG13 ILE A 41 56.029 -18.925 24.722 1.00 0.00 H new ATOM 0 HG21 ILE A 41 58.720 -18.474 22.153 1.00 0.00 H new ATOM 0 HG22 ILE A 41 58.927 -20.204 21.792 1.00 0.00 H new ATOM 0 HG23 ILE A 41 57.469 -19.348 21.238 1.00 0.00 H new ATOM 0 HD11 ILE A 41 56.426 -16.549 24.267 1.00 0.00 H new ATOM 0 HD12 ILE A 41 57.941 -17.351 24.747 1.00 0.00 H new ATOM 0 HD13 ILE A 41 57.638 -16.972 23.034 1.00 0.00 H new ATOM 641 N ILE A 42 57.474 -23.030 21.840 1.00 0.00 N ATOM 642 CA ILE A 42 58.285 -24.169 21.379 1.00 0.00 C ATOM 643 C ILE A 42 59.578 -23.662 20.724 1.00 0.00 C ATOM 644 O ILE A 42 59.548 -23.150 19.603 1.00 0.00 O ATOM 645 CB ILE A 42 57.488 -25.063 20.331 1.00 0.00 C ATOM 646 CG1 ILE A 42 56.277 -25.811 20.962 1.00 0.00 C ATOM 647 CG2 ILE A 42 58.405 -26.083 19.607 1.00 0.00 C ATOM 648 CD1 ILE A 42 55.191 -24.942 21.537 1.00 0.00 C ATOM 0 H ILE A 42 56.670 -22.845 21.240 1.00 0.00 H new ATOM 0 HA ILE A 42 58.521 -24.780 22.250 1.00 0.00 H new ATOM 0 HB ILE A 42 57.102 -24.355 19.598 1.00 0.00 H new ATOM 0 HG12 ILE A 42 55.835 -26.454 20.200 1.00 0.00 H new ATOM 0 HG13 ILE A 42 56.650 -26.463 21.752 1.00 0.00 H new ATOM 0 HG21 ILE A 42 57.814 -26.668 18.903 1.00 0.00 H new ATOM 0 HG22 ILE A 42 59.188 -25.550 19.068 1.00 0.00 H new ATOM 0 HG23 ILE A 42 58.859 -26.749 20.341 1.00 0.00 H new ATOM 0 HD11 ILE A 42 54.401 -25.571 21.948 1.00 0.00 H new ATOM 0 HD12 ILE A 42 55.606 -24.317 22.328 1.00 0.00 H new ATOM 0 HD13 ILE A 42 54.779 -24.308 20.752 1.00 0.00 H new ATOM 660 N ASP A 43 60.692 -23.798 21.441 1.00 0.00 N ATOM 661 CA ASP A 43 62.032 -23.629 20.874 1.00 0.00 C ATOM 662 C ASP A 43 62.393 -24.906 20.099 1.00 0.00 C ATOM 663 O ASP A 43 62.386 -26.013 20.675 1.00 0.00 O ATOM 664 CB ASP A 43 63.093 -23.355 21.973 1.00 0.00 C ATOM 665 CG ASP A 43 64.521 -23.202 21.390 1.00 0.00 C ATOM 666 OD1 ASP A 43 64.730 -22.326 20.522 1.00 0.00 O ATOM 667 OD2 ASP A 43 65.440 -23.951 21.796 1.00 0.00 O ATOM 0 H ASP A 43 60.693 -24.029 22.434 1.00 0.00 H new ATOM 0 HA ASP A 43 62.028 -22.764 20.210 1.00 0.00 H new ATOM 0 HB2 ASP A 43 62.825 -22.448 22.515 1.00 0.00 H new ATOM 0 HB3 ASP A 43 63.084 -24.172 22.695 1.00 0.00 H new ATOM 672 N HIS A 44 62.680 -24.738 18.804 1.00 0.00 N ATOM 673 CA HIS A 44 62.987 -25.847 17.893 1.00 0.00 C ATOM 674 C HIS A 44 64.026 -25.379 16.864 1.00 0.00 C ATOM 675 O HIS A 44 63.688 -24.668 15.907 1.00 0.00 O ATOM 676 CB HIS A 44 61.679 -26.330 17.214 1.00 0.00 C ATOM 677 CG HIS A 44 61.823 -27.591 16.402 1.00 0.00 C ATOM 678 ND1 HIS A 44 61.322 -27.732 15.127 1.00 0.00 N ATOM 679 CD2 HIS A 44 62.381 -28.789 16.713 1.00 0.00 C ATOM 680 CE1 HIS A 44 61.586 -28.946 14.684 1.00 0.00 C ATOM 681 NE2 HIS A 44 62.223 -29.602 15.632 1.00 0.00 N ATOM 0 H HIS A 44 62.706 -23.823 18.355 1.00 0.00 H new ATOM 0 HA HIS A 44 63.410 -26.689 18.441 1.00 0.00 H new ATOM 0 HB2 HIS A 44 60.924 -26.493 17.983 1.00 0.00 H new ATOM 0 HB3 HIS A 44 61.307 -25.536 16.566 1.00 0.00 H new ATOM 0 HD2 HIS A 44 62.861 -29.049 17.645 1.00 0.00 H new ATOM 0 HE1 HIS A 44 61.325 -29.335 13.711 1.00 0.00 H new ATOM 0 HE2 HIS A 44 62.547 -30.567 15.567 1.00 0.00 H new ATOM 690 N ASN A 45 65.304 -25.756 17.113 1.00 0.00 N ATOM 691 CA ASN A 45 66.483 -25.394 16.278 1.00 0.00 C ATOM 692 C ASN A 45 66.699 -23.867 16.230 1.00 0.00 C ATOM 693 O ASN A 45 67.340 -23.345 15.311 1.00 0.00 O ATOM 694 CB ASN A 45 66.377 -25.994 14.841 1.00 0.00 C ATOM 695 CG ASN A 45 66.189 -27.516 14.832 1.00 0.00 C ATOM 696 OD1 ASN A 45 67.152 -28.281 14.857 1.00 0.00 O ATOM 697 ND2 ASN A 45 64.942 -27.962 14.788 1.00 0.00 N ATOM 0 H ASN A 45 65.553 -26.333 17.917 1.00 0.00 H new ATOM 0 HA ASN A 45 67.359 -25.835 16.754 1.00 0.00 H new ATOM 0 HB2 ASN A 45 65.540 -25.528 14.321 1.00 0.00 H new ATOM 0 HB3 ASN A 45 67.279 -25.743 14.282 1.00 0.00 H new ATOM 0 HD21 ASN A 45 64.759 -28.965 14.774 1.00 0.00 H new ATOM 0 HD22 ASN A 45 64.165 -27.302 14.768 1.00 0.00 H new ATOM 704 N GLY A 46 66.180 -23.158 17.251 1.00 0.00 N ATOM 705 CA GLY A 46 66.247 -21.693 17.321 1.00 0.00 C ATOM 706 C GLY A 46 64.941 -21.025 16.906 1.00 0.00 C ATOM 707 O GLY A 46 64.682 -19.877 17.292 1.00 0.00 O ATOM 0 H GLY A 46 65.705 -23.587 18.046 1.00 0.00 H new ATOM 0 HA2 GLY A 46 66.497 -21.393 18.339 1.00 0.00 H new ATOM 0 HA3 GLY A 46 67.052 -21.339 16.677 1.00 0.00 H new ATOM 711 N GLN A 47 64.114 -21.746 16.123 1.00 0.00 N ATOM 712 CA GLN A 47 62.802 -21.253 15.679 1.00 0.00 C ATOM 713 C GLN A 47 61.792 -21.463 16.814 1.00 0.00 C ATOM 714 O GLN A 47 61.469 -22.610 17.160 1.00 0.00 O ATOM 715 CB GLN A 47 62.333 -21.988 14.389 1.00 0.00 C ATOM 716 CG GLN A 47 63.300 -21.856 13.189 1.00 0.00 C ATOM 717 CD GLN A 47 62.743 -22.466 11.896 1.00 0.00 C ATOM 718 OE1 GLN A 47 62.940 -23.646 11.597 1.00 0.00 O ATOM 719 NE2 GLN A 47 62.045 -21.662 11.115 1.00 0.00 N ATOM 0 H GLN A 47 64.338 -22.681 15.784 1.00 0.00 H new ATOM 0 HA GLN A 47 62.878 -20.192 15.439 1.00 0.00 H new ATOM 0 HB2 GLN A 47 62.199 -23.045 14.617 1.00 0.00 H new ATOM 0 HB3 GLN A 47 61.358 -21.598 14.098 1.00 0.00 H new ATOM 0 HG2 GLN A 47 63.519 -20.802 13.021 1.00 0.00 H new ATOM 0 HG3 GLN A 47 64.244 -22.342 13.436 1.00 0.00 H new ATOM 0 HE21 GLN A 47 61.897 -20.690 11.386 1.00 0.00 H new ATOM 0 HE22 GLN A 47 61.654 -22.013 10.241 1.00 0.00 H new ATOM 728 N GLU A 48 61.326 -20.358 17.408 1.00 0.00 N ATOM 729 CA GLU A 48 60.422 -20.379 18.567 1.00 0.00 C ATOM 730 C GLU A 48 58.982 -20.027 18.128 1.00 0.00 C ATOM 731 O GLU A 48 58.768 -19.056 17.389 1.00 0.00 O ATOM 732 CB GLU A 48 60.943 -19.422 19.664 1.00 0.00 C ATOM 733 CG GLU A 48 61.014 -17.942 19.252 1.00 0.00 C ATOM 734 CD GLU A 48 61.436 -17.026 20.407 1.00 0.00 C ATOM 735 OE1 GLU A 48 60.594 -16.742 21.287 1.00 0.00 O ATOM 736 OE2 GLU A 48 62.607 -16.586 20.441 1.00 0.00 O ATOM 0 H GLU A 48 61.567 -19.417 17.097 1.00 0.00 H new ATOM 0 HA GLU A 48 60.398 -21.383 18.990 1.00 0.00 H new ATOM 0 HB2 GLU A 48 60.298 -19.510 20.539 1.00 0.00 H new ATOM 0 HB3 GLU A 48 61.938 -19.748 19.967 1.00 0.00 H new ATOM 0 HG2 GLU A 48 61.720 -17.832 18.429 1.00 0.00 H new ATOM 0 HG3 GLU A 48 60.040 -17.625 18.880 1.00 0.00 H new ATOM 743 N TYR A 49 57.997 -20.840 18.555 1.00 0.00 N ATOM 744 CA TYR A 49 56.583 -20.681 18.147 1.00 0.00 C ATOM 745 C TYR A 49 55.607 -21.136 19.259 1.00 0.00 C ATOM 746 O TYR A 49 55.655 -22.279 19.706 1.00 0.00 O ATOM 747 CB TYR A 49 56.306 -21.405 16.788 1.00 0.00 C ATOM 748 CG TYR A 49 56.979 -22.782 16.566 1.00 0.00 C ATOM 749 CD1 TYR A 49 58.267 -22.887 16.031 1.00 0.00 C ATOM 750 CD2 TYR A 49 56.299 -23.972 16.825 1.00 0.00 C ATOM 751 CE1 TYR A 49 58.845 -24.116 15.783 1.00 0.00 C ATOM 752 CE2 TYR A 49 56.866 -25.201 16.565 1.00 0.00 C ATOM 753 CZ TYR A 49 58.139 -25.269 16.047 1.00 0.00 C ATOM 754 OH TYR A 49 58.705 -26.496 15.781 1.00 0.00 O ATOM 0 H TYR A 49 58.155 -21.623 19.190 1.00 0.00 H new ATOM 0 HA TYR A 49 56.401 -19.617 17.993 1.00 0.00 H new ATOM 0 HB2 TYR A 49 55.228 -21.537 16.690 1.00 0.00 H new ATOM 0 HB3 TYR A 49 56.621 -20.742 15.982 1.00 0.00 H new ATOM 0 HD1 TYR A 49 58.821 -21.987 15.807 1.00 0.00 H new ATOM 0 HD2 TYR A 49 55.303 -23.929 17.240 1.00 0.00 H new ATOM 0 HE1 TYR A 49 59.847 -24.173 15.384 1.00 0.00 H new ATOM 0 HE2 TYR A 49 56.314 -26.107 16.767 1.00 0.00 H new ATOM 0 HH TYR A 49 59.631 -26.372 15.486 1.00 0.00 H new ATOM 764 N LEU A 50 54.709 -20.214 19.661 1.00 0.00 N ATOM 765 CA LEU A 50 53.749 -20.393 20.765 1.00 0.00 C ATOM 766 C LEU A 50 52.606 -21.346 20.327 1.00 0.00 C ATOM 767 O LEU A 50 51.800 -21.001 19.457 1.00 0.00 O ATOM 768 CB LEU A 50 53.226 -18.965 21.172 1.00 0.00 C ATOM 769 CG LEU A 50 52.231 -18.783 22.395 1.00 0.00 C ATOM 770 CD1 LEU A 50 50.789 -19.233 22.084 1.00 0.00 C ATOM 771 CD2 LEU A 50 52.761 -19.461 23.677 1.00 0.00 C ATOM 0 H LEU A 50 54.631 -19.301 19.214 1.00 0.00 H new ATOM 0 HA LEU A 50 54.218 -20.858 21.632 1.00 0.00 H new ATOM 0 HB2 LEU A 50 54.102 -18.349 21.377 1.00 0.00 H new ATOM 0 HB3 LEU A 50 52.737 -18.541 20.295 1.00 0.00 H new ATOM 0 HG LEU A 50 52.186 -17.709 22.575 1.00 0.00 H new ATOM 0 HD11 LEU A 50 50.163 -19.081 22.963 1.00 0.00 H new ATOM 0 HD12 LEU A 50 50.396 -18.647 21.253 1.00 0.00 H new ATOM 0 HD13 LEU A 50 50.787 -20.289 21.816 1.00 0.00 H new ATOM 0 HD21 LEU A 50 52.049 -19.312 24.489 1.00 0.00 H new ATOM 0 HD22 LEU A 50 52.888 -20.529 23.498 1.00 0.00 H new ATOM 0 HD23 LEU A 50 53.720 -19.022 23.951 1.00 0.00 H new ATOM 783 N LEU A 51 52.574 -22.551 20.913 1.00 0.00 N ATOM 784 CA LEU A 51 51.453 -23.504 20.761 1.00 0.00 C ATOM 785 C LEU A 51 50.640 -23.475 22.051 1.00 0.00 C ATOM 786 O LEU A 51 51.207 -23.607 23.151 1.00 0.00 O ATOM 787 CB LEU A 51 51.969 -24.936 20.486 1.00 0.00 C ATOM 788 CG LEU A 51 50.897 -26.042 20.227 1.00 0.00 C ATOM 789 CD1 LEU A 51 50.044 -25.724 18.987 1.00 0.00 C ATOM 790 CD2 LEU A 51 51.558 -27.439 20.105 1.00 0.00 C ATOM 0 H LEU A 51 53.325 -22.898 21.509 1.00 0.00 H new ATOM 0 HA LEU A 51 50.837 -23.214 19.910 1.00 0.00 H new ATOM 0 HB2 LEU A 51 52.630 -24.897 19.620 1.00 0.00 H new ATOM 0 HB3 LEU A 51 52.576 -25.246 21.337 1.00 0.00 H new ATOM 0 HG LEU A 51 50.229 -26.058 21.088 1.00 0.00 H new ATOM 0 HD11 LEU A 51 49.309 -26.515 18.838 1.00 0.00 H new ATOM 0 HD12 LEU A 51 49.530 -24.774 19.133 1.00 0.00 H new ATOM 0 HD13 LEU A 51 50.688 -25.657 18.110 1.00 0.00 H new ATOM 0 HD21 LEU A 51 50.789 -28.191 19.925 1.00 0.00 H new ATOM 0 HD22 LEU A 51 52.264 -27.436 19.275 1.00 0.00 H new ATOM 0 HD23 LEU A 51 52.086 -27.674 21.029 1.00 0.00 H new ATOM 802 N ARG A 52 49.317 -23.306 21.915 1.00 0.00 N ATOM 803 CA ARG A 52 48.420 -23.139 23.060 1.00 0.00 C ATOM 804 C ARG A 52 47.190 -24.060 22.945 1.00 0.00 C ATOM 805 O ARG A 52 46.577 -24.176 21.870 1.00 0.00 O ATOM 806 CB ARG A 52 48.022 -21.640 23.175 1.00 0.00 C ATOM 807 CG ARG A 52 47.217 -21.066 21.990 1.00 0.00 C ATOM 808 CD ARG A 52 47.039 -19.538 22.064 1.00 0.00 C ATOM 809 NE ARG A 52 46.285 -19.111 23.255 1.00 0.00 N ATOM 810 CZ ARG A 52 46.222 -17.854 23.733 1.00 0.00 C ATOM 811 NH1 ARG A 52 46.895 -16.853 23.152 1.00 0.00 N ATOM 812 NH2 ARG A 52 45.486 -17.596 24.798 1.00 0.00 N ATOM 0 H ARG A 52 48.844 -23.282 21.012 1.00 0.00 H new ATOM 0 HA ARG A 52 48.936 -23.433 23.974 1.00 0.00 H new ATOM 0 HB2 ARG A 52 47.437 -21.508 24.085 1.00 0.00 H new ATOM 0 HB3 ARG A 52 48.931 -21.050 23.292 1.00 0.00 H new ATOM 0 HG2 ARG A 52 47.721 -21.322 21.058 1.00 0.00 H new ATOM 0 HG3 ARG A 52 46.235 -21.539 21.962 1.00 0.00 H new ATOM 0 HD2 ARG A 52 48.020 -19.062 22.070 1.00 0.00 H new ATOM 0 HD3 ARG A 52 46.522 -19.193 21.169 1.00 0.00 H new ATOM 0 HE ARG A 52 45.766 -19.829 23.761 1.00 0.00 H new ATOM 0 HH11 ARG A 52 47.470 -17.035 22.330 1.00 0.00 H new ATOM 0 HH12 ARG A 52 46.832 -15.908 23.532 1.00 0.00 H new ATOM 0 HH21 ARG A 52 44.969 -18.347 25.255 1.00 0.00 H new ATOM 0 HH22 ARG A 52 45.435 -16.645 25.164 1.00 0.00 H new ATOM 826 N LYS A 53 46.865 -24.739 24.063 1.00 0.00 N ATOM 827 CA LYS A 53 45.671 -25.590 24.190 1.00 0.00 C ATOM 828 C LYS A 53 44.469 -24.728 24.585 1.00 0.00 C ATOM 829 O LYS A 53 44.381 -24.256 25.726 1.00 0.00 O ATOM 830 CB LYS A 53 45.885 -26.709 25.249 1.00 0.00 C ATOM 831 CG LYS A 53 46.895 -27.797 24.836 1.00 0.00 C ATOM 832 CD LYS A 53 47.165 -28.823 25.963 1.00 0.00 C ATOM 833 CE LYS A 53 45.916 -29.624 26.367 1.00 0.00 C ATOM 834 NZ LYS A 53 46.204 -30.566 27.484 1.00 0.00 N ATOM 0 H LYS A 53 47.432 -24.710 24.911 1.00 0.00 H new ATOM 0 HA LYS A 53 45.486 -26.066 23.227 1.00 0.00 H new ATOM 0 HB2 LYS A 53 46.223 -26.252 26.179 1.00 0.00 H new ATOM 0 HB3 LYS A 53 44.926 -27.182 25.457 1.00 0.00 H new ATOM 0 HG2 LYS A 53 46.519 -28.320 23.957 1.00 0.00 H new ATOM 0 HG3 LYS A 53 47.834 -27.324 24.548 1.00 0.00 H new ATOM 0 HD2 LYS A 53 47.942 -29.514 25.637 1.00 0.00 H new ATOM 0 HD3 LYS A 53 47.551 -28.299 26.837 1.00 0.00 H new ATOM 0 HE2 LYS A 53 45.124 -28.937 26.665 1.00 0.00 H new ATOM 0 HE3 LYS A 53 45.547 -30.182 25.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 45.339 -31.089 27.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 46.942 -31.237 27.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 46.532 -30.031 28.313 1.00 0.00 H new ATOM 848 N THR A 54 43.584 -24.476 23.616 1.00 0.00 N ATOM 849 CA THR A 54 42.301 -23.825 23.863 1.00 0.00 C ATOM 850 C THR A 54 41.384 -24.812 24.599 1.00 0.00 C ATOM 851 O THR A 54 41.439 -26.027 24.311 1.00 0.00 O ATOM 852 CB THR A 54 41.632 -23.367 22.531 1.00 0.00 C ATOM 853 OG1 THR A 54 41.242 -24.508 21.761 1.00 0.00 O ATOM 854 CG2 THR A 54 42.583 -22.503 21.693 1.00 0.00 C ATOM 0 H THR A 54 43.740 -24.719 22.638 1.00 0.00 H new ATOM 0 HA THR A 54 42.466 -22.936 24.471 1.00 0.00 H new ATOM 0 HB THR A 54 40.757 -22.772 22.791 1.00 0.00 H new ATOM 0 HG1 THR A 54 42.026 -25.071 21.590 1.00 0.00 H new ATOM 0 HG21 THR A 54 42.084 -22.201 20.772 1.00 0.00 H new ATOM 0 HG22 THR A 54 42.864 -21.616 22.261 1.00 0.00 H new ATOM 0 HG23 THR A 54 43.477 -23.077 21.450 1.00 0.00 H new ATOM 862 N GLN A 55 40.539 -24.273 25.509 1.00 0.00 N ATOM 863 CA GLN A 55 39.639 -25.053 26.397 1.00 0.00 C ATOM 864 C GLN A 55 38.582 -25.854 25.604 1.00 0.00 C ATOM 865 O GLN A 55 38.022 -26.827 26.120 1.00 0.00 O ATOM 866 CB GLN A 55 38.943 -24.091 27.401 1.00 0.00 C ATOM 867 CG GLN A 55 39.920 -23.293 28.295 1.00 0.00 C ATOM 868 CD GLN A 55 39.214 -22.280 29.204 1.00 0.00 C ATOM 869 OE1 GLN A 55 39.019 -21.122 28.832 1.00 0.00 O ATOM 870 NE2 GLN A 55 38.821 -22.700 30.395 1.00 0.00 N ATOM 0 H GLN A 55 40.461 -23.266 25.651 1.00 0.00 H new ATOM 0 HA GLN A 55 40.249 -25.778 26.936 1.00 0.00 H new ATOM 0 HB2 GLN A 55 38.322 -23.389 26.844 1.00 0.00 H new ATOM 0 HB3 GLN A 55 38.275 -24.670 28.039 1.00 0.00 H new ATOM 0 HG2 GLN A 55 40.490 -23.989 28.911 1.00 0.00 H new ATOM 0 HG3 GLN A 55 40.635 -22.767 27.662 1.00 0.00 H new ATOM 0 HE21 GLN A 55 38.995 -23.664 30.679 1.00 0.00 H new ATOM 0 HE22 GLN A 55 38.344 -22.060 31.030 1.00 0.00 H new ATOM 879 N ALA A 56 38.330 -25.434 24.346 1.00 0.00 N ATOM 880 CA ALA A 56 37.469 -26.165 23.391 1.00 0.00 C ATOM 881 C ALA A 56 38.070 -27.544 23.014 1.00 0.00 C ATOM 882 O ALA A 56 37.376 -28.408 22.466 1.00 0.00 O ATOM 883 CB ALA A 56 37.260 -25.314 22.130 1.00 0.00 C ATOM 0 H ALA A 56 38.720 -24.573 23.962 1.00 0.00 H new ATOM 0 HA ALA A 56 36.509 -26.348 23.873 1.00 0.00 H new ATOM 0 HB1 ALA A 56 36.625 -25.854 21.428 1.00 0.00 H new ATOM 0 HB2 ALA A 56 36.782 -24.373 22.401 1.00 0.00 H new ATOM 0 HB3 ALA A 56 38.224 -25.110 21.665 1.00 0.00 H new ATOM 889 N GLY A 57 39.366 -27.714 23.320 1.00 0.00 N ATOM 890 CA GLY A 57 40.120 -28.940 23.059 1.00 0.00 C ATOM 891 C GLY A 57 40.891 -28.864 21.759 1.00 0.00 C ATOM 892 O GLY A 57 41.008 -29.860 21.037 1.00 0.00 O ATOM 0 H GLY A 57 39.926 -26.986 23.764 1.00 0.00 H new ATOM 0 HA2 GLY A 57 40.812 -29.122 23.881 1.00 0.00 H new ATOM 0 HA3 GLY A 57 39.435 -29.787 23.025 1.00 0.00 H new ATOM 896 N LYS A 58 41.445 -27.671 21.463 1.00 0.00 N ATOM 897 CA LYS A 58 42.113 -27.408 20.154 1.00 0.00 C ATOM 898 C LYS A 58 43.522 -26.846 20.349 1.00 0.00 C ATOM 899 O LYS A 58 43.854 -26.331 21.419 1.00 0.00 O ATOM 900 CB LYS A 58 41.284 -26.427 19.281 1.00 0.00 C ATOM 901 CG LYS A 58 39.808 -26.825 19.060 1.00 0.00 C ATOM 902 CD LYS A 58 39.030 -25.767 18.240 1.00 0.00 C ATOM 903 CE LYS A 58 39.020 -24.375 18.902 1.00 0.00 C ATOM 904 NZ LYS A 58 38.250 -23.385 18.099 1.00 0.00 N ATOM 0 H LYS A 58 41.448 -26.875 22.101 1.00 0.00 H new ATOM 0 HA LYS A 58 42.183 -28.366 19.639 1.00 0.00 H new ATOM 0 HB2 LYS A 58 41.312 -25.441 19.746 1.00 0.00 H new ATOM 0 HB3 LYS A 58 41.768 -26.335 18.309 1.00 0.00 H new ATOM 0 HG2 LYS A 58 39.766 -27.784 18.544 1.00 0.00 H new ATOM 0 HG3 LYS A 58 39.322 -26.962 20.026 1.00 0.00 H new ATOM 0 HD2 LYS A 58 39.474 -25.687 17.248 1.00 0.00 H new ATOM 0 HD3 LYS A 58 38.003 -26.105 18.104 1.00 0.00 H new ATOM 0 HE2 LYS A 58 38.586 -24.450 19.899 1.00 0.00 H new ATOM 0 HE3 LYS A 58 40.045 -24.024 19.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 38.267 -22.462 18.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 38.679 -23.294 17.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 37.266 -23.707 18.002 1.00 0.00 H new ATOM 918 N LEU A 59 44.332 -26.942 19.281 1.00 0.00 N ATOM 919 CA LEU A 59 45.706 -26.412 19.239 1.00 0.00 C ATOM 920 C LEU A 59 45.780 -25.207 18.292 1.00 0.00 C ATOM 921 O LEU A 59 45.345 -25.273 17.134 1.00 0.00 O ATOM 922 CB LEU A 59 46.721 -27.507 18.812 1.00 0.00 C ATOM 923 CG LEU A 59 47.044 -28.588 19.889 1.00 0.00 C ATOM 924 CD1 LEU A 59 48.049 -29.620 19.350 1.00 0.00 C ATOM 925 CD2 LEU A 59 47.553 -27.944 21.202 1.00 0.00 C ATOM 0 H LEU A 59 44.048 -27.395 18.412 1.00 0.00 H new ATOM 0 HA LEU A 59 45.975 -26.087 20.244 1.00 0.00 H new ATOM 0 HB2 LEU A 59 46.334 -28.009 17.925 1.00 0.00 H new ATOM 0 HB3 LEU A 59 47.652 -27.020 18.522 1.00 0.00 H new ATOM 0 HG LEU A 59 46.117 -29.112 20.120 1.00 0.00 H new ATOM 0 HD11 LEU A 59 48.257 -30.362 20.121 1.00 0.00 H new ATOM 0 HD12 LEU A 59 47.629 -30.114 18.474 1.00 0.00 H new ATOM 0 HD13 LEU A 59 48.975 -29.116 19.073 1.00 0.00 H new ATOM 0 HD21 LEU A 59 47.769 -28.725 21.931 1.00 0.00 H new ATOM 0 HD22 LEU A 59 48.461 -27.375 21.000 1.00 0.00 H new ATOM 0 HD23 LEU A 59 46.788 -27.277 21.600 1.00 0.00 H new ATOM 937 N LEU A 60 46.310 -24.099 18.825 1.00 0.00 N ATOM 938 CA LEU A 60 46.535 -22.841 18.094 1.00 0.00 C ATOM 939 C LEU A 60 48.043 -22.564 18.038 1.00 0.00 C ATOM 940 O LEU A 60 48.676 -22.362 19.082 1.00 0.00 O ATOM 941 CB LEU A 60 45.766 -21.661 18.780 1.00 0.00 C ATOM 942 CG LEU A 60 44.367 -21.295 18.178 1.00 0.00 C ATOM 943 CD1 LEU A 60 43.405 -22.499 18.168 1.00 0.00 C ATOM 944 CD2 LEU A 60 43.748 -20.099 18.926 1.00 0.00 C ATOM 0 H LEU A 60 46.602 -24.049 19.801 1.00 0.00 H new ATOM 0 HA LEU A 60 46.151 -22.931 17.078 1.00 0.00 H new ATOM 0 HB2 LEU A 60 45.630 -21.909 19.833 1.00 0.00 H new ATOM 0 HB3 LEU A 60 46.397 -20.773 18.740 1.00 0.00 H new ATOM 0 HG LEU A 60 44.527 -21.008 17.139 1.00 0.00 H new ATOM 0 HD11 LEU A 60 42.448 -22.197 17.742 1.00 0.00 H new ATOM 0 HD12 LEU A 60 43.833 -23.301 17.567 1.00 0.00 H new ATOM 0 HD13 LEU A 60 43.253 -22.852 19.188 1.00 0.00 H new ATOM 0 HD21 LEU A 60 42.777 -19.861 18.492 1.00 0.00 H new ATOM 0 HD22 LEU A 60 43.623 -20.353 19.978 1.00 0.00 H new ATOM 0 HD23 LEU A 60 44.406 -19.235 18.838 1.00 0.00 H new ATOM 956 N LEU A 61 48.612 -22.590 16.823 1.00 0.00 N ATOM 957 CA LEU A 61 50.051 -22.374 16.601 1.00 0.00 C ATOM 958 C LEU A 61 50.255 -20.938 16.081 1.00 0.00 C ATOM 959 O LEU A 61 50.001 -20.649 14.902 1.00 0.00 O ATOM 960 CB LEU A 61 50.612 -23.441 15.602 1.00 0.00 C ATOM 961 CG LEU A 61 52.172 -23.685 15.578 1.00 0.00 C ATOM 962 CD1 LEU A 61 52.976 -22.498 14.993 1.00 0.00 C ATOM 963 CD2 LEU A 61 52.686 -24.055 16.984 1.00 0.00 C ATOM 0 H LEU A 61 48.087 -22.762 15.965 1.00 0.00 H new ATOM 0 HA LEU A 61 50.602 -22.491 17.534 1.00 0.00 H new ATOM 0 HB2 LEU A 61 50.128 -24.392 15.823 1.00 0.00 H new ATOM 0 HB3 LEU A 61 50.303 -23.153 14.597 1.00 0.00 H new ATOM 0 HG LEU A 61 52.339 -24.524 14.902 1.00 0.00 H new ATOM 0 HD11 LEU A 61 54.040 -22.736 15.008 1.00 0.00 H new ATOM 0 HD12 LEU A 61 52.660 -22.315 13.966 1.00 0.00 H new ATOM 0 HD13 LEU A 61 52.796 -21.606 15.593 1.00 0.00 H new ATOM 0 HD21 LEU A 61 53.763 -24.219 16.946 1.00 0.00 H new ATOM 0 HD22 LEU A 61 52.467 -23.243 17.677 1.00 0.00 H new ATOM 0 HD23 LEU A 61 52.192 -24.965 17.324 1.00 0.00 H new ATOM 975 N THR A 62 50.658 -20.049 16.985 1.00 0.00 N ATOM 976 CA THR A 62 51.077 -18.676 16.673 1.00 0.00 C ATOM 977 C THR A 62 52.611 -18.582 16.793 1.00 0.00 C ATOM 978 O THR A 62 53.223 -19.358 17.529 1.00 0.00 O ATOM 979 CB THR A 62 50.384 -17.658 17.642 1.00 0.00 C ATOM 980 OG1 THR A 62 50.645 -18.018 19.009 1.00 0.00 O ATOM 981 CG2 THR A 62 48.861 -17.604 17.425 1.00 0.00 C ATOM 0 H THR A 62 50.705 -20.264 17.981 1.00 0.00 H new ATOM 0 HA THR A 62 50.777 -18.425 15.655 1.00 0.00 H new ATOM 0 HB THR A 62 50.800 -16.674 17.424 1.00 0.00 H new ATOM 0 HG1 THR A 62 50.499 -17.239 19.586 1.00 0.00 H new ATOM 0 HG21 THR A 62 48.420 -16.886 18.117 1.00 0.00 H new ATOM 0 HG22 THR A 62 48.650 -17.297 16.401 1.00 0.00 H new ATOM 0 HG23 THR A 62 48.433 -18.590 17.604 1.00 0.00 H new ATOM 989 N LYS A 63 53.223 -17.652 16.047 1.00 0.00 N ATOM 990 CA LYS A 63 54.680 -17.413 16.090 1.00 0.00 C ATOM 991 C LYS A 63 55.052 -16.630 17.380 1.00 0.00 C ATOM 992 O LYS A 63 54.834 -15.399 17.426 1.00 0.00 O ATOM 993 CB LYS A 63 55.141 -16.657 14.807 1.00 0.00 C ATOM 994 CG LYS A 63 54.909 -17.422 13.485 1.00 0.00 C ATOM 995 CD LYS A 63 55.764 -18.712 13.381 1.00 0.00 C ATOM 996 CE LYS A 63 55.536 -19.454 12.051 1.00 0.00 C ATOM 997 NZ LYS A 63 56.428 -20.637 11.902 1.00 0.00 N ATOM 998 OXT LYS A 63 55.519 -17.258 18.357 1.00 0.00 O ATOM 0 H LYS A 63 52.727 -17.043 15.396 1.00 0.00 H new ATOM 0 HA LYS A 63 55.202 -18.370 16.116 1.00 0.00 H new ATOM 0 HB2 LYS A 63 54.615 -15.704 14.756 1.00 0.00 H new ATOM 0 HB3 LYS A 63 56.203 -16.431 14.898 1.00 0.00 H new ATOM 0 HG2 LYS A 63 53.854 -17.683 13.401 1.00 0.00 H new ATOM 0 HG3 LYS A 63 55.143 -16.767 12.645 1.00 0.00 H new ATOM 0 HD2 LYS A 63 56.819 -18.455 13.476 1.00 0.00 H new ATOM 0 HD3 LYS A 63 55.521 -19.375 14.211 1.00 0.00 H new ATOM 0 HE2 LYS A 63 54.496 -19.776 11.991 1.00 0.00 H new ATOM 0 HE3 LYS A 63 55.705 -18.768 11.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 56.237 -21.103 10.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 57.421 -20.329 11.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 56.250 -21.306 12.678 1.00 0.00 H new