USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 329 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 37 GLN : amide:sc= 0.489 K(o=-0.64,f=-4.5!) USER MOD Set 1.2: A 40 GLN : amide:sc= 0.796 K(o=-0.64,f=-2.3) USER MOD Set 1.3: A 56 TYR OH : rot 8:sc= 0.199 USER MOD Set 1.4: A 60 MET CE :methyl -154:sc= -2.12 (180deg=-3.93!) USER MOD Single : A 33 ASN : amide:sc=-0.00336 X(o=-0.0034,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 42 ASN : amide:sc= 0.396 X(o=0.4,f=-0.099) USER MOD Single : A 44 THR OG1 : rot 61:sc= 1.24 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.59 K(o=-1.6,f=-4.2!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.347 X(o=-0.35,f=-0.33) USER MOD Single : A 57 GLN : amide:sc= -0.0201 X(o=-0.02,f=-0.027) USER MOD Single : A 58 MET CE :methyl -176:sc= 0 (180deg=-0.026) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 175:sc= 0 (180deg=-0.0271) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 73:sc= 1.04 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 461 N LEU A 32 49.635 -12.497 16.498 1.00 10.00 N ATOM 462 CA LEU A 32 48.934 -12.929 15.283 1.00 10.00 C ATOM 463 C LEU A 32 49.933 -13.203 14.144 1.00 10.00 C ATOM 464 O LEU A 32 49.864 -14.221 13.456 1.00 10.00 O ATOM 465 CB LEU A 32 47.935 -11.816 14.905 1.00 10.00 C ATOM 466 CG LEU A 32 46.666 -12.249 14.147 1.00 10.00 C ATOM 467 CD1 LEU A 32 45.948 -10.989 13.661 1.00 10.00 C ATOM 468 CD2 LEU A 32 46.924 -13.146 12.938 1.00 10.00 C ATOM 0 HA LEU A 32 48.400 -13.863 15.458 1.00 10.00 H new ATOM 0 HB2 LEU A 32 47.628 -11.310 15.820 1.00 10.00 H new ATOM 0 HB3 LEU A 32 48.460 -11.081 14.295 1.00 10.00 H new ATOM 0 HG LEU A 32 46.072 -12.836 14.847 1.00 10.00 H new ATOM 0 HD11 LEU A 32 45.044 -11.271 13.120 1.00 10.00 H new ATOM 0 HD12 LEU A 32 45.680 -10.370 14.517 1.00 10.00 H new ATOM 0 HD13 LEU A 32 46.607 -10.427 12.999 1.00 10.00 H new ATOM 0 HD21 LEU A 32 45.976 -13.402 12.466 1.00 10.00 H new ATOM 0 HD22 LEU A 32 47.556 -12.619 12.222 1.00 10.00 H new ATOM 0 HD23 LEU A 32 47.425 -14.058 13.262 1.00 10.00 H new ATOM 480 N ASN A 33 50.931 -12.328 13.998 1.00 10.00 N ATOM 481 CA ASN A 33 52.041 -12.537 13.061 1.00 10.00 C ATOM 482 C ASN A 33 52.864 -13.791 13.425 1.00 10.00 C ATOM 483 O ASN A 33 53.306 -14.515 12.531 1.00 10.00 O ATOM 484 CB ASN A 33 52.908 -11.262 13.003 1.00 10.00 C ATOM 485 CG ASN A 33 53.734 -11.107 11.728 1.00 10.00 C ATOM 486 OD1 ASN A 33 53.900 -10.010 11.216 1.00 10.00 O ATOM 487 ND2 ASN A 33 54.277 -12.161 11.159 1.00 10.00 N ATOM 0 H ASN A 33 50.994 -11.456 14.524 1.00 10.00 H new ATOM 0 HA ASN A 33 51.638 -12.723 12.065 1.00 10.00 H new ATOM 0 HB2 ASN A 33 52.258 -10.393 13.106 1.00 10.00 H new ATOM 0 HB3 ASN A 33 53.583 -11.259 13.859 1.00 10.00 H new ATOM 0 HD21 ASN A 33 54.825 -12.054 10.306 1.00 10.00 H new ATOM 0 HD22 ASN A 33 54.150 -13.085 11.571 1.00 10.00 H new ATOM 494 N LYS A 34 53.036 -14.080 14.723 1.00 10.00 N ATOM 495 CA LYS A 34 53.679 -15.310 15.219 1.00 10.00 C ATOM 496 C LYS A 34 52.841 -16.566 14.951 1.00 10.00 C ATOM 497 O LYS A 34 53.398 -17.582 14.541 1.00 10.00 O ATOM 498 CB LYS A 34 54.037 -15.144 16.709 1.00 10.00 C ATOM 499 CG LYS A 34 54.925 -16.284 17.233 1.00 10.00 C ATOM 500 CD LYS A 34 55.346 -16.018 18.688 1.00 10.00 C ATOM 501 CE LYS A 34 56.298 -17.092 19.235 1.00 10.00 C ATOM 502 NZ LYS A 34 55.619 -18.396 19.470 1.00 10.00 N ATOM 0 H LYS A 34 52.728 -13.458 15.471 1.00 10.00 H new ATOM 0 HA LYS A 34 54.602 -15.461 14.659 1.00 10.00 H new ATOM 0 HB2 LYS A 34 54.550 -14.193 16.852 1.00 10.00 H new ATOM 0 HB3 LYS A 34 53.120 -15.103 17.297 1.00 10.00 H new ATOM 0 HG2 LYS A 34 54.386 -17.229 17.172 1.00 10.00 H new ATOM 0 HG3 LYS A 34 55.810 -16.381 16.605 1.00 10.00 H new ATOM 0 HD2 LYS A 34 55.830 -15.043 18.749 1.00 10.00 H new ATOM 0 HD3 LYS A 34 54.457 -15.972 19.317 1.00 10.00 H new ATOM 0 HE2 LYS A 34 57.119 -17.236 18.532 1.00 10.00 H new ATOM 0 HE3 LYS A 34 56.736 -16.741 20.170 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 56.306 -19.084 19.839 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 54.852 -18.269 20.161 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 55.223 -18.748 18.575 1.00 10.00 H new ATOM 516 N GLN A 35 51.515 -16.492 15.082 1.00 10.00 N ATOM 517 CA GLN A 35 50.589 -17.562 14.676 1.00 10.00 C ATOM 518 C GLN A 35 50.709 -17.862 13.178 1.00 10.00 C ATOM 519 O GLN A 35 50.726 -19.023 12.772 1.00 10.00 O ATOM 520 CB GLN A 35 49.124 -17.206 14.994 1.00 10.00 C ATOM 521 CG GLN A 35 48.776 -17.172 16.490 1.00 10.00 C ATOM 522 CD GLN A 35 47.312 -16.792 16.720 1.00 10.00 C ATOM 523 OE1 GLN A 35 46.398 -17.302 16.085 1.00 10.00 O ATOM 524 NE2 GLN A 35 47.015 -15.888 17.629 1.00 10.00 N ATOM 0 H GLN A 35 51.044 -15.679 15.478 1.00 10.00 H new ATOM 0 HA GLN A 35 50.871 -18.445 15.250 1.00 10.00 H new ATOM 0 HB2 GLN A 35 48.900 -16.231 14.562 1.00 10.00 H new ATOM 0 HB3 GLN A 35 48.474 -17.929 14.501 1.00 10.00 H new ATOM 0 HG2 GLN A 35 48.973 -18.149 16.932 1.00 10.00 H new ATOM 0 HG3 GLN A 35 49.422 -16.456 16.998 1.00 10.00 H new ATOM 0 HE21 GLN A 35 47.758 -15.448 18.172 1.00 10.00 H new ATOM 0 HE22 GLN A 35 46.042 -15.628 17.791 1.00 10.00 H new ATOM 533 N LEU A 36 50.838 -16.823 12.351 1.00 10.00 N ATOM 534 CA LEU A 36 50.992 -16.981 10.905 1.00 10.00 C ATOM 535 C LEU A 36 52.354 -17.560 10.518 1.00 10.00 C ATOM 536 O LEU A 36 52.412 -18.419 9.642 1.00 10.00 O ATOM 537 CB LEU A 36 50.696 -15.663 10.202 1.00 10.00 C ATOM 538 CG LEU A 36 50.561 -15.867 8.683 1.00 10.00 C ATOM 539 CD1 LEU A 36 49.450 -16.818 8.228 1.00 10.00 C ATOM 540 CD2 LEU A 36 50.219 -14.513 8.103 1.00 10.00 C ATOM 0 H LEU A 36 50.839 -15.852 12.664 1.00 10.00 H new ATOM 0 HA LEU A 36 50.262 -17.716 10.566 1.00 10.00 H new ATOM 0 HB2 LEU A 36 49.776 -15.234 10.598 1.00 10.00 H new ATOM 0 HB3 LEU A 36 51.494 -14.950 10.407 1.00 10.00 H new ATOM 0 HG LEU A 36 51.500 -16.309 8.350 1.00 10.00 H new ATOM 0 HD11 LEU A 36 49.450 -16.884 7.140 1.00 10.00 H new ATOM 0 HD12 LEU A 36 49.622 -17.808 8.651 1.00 10.00 H new ATOM 0 HD13 LEU A 36 48.486 -16.441 8.569 1.00 10.00 H new ATOM 0 HD21 LEU A 36 50.111 -14.597 7.022 1.00 10.00 H new ATOM 0 HD22 LEU A 36 49.283 -14.158 8.535 1.00 10.00 H new ATOM 0 HD23 LEU A 36 51.016 -13.806 8.334 1.00 10.00 H new ATOM 552 N GLN A 37 53.433 -17.167 11.194 1.00 10.00 N ATOM 553 CA GLN A 37 54.744 -17.798 11.004 1.00 10.00 C ATOM 554 C GLN A 37 54.772 -19.251 11.501 1.00 10.00 C ATOM 555 O GLN A 37 55.424 -20.091 10.884 1.00 10.00 O ATOM 556 CB GLN A 37 55.839 -16.976 11.706 1.00 10.00 C ATOM 557 CG GLN A 37 56.182 -15.662 10.984 1.00 10.00 C ATOM 558 CD GLN A 37 57.082 -15.847 9.758 1.00 10.00 C ATOM 559 OE1 GLN A 37 57.077 -16.862 9.070 1.00 10.00 O ATOM 560 NE2 GLN A 37 57.904 -14.871 9.432 1.00 10.00 N ATOM 0 H GLN A 37 53.428 -16.413 11.881 1.00 10.00 H new ATOM 0 HA GLN A 37 54.937 -17.820 9.931 1.00 10.00 H new ATOM 0 HB2 GLN A 37 55.516 -16.749 12.722 1.00 10.00 H new ATOM 0 HB3 GLN A 37 56.741 -17.582 11.787 1.00 10.00 H new ATOM 0 HG2 GLN A 37 55.257 -15.176 10.674 1.00 10.00 H new ATOM 0 HG3 GLN A 37 56.675 -14.990 11.687 1.00 10.00 H new ATOM 0 HE21 GLN A 37 57.927 -14.016 9.988 1.00 10.00 H new ATOM 0 HE22 GLN A 37 58.517 -14.970 8.623 1.00 10.00 H new ATOM 569 N ASP A 38 54.029 -19.584 12.560 1.00 10.00 N ATOM 570 CA ASP A 38 53.822 -20.979 12.972 1.00 10.00 C ATOM 571 C ASP A 38 53.067 -21.761 11.890 1.00 10.00 C ATOM 572 O ASP A 38 53.500 -22.847 11.508 1.00 10.00 O ATOM 573 CB ASP A 38 53.102 -21.061 14.325 1.00 10.00 C ATOM 574 CG ASP A 38 53.040 -22.515 14.831 1.00 10.00 C ATOM 575 OD1 ASP A 38 53.981 -22.942 15.541 1.00 10.00 O ATOM 576 OD2 ASP A 38 52.053 -23.229 14.529 1.00 10.00 O ATOM 0 H ASP A 38 53.557 -18.902 13.153 1.00 10.00 H new ATOM 0 HA ASP A 38 54.802 -21.440 13.097 1.00 10.00 H new ATOM 0 HB2 ASP A 38 53.621 -20.440 15.055 1.00 10.00 H new ATOM 0 HB3 ASP A 38 52.092 -20.663 14.228 1.00 10.00 H new ATOM 581 N ALA A 39 52.016 -21.169 11.307 1.00 10.00 N ATOM 582 CA ALA A 39 51.312 -21.756 10.168 1.00 10.00 C ATOM 583 C ALA A 39 52.257 -21.987 8.993 1.00 10.00 C ATOM 584 O ALA A 39 52.274 -23.072 8.422 1.00 10.00 O ATOM 585 CB ALA A 39 50.113 -20.900 9.721 1.00 10.00 C ATOM 0 H ALA A 39 51.634 -20.274 11.613 1.00 10.00 H new ATOM 0 HA ALA A 39 50.927 -22.719 10.504 1.00 10.00 H new ATOM 0 HB1 ALA A 39 49.622 -21.377 8.873 1.00 10.00 H new ATOM 0 HB2 ALA A 39 49.405 -20.807 10.545 1.00 10.00 H new ATOM 0 HB3 ALA A 39 50.462 -19.910 9.429 1.00 10.00 H new ATOM 591 N GLN A 40 53.083 -20.990 8.682 1.00 10.00 N ATOM 592 CA GLN A 40 54.053 -21.009 7.592 1.00 10.00 C ATOM 593 C GLN A 40 55.183 -22.010 7.829 1.00 10.00 C ATOM 594 O GLN A 40 55.740 -22.506 6.859 1.00 10.00 O ATOM 595 CB GLN A 40 54.614 -19.582 7.415 1.00 10.00 C ATOM 596 CG GLN A 40 55.328 -19.400 6.065 1.00 10.00 C ATOM 597 CD GLN A 40 55.436 -17.937 5.633 1.00 10.00 C ATOM 598 OE1 GLN A 40 54.920 -17.535 4.597 1.00 10.00 O ATOM 599 NE2 GLN A 40 56.087 -17.074 6.384 1.00 10.00 N ATOM 0 H GLN A 40 53.094 -20.113 9.203 1.00 10.00 H new ATOM 0 HA GLN A 40 53.547 -21.335 6.683 1.00 10.00 H new ATOM 0 HB2 GLN A 40 53.800 -18.861 7.493 1.00 10.00 H new ATOM 0 HB3 GLN A 40 55.311 -19.365 8.225 1.00 10.00 H new ATOM 0 HG2 GLN A 40 56.328 -19.828 6.130 1.00 10.00 H new ATOM 0 HG3 GLN A 40 54.791 -19.960 5.299 1.00 10.00 H new ATOM 0 HE21 GLN A 40 56.526 -17.382 7.252 1.00 10.00 H new ATOM 0 HE22 GLN A 40 56.153 -16.097 6.098 1.00 10.00 H new ATOM 608 N ALA A 41 55.533 -22.334 9.076 1.00 10.00 N ATOM 609 CA ALA A 41 56.443 -23.433 9.417 1.00 10.00 C ATOM 610 C ALA A 41 55.792 -24.818 9.411 1.00 10.00 C ATOM 611 O ALA A 41 56.418 -25.765 8.938 1.00 10.00 O ATOM 612 CB ALA A 41 57.159 -23.129 10.726 1.00 10.00 C ATOM 0 H ALA A 41 55.186 -21.831 9.893 1.00 10.00 H new ATOM 0 HA ALA A 41 57.181 -23.489 8.617 1.00 10.00 H new ATOM 0 HB1 ALA A 41 57.832 -23.950 10.972 1.00 10.00 H new ATOM 0 HB2 ALA A 41 57.733 -22.208 10.622 1.00 10.00 H new ATOM 0 HB3 ALA A 41 56.425 -23.011 11.523 1.00 10.00 H new ATOM 618 N ASN A 42 54.532 -24.958 9.834 1.00 10.00 N ATOM 619 CA ASN A 42 53.796 -26.212 9.638 1.00 10.00 C ATOM 620 C ASN A 42 53.632 -26.462 8.130 1.00 10.00 C ATOM 621 O ASN A 42 53.745 -27.593 7.656 1.00 10.00 O ATOM 622 CB ASN A 42 52.449 -26.196 10.392 1.00 10.00 C ATOM 623 CG ASN A 42 52.570 -25.831 11.870 1.00 10.00 C ATOM 624 OD1 ASN A 42 53.535 -26.160 12.548 1.00 10.00 O ATOM 625 ND2 ASN A 42 51.588 -25.150 12.416 1.00 10.00 N ATOM 0 H ASN A 42 54.004 -24.227 10.310 1.00 10.00 H new ATOM 0 HA ASN A 42 54.361 -27.042 10.062 1.00 10.00 H new ATOM 0 HB2 ASN A 42 51.781 -25.485 9.906 1.00 10.00 H new ATOM 0 HB3 ASN A 42 51.985 -27.179 10.308 1.00 10.00 H new ATOM 0 HD21 ASN A 42 51.630 -24.896 13.403 1.00 10.00 H new ATOM 0 HD22 ASN A 42 50.783 -24.875 11.853 1.00 10.00 H new ATOM 632 N LEU A 43 53.466 -25.376 7.365 1.00 10.00 N ATOM 633 CA LEU A 43 53.514 -25.366 5.923 1.00 10.00 C ATOM 634 C LEU A 43 54.933 -25.563 5.394 1.00 10.00 C ATOM 635 O LEU A 43 55.112 -26.253 4.415 1.00 10.00 O ATOM 636 CB LEU A 43 52.876 -24.060 5.402 1.00 10.00 C ATOM 637 CG LEU A 43 52.260 -24.260 4.029 1.00 10.00 C ATOM 638 CD1 LEU A 43 51.042 -25.151 4.199 1.00 10.00 C ATOM 639 CD2 LEU A 43 51.767 -22.982 3.376 1.00 10.00 C ATOM 0 H LEU A 43 53.289 -24.453 7.761 1.00 10.00 H new ATOM 0 HA LEU A 43 52.939 -26.212 5.547 1.00 10.00 H new ATOM 0 HB2 LEU A 43 52.111 -23.722 6.101 1.00 10.00 H new ATOM 0 HB3 LEU A 43 53.632 -23.277 5.354 1.00 10.00 H new ATOM 0 HG LEU A 43 53.041 -24.679 3.394 1.00 10.00 H new ATOM 0 HD11 LEU A 43 50.573 -25.316 3.229 1.00 10.00 H new ATOM 0 HD12 LEU A 43 51.348 -26.108 4.622 1.00 10.00 H new ATOM 0 HD13 LEU A 43 50.330 -24.669 4.869 1.00 10.00 H new ATOM 0 HD21 LEU A 43 51.342 -23.213 2.399 1.00 10.00 H new ATOM 0 HD22 LEU A 43 51.004 -22.523 4.005 1.00 10.00 H new ATOM 0 HD23 LEU A 43 52.601 -22.291 3.254 1.00 10.00 H new ATOM 651 N THR A 44 55.978 -25.067 6.041 1.00 10.00 N ATOM 652 CA THR A 44 57.355 -25.304 5.573 1.00 10.00 C ATOM 653 C THR A 44 57.706 -26.791 5.633 1.00 10.00 C ATOM 654 O THR A 44 58.362 -27.324 4.735 1.00 10.00 O ATOM 655 CB THR A 44 58.390 -24.506 6.369 1.00 10.00 C ATOM 656 OG1 THR A 44 58.284 -23.129 6.084 1.00 10.00 O ATOM 657 CG2 THR A 44 59.801 -24.938 6.008 1.00 10.00 C ATOM 0 H THR A 44 55.910 -24.501 6.887 1.00 10.00 H new ATOM 0 HA THR A 44 57.389 -24.962 4.539 1.00 10.00 H new ATOM 0 HB THR A 44 58.195 -24.694 7.425 1.00 10.00 H new ATOM 0 HG1 THR A 44 57.390 -22.812 6.331 1.00 10.00 H new ATOM 0 HG21 THR A 44 60.519 -24.357 6.587 1.00 10.00 H new ATOM 0 HG22 THR A 44 59.926 -25.997 6.233 1.00 10.00 H new ATOM 0 HG23 THR A 44 59.972 -24.771 4.945 1.00 10.00 H new ATOM 665 N LYS A 45 57.244 -27.471 6.686 1.00 10.00 N ATOM 666 CA LYS A 45 57.393 -28.922 6.851 1.00 10.00 C ATOM 667 C LYS A 45 56.708 -29.724 5.739 1.00 10.00 C ATOM 668 O LYS A 45 57.221 -30.775 5.347 1.00 10.00 O ATOM 669 CB LYS A 45 56.881 -29.317 8.241 1.00 10.00 C ATOM 670 CG LYS A 45 57.801 -28.843 9.379 1.00 10.00 C ATOM 671 CD LYS A 45 57.257 -29.178 10.776 1.00 10.00 C ATOM 672 CE LYS A 45 57.193 -30.691 11.035 1.00 10.00 C ATOM 673 NZ LYS A 45 56.731 -30.988 12.416 1.00 10.00 N ATOM 0 H LYS A 45 56.749 -27.025 7.458 1.00 10.00 H new ATOM 0 HA LYS A 45 58.451 -29.171 6.769 1.00 10.00 H new ATOM 0 HB2 LYS A 45 55.886 -28.898 8.388 1.00 10.00 H new ATOM 0 HB3 LYS A 45 56.781 -30.401 8.290 1.00 10.00 H new ATOM 0 HG2 LYS A 45 58.783 -29.301 9.259 1.00 10.00 H new ATOM 0 HG3 LYS A 45 57.941 -27.765 9.299 1.00 10.00 H new ATOM 0 HD2 LYS A 45 57.889 -28.710 11.530 1.00 10.00 H new ATOM 0 HD3 LYS A 45 56.260 -28.751 10.886 1.00 10.00 H new ATOM 0 HE2 LYS A 45 56.518 -31.156 10.316 1.00 10.00 H new ATOM 0 HE3 LYS A 45 58.178 -31.130 10.877 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 56.699 -32.018 12.557 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 57.389 -30.565 13.101 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 55.781 -30.590 12.557 1.00 10.00 H new ATOM 687 N ASN A 46 55.602 -29.217 5.191 1.00 10.00 N ATOM 688 CA ASN A 46 54.931 -29.737 4.012 1.00 10.00 C ATOM 689 C ASN A 46 54.176 -28.633 3.232 1.00 10.00 C ATOM 690 O ASN A 46 53.018 -28.350 3.555 1.00 10.00 O ATOM 691 CB ASN A 46 54.066 -30.911 4.454 1.00 10.00 C ATOM 692 CG ASN A 46 53.541 -31.721 3.271 1.00 10.00 C ATOM 693 OD1 ASN A 46 53.397 -31.247 2.152 1.00 10.00 O ATOM 694 ND2 ASN A 46 53.286 -32.996 3.464 1.00 10.00 N ATOM 0 H ASN A 46 55.134 -28.397 5.578 1.00 10.00 H new ATOM 0 HA ASN A 46 55.654 -30.103 3.283 1.00 10.00 H new ATOM 0 HB2 ASN A 46 54.647 -31.562 5.108 1.00 10.00 H new ATOM 0 HB3 ASN A 46 53.225 -30.540 5.039 1.00 10.00 H new ATOM 0 HD21 ASN A 46 52.972 -33.577 2.686 1.00 10.00 H new ATOM 0 HD22 ASN A 46 53.402 -33.405 4.391 1.00 10.00 H new ATOM 701 N PRO A 47 54.838 -27.968 2.253 1.00 10.00 N ATOM 702 CA PRO A 47 54.339 -26.764 1.576 1.00 10.00 C ATOM 703 C PRO A 47 52.913 -26.784 1.031 1.00 10.00 C ATOM 704 O PRO A 47 52.308 -25.717 0.921 1.00 10.00 O ATOM 705 CB PRO A 47 55.358 -26.462 0.494 1.00 10.00 C ATOM 706 CG PRO A 47 56.675 -26.883 1.138 1.00 10.00 C ATOM 707 CD PRO A 47 56.281 -28.060 2.030 1.00 10.00 C ATOM 0 HA PRO A 47 54.243 -25.981 2.329 1.00 10.00 H new ATOM 0 HB2 PRO A 47 55.157 -27.024 -0.418 1.00 10.00 H new ATOM 0 HB3 PRO A 47 55.360 -25.406 0.224 1.00 10.00 H new ATOM 0 HG2 PRO A 47 57.411 -27.176 0.390 1.00 10.00 H new ATOM 0 HG3 PRO A 47 57.115 -26.071 1.717 1.00 10.00 H new ATOM 0 HD2 PRO A 47 56.537 -29.006 1.554 1.00 10.00 H new ATOM 0 HD3 PRO A 47 56.820 -28.023 2.977 1.00 10.00 H new ATOM 715 N SER A 48 52.347 -27.957 0.733 1.00 10.00 N ATOM 716 CA SER A 48 50.951 -28.110 0.379 1.00 10.00 C ATOM 717 C SER A 48 50.181 -29.193 1.132 1.00 10.00 C ATOM 718 O SER A 48 49.225 -29.773 0.611 1.00 10.00 O ATOM 719 CB SER A 48 50.864 -28.174 -1.133 1.00 10.00 C ATOM 720 OG SER A 48 51.384 -29.388 -1.660 1.00 10.00 O ATOM 0 H SER A 48 52.863 -28.837 0.734 1.00 10.00 H new ATOM 0 HA SER A 48 50.405 -27.235 0.732 1.00 10.00 H new ATOM 0 HB2 SER A 48 49.823 -28.066 -1.438 1.00 10.00 H new ATOM 0 HB3 SER A 48 51.410 -27.333 -1.561 1.00 10.00 H new ATOM 0 HG SER A 48 51.304 -29.382 -2.637 1.00 10.00 H new ATOM 726 N ASP A 49 50.594 -29.466 2.373 1.00 10.00 N ATOM 727 CA ASP A 49 49.808 -30.279 3.307 1.00 10.00 C ATOM 728 C ASP A 49 48.483 -29.525 3.503 1.00 10.00 C ATOM 729 O ASP A 49 48.496 -28.340 3.841 1.00 10.00 O ATOM 730 CB ASP A 49 50.582 -30.522 4.611 1.00 10.00 C ATOM 731 CG ASP A 49 49.740 -31.084 5.776 1.00 10.00 C ATOM 732 OD1 ASP A 49 48.708 -30.482 6.153 1.00 10.00 O ATOM 733 OD2 ASP A 49 50.115 -32.151 6.318 1.00 10.00 O ATOM 0 H ASP A 49 51.478 -29.132 2.758 1.00 10.00 H new ATOM 0 HA ASP A 49 49.607 -31.279 2.924 1.00 10.00 H new ATOM 0 HB2 ASP A 49 51.399 -31.214 4.407 1.00 10.00 H new ATOM 0 HB3 ASP A 49 51.032 -29.582 4.929 1.00 10.00 H new ATOM 738 N PRO A 50 47.328 -30.157 3.262 1.00 10.00 N ATOM 739 CA PRO A 50 46.066 -29.444 3.192 1.00 10.00 C ATOM 740 C PRO A 50 45.558 -28.875 4.511 1.00 10.00 C ATOM 741 O PRO A 50 44.865 -27.866 4.482 1.00 10.00 O ATOM 742 CB PRO A 50 45.088 -30.438 2.601 1.00 10.00 C ATOM 743 CG PRO A 50 45.653 -31.809 2.980 1.00 10.00 C ATOM 744 CD PRO A 50 47.160 -31.572 3.003 1.00 10.00 C ATOM 0 HA PRO A 50 46.193 -28.547 2.585 1.00 10.00 H new ATOM 0 HB2 PRO A 50 44.086 -30.297 3.006 1.00 10.00 H new ATOM 0 HB3 PRO A 50 45.013 -30.325 1.519 1.00 10.00 H new ATOM 0 HG2 PRO A 50 45.283 -32.143 3.950 1.00 10.00 H new ATOM 0 HG3 PRO A 50 45.377 -32.573 2.253 1.00 10.00 H new ATOM 0 HD2 PRO A 50 47.639 -32.172 3.777 1.00 10.00 H new ATOM 0 HD3 PRO A 50 47.616 -31.853 2.054 1.00 10.00 H new ATOM 752 N THR A 51 45.902 -29.458 5.658 1.00 10.00 N ATOM 753 CA THR A 51 45.607 -28.873 6.977 1.00 10.00 C ATOM 754 C THR A 51 46.580 -27.756 7.306 1.00 10.00 C ATOM 755 O THR A 51 46.145 -26.722 7.791 1.00 10.00 O ATOM 756 CB THR A 51 45.682 -29.958 8.045 1.00 10.00 C ATOM 757 OG1 THR A 51 44.541 -30.789 7.976 1.00 10.00 O ATOM 758 CG2 THR A 51 45.796 -29.425 9.470 1.00 10.00 C ATOM 0 H THR A 51 46.394 -30.350 5.706 1.00 10.00 H new ATOM 0 HA THR A 51 44.602 -28.452 6.952 1.00 10.00 H new ATOM 0 HB THR A 51 46.596 -30.511 7.829 1.00 10.00 H new ATOM 0 HG1 THR A 51 44.600 -31.483 8.665 1.00 10.00 H new ATOM 0 HG21 THR A 51 45.844 -30.261 10.168 1.00 10.00 H new ATOM 0 HG22 THR A 51 46.700 -28.823 9.562 1.00 10.00 H new ATOM 0 HG23 THR A 51 44.926 -28.810 9.699 1.00 10.00 H new ATOM 766 N ALA A 52 47.869 -27.904 7.011 1.00 10.00 N ATOM 767 CA ALA A 52 48.837 -26.815 7.099 1.00 10.00 C ATOM 768 C ALA A 52 48.422 -25.616 6.253 1.00 10.00 C ATOM 769 O ALA A 52 48.520 -24.474 6.699 1.00 10.00 O ATOM 770 CB ALA A 52 50.198 -27.385 6.667 1.00 10.00 C ATOM 0 H ALA A 52 48.273 -28.788 6.702 1.00 10.00 H new ATOM 0 HA ALA A 52 48.894 -26.438 8.120 1.00 10.00 H new ATOM 0 HB1 ALA A 52 50.954 -26.601 6.718 1.00 10.00 H new ATOM 0 HB2 ALA A 52 50.478 -28.202 7.332 1.00 10.00 H new ATOM 0 HB3 ALA A 52 50.129 -27.756 5.644 1.00 10.00 H new ATOM 776 N LEU A 53 47.918 -25.878 5.054 1.00 10.00 N ATOM 777 CA LEU A 53 47.523 -24.859 4.098 1.00 10.00 C ATOM 778 C LEU A 53 46.148 -24.284 4.443 1.00 10.00 C ATOM 779 O LEU A 53 45.955 -23.078 4.347 1.00 10.00 O ATOM 780 CB LEU A 53 47.635 -25.508 2.714 1.00 10.00 C ATOM 781 CG LEU A 53 47.741 -24.596 1.482 1.00 10.00 C ATOM 782 CD1 LEU A 53 48.267 -23.200 1.766 1.00 10.00 C ATOM 783 CD2 LEU A 53 48.749 -25.250 0.542 1.00 10.00 C ATOM 0 H LEU A 53 47.770 -26.828 4.714 1.00 10.00 H new ATOM 0 HA LEU A 53 48.171 -23.983 4.120 1.00 10.00 H new ATOM 0 HB2 LEU A 53 48.511 -26.157 2.722 1.00 10.00 H new ATOM 0 HB3 LEU A 53 46.764 -26.149 2.577 1.00 10.00 H new ATOM 0 HG LEU A 53 46.733 -24.485 1.082 1.00 10.00 H new ATOM 0 HD11 LEU A 53 48.307 -22.630 0.838 1.00 10.00 H new ATOM 0 HD12 LEU A 53 47.605 -22.698 2.472 1.00 10.00 H new ATOM 0 HD13 LEU A 53 49.268 -23.268 2.193 1.00 10.00 H new ATOM 0 HD21 LEU A 53 48.861 -24.639 -0.353 1.00 10.00 H new ATOM 0 HD22 LEU A 53 49.712 -25.337 1.045 1.00 10.00 H new ATOM 0 HD23 LEU A 53 48.395 -26.242 0.262 1.00 10.00 H new ATOM 795 N ALA A 54 45.228 -25.106 4.953 1.00 10.00 N ATOM 796 CA ALA A 54 43.967 -24.655 5.536 1.00 10.00 C ATOM 797 C ALA A 54 44.217 -23.752 6.751 1.00 10.00 C ATOM 798 O ALA A 54 43.582 -22.708 6.902 1.00 10.00 O ATOM 799 CB ALA A 54 43.150 -25.889 5.956 1.00 10.00 C ATOM 0 H ALA A 54 45.342 -26.119 4.972 1.00 10.00 H new ATOM 0 HA ALA A 54 43.416 -24.074 4.796 1.00 10.00 H new ATOM 0 HB1 ALA A 54 42.205 -25.568 6.394 1.00 10.00 H new ATOM 0 HB2 ALA A 54 42.953 -26.510 5.082 1.00 10.00 H new ATOM 0 HB3 ALA A 54 43.713 -26.465 6.691 1.00 10.00 H new ATOM 805 N ASN A 55 45.181 -24.132 7.591 1.00 10.00 N ATOM 806 CA ASN A 55 45.587 -23.412 8.787 1.00 10.00 C ATOM 807 C ASN A 55 46.205 -22.059 8.427 1.00 10.00 C ATOM 808 O ASN A 55 45.738 -21.016 8.874 1.00 10.00 O ATOM 809 CB ASN A 55 46.580 -24.308 9.544 1.00 10.00 C ATOM 810 CG ASN A 55 47.234 -23.673 10.740 1.00 10.00 C ATOM 811 OD1 ASN A 55 46.602 -23.326 11.724 1.00 10.00 O ATOM 812 ND2 ASN A 55 48.538 -23.535 10.679 1.00 10.00 N ATOM 0 H ASN A 55 45.719 -24.986 7.446 1.00 10.00 H new ATOM 0 HA ASN A 55 44.726 -23.195 9.419 1.00 10.00 H new ATOM 0 HB2 ASN A 55 46.057 -25.207 9.871 1.00 10.00 H new ATOM 0 HB3 ASN A 55 47.359 -24.626 8.851 1.00 10.00 H new ATOM 0 HD21 ASN A 55 49.045 -23.130 11.466 1.00 10.00 H new ATOM 0 HD22 ASN A 55 49.044 -23.833 9.845 1.00 10.00 H new ATOM 819 N TYR A 56 47.213 -22.083 7.556 1.00 10.00 N ATOM 820 CA TYR A 56 47.811 -20.882 6.960 1.00 10.00 C ATOM 821 C TYR A 56 46.780 -19.982 6.287 1.00 10.00 C ATOM 822 O TYR A 56 46.765 -18.798 6.583 1.00 10.00 O ATOM 823 CB TYR A 56 48.941 -21.337 6.027 1.00 10.00 C ATOM 824 CG TYR A 56 49.723 -20.318 5.222 1.00 10.00 C ATOM 825 CD1 TYR A 56 50.836 -19.678 5.804 1.00 10.00 C ATOM 826 CD2 TYR A 56 49.486 -20.191 3.839 1.00 10.00 C ATOM 827 CE1 TYR A 56 51.736 -18.957 4.999 1.00 10.00 C ATOM 828 CE2 TYR A 56 50.394 -19.481 3.028 1.00 10.00 C ATOM 829 CZ TYR A 56 51.539 -18.887 3.602 1.00 10.00 C ATOM 830 OH TYR A 56 52.441 -18.242 2.813 1.00 10.00 O ATOM 0 H TYR A 56 47.646 -22.950 7.238 1.00 10.00 H new ATOM 0 HA TYR A 56 48.231 -20.247 7.739 1.00 10.00 H new ATOM 0 HB2 TYR A 56 49.659 -21.889 6.634 1.00 10.00 H new ATOM 0 HB3 TYR A 56 48.510 -22.046 5.320 1.00 10.00 H new ATOM 0 HD1 TYR A 56 50.998 -19.741 6.870 1.00 10.00 H new ATOM 0 HD2 TYR A 56 48.607 -20.639 3.399 1.00 10.00 H new ATOM 0 HE1 TYR A 56 52.580 -18.456 5.450 1.00 10.00 H new ATOM 0 HE2 TYR A 56 50.214 -19.391 1.967 1.00 10.00 H new ATOM 0 HH TYR A 56 53.223 -17.992 3.348 1.00 10.00 H new ATOM 840 N GLN A 57 45.843 -20.510 5.501 1.00 10.00 N ATOM 841 CA GLN A 57 44.782 -19.699 4.887 1.00 10.00 C ATOM 842 C GLN A 57 43.833 -19.076 5.928 1.00 10.00 C ATOM 843 O GLN A 57 43.476 -17.904 5.813 1.00 10.00 O ATOM 844 CB GLN A 57 43.987 -20.528 3.863 1.00 10.00 C ATOM 845 CG GLN A 57 44.736 -20.718 2.534 1.00 10.00 C ATOM 846 CD GLN A 57 44.766 -19.443 1.691 1.00 10.00 C ATOM 847 OE1 GLN A 57 45.708 -18.663 1.720 1.00 10.00 O ATOM 848 NE2 GLN A 57 43.737 -19.173 0.913 1.00 10.00 N ATOM 0 H GLN A 57 45.794 -21.502 5.271 1.00 10.00 H new ATOM 0 HA GLN A 57 45.276 -18.875 4.373 1.00 10.00 H new ATOM 0 HB2 GLN A 57 43.763 -21.505 4.290 1.00 10.00 H new ATOM 0 HB3 GLN A 57 43.033 -20.038 3.669 1.00 10.00 H new ATOM 0 HG2 GLN A 57 45.758 -21.038 2.739 1.00 10.00 H new ATOM 0 HG3 GLN A 57 44.260 -21.516 1.963 1.00 10.00 H new ATOM 0 HE21 GLN A 57 42.943 -19.813 0.877 1.00 10.00 H new ATOM 0 HE22 GLN A 57 43.734 -18.324 0.347 1.00 10.00 H new ATOM 857 N MET A 58 43.456 -19.826 6.968 1.00 10.00 N ATOM 858 CA MET A 58 42.578 -19.363 8.050 1.00 10.00 C ATOM 859 C MET A 58 43.231 -18.269 8.898 1.00 10.00 C ATOM 860 O MET A 58 42.622 -17.228 9.158 1.00 10.00 O ATOM 861 CB MET A 58 42.169 -20.593 8.884 1.00 10.00 C ATOM 862 CG MET A 58 41.301 -20.298 10.112 1.00 10.00 C ATOM 863 SD MET A 58 42.167 -19.749 11.615 1.00 10.00 S ATOM 864 CE MET A 58 42.940 -21.305 12.147 1.00 10.00 C ATOM 0 H MET A 58 43.759 -20.793 7.085 1.00 10.00 H new ATOM 0 HA MET A 58 41.687 -18.896 7.630 1.00 10.00 H new ATOM 0 HB2 MET A 58 41.630 -21.286 8.238 1.00 10.00 H new ATOM 0 HB3 MET A 58 43.074 -21.104 9.214 1.00 10.00 H new ATOM 0 HG2 MET A 58 40.575 -19.532 9.839 1.00 10.00 H new ATOM 0 HG3 MET A 58 40.738 -21.199 10.354 1.00 10.00 H new ATOM 0 HE1 MET A 58 43.451 -21.151 13.098 1.00 10.00 H new ATOM 0 HE2 MET A 58 42.173 -22.070 12.267 1.00 10.00 H new ATOM 0 HE3 MET A 58 43.661 -21.628 11.396 1.00 10.00 H new ATOM 874 N ILE A 59 44.496 -18.456 9.274 1.00 10.00 N ATOM 875 CA ILE A 59 45.263 -17.486 10.038 1.00 10.00 C ATOM 876 C ILE A 59 45.608 -16.283 9.162 1.00 10.00 C ATOM 877 O ILE A 59 45.569 -15.157 9.643 1.00 10.00 O ATOM 878 CB ILE A 59 46.502 -18.201 10.599 1.00 10.00 C ATOM 879 CG1 ILE A 59 46.099 -19.286 11.623 1.00 10.00 C ATOM 880 CG2 ILE A 59 47.463 -17.241 11.292 1.00 10.00 C ATOM 881 CD1 ILE A 59 47.270 -20.188 12.000 1.00 10.00 C ATOM 0 H ILE A 59 45.021 -19.302 9.050 1.00 10.00 H new ATOM 0 HA ILE A 59 44.687 -17.092 10.876 1.00 10.00 H new ATOM 0 HB ILE A 59 47.001 -18.650 9.740 1.00 10.00 H new ATOM 0 HG12 ILE A 59 45.708 -18.808 12.521 1.00 10.00 H new ATOM 0 HG13 ILE A 59 45.294 -19.893 11.208 1.00 10.00 H new ATOM 0 HG21 ILE A 59 48.321 -17.796 11.671 1.00 10.00 H new ATOM 0 HG22 ILE A 59 47.802 -16.489 10.580 1.00 10.00 H new ATOM 0 HG23 ILE A 59 46.953 -16.751 12.122 1.00 10.00 H new ATOM 0 HD11 ILE A 59 46.937 -20.934 12.722 1.00 10.00 H new ATOM 0 HD12 ILE A 59 47.646 -20.689 11.108 1.00 10.00 H new ATOM 0 HD13 ILE A 59 48.065 -19.587 12.441 1.00 10.00 H new ATOM 893 N MET A 60 45.885 -16.482 7.870 1.00 10.00 N ATOM 894 CA MET A 60 46.163 -15.390 6.938 1.00 10.00 C ATOM 895 C MET A 60 44.936 -14.518 6.662 1.00 10.00 C ATOM 896 O MET A 60 45.066 -13.303 6.533 1.00 10.00 O ATOM 897 CB MET A 60 46.761 -15.918 5.636 1.00 10.00 C ATOM 898 CG MET A 60 47.525 -14.804 4.926 1.00 10.00 C ATOM 899 SD MET A 60 48.500 -15.362 3.509 1.00 10.00 S ATOM 900 CE MET A 60 49.749 -16.279 4.444 1.00 10.00 C ATOM 0 H MET A 60 45.922 -17.407 7.442 1.00 10.00 H new ATOM 0 HA MET A 60 46.899 -14.749 7.423 1.00 10.00 H new ATOM 0 HB2 MET A 60 47.429 -16.753 5.845 1.00 10.00 H new ATOM 0 HB3 MET A 60 45.970 -16.297 4.990 1.00 10.00 H new ATOM 0 HG2 MET A 60 46.815 -14.049 4.590 1.00 10.00 H new ATOM 0 HG3 MET A 60 48.189 -14.320 5.642 1.00 10.00 H new ATOM 0 HE1 MET A 60 50.675 -16.320 3.871 1.00 10.00 H new ATOM 0 HE2 MET A 60 49.933 -15.778 5.394 1.00 10.00 H new ATOM 0 HE3 MET A 60 49.393 -17.292 4.631 1.00 10.00 H new ATOM 910 N SER A 61 43.741 -15.115 6.637 1.00 10.00 N ATOM 911 CA SER A 61 42.463 -14.395 6.592 1.00 10.00 C ATOM 912 C SER A 61 42.321 -13.442 7.791 1.00 10.00 C ATOM 913 O SER A 61 42.015 -12.259 7.621 1.00 10.00 O ATOM 914 CB SER A 61 41.312 -15.410 6.533 1.00 10.00 C ATOM 915 OG SER A 61 40.069 -14.747 6.368 1.00 10.00 O ATOM 0 H SER A 61 43.632 -16.129 6.648 1.00 10.00 H new ATOM 0 HA SER A 61 42.429 -13.777 5.695 1.00 10.00 H new ATOM 0 HB2 SER A 61 41.473 -16.103 5.707 1.00 10.00 H new ATOM 0 HB3 SER A 61 41.295 -16.003 7.448 1.00 10.00 H new ATOM 0 HG SER A 61 39.347 -15.409 6.331 1.00 10.00 H new ATOM 921 N GLU A 62 42.642 -13.917 9.000 1.00 10.00 N ATOM 922 CA GLU A 62 42.651 -13.100 10.221 1.00 10.00 C ATOM 923 C GLU A 62 43.787 -12.057 10.243 1.00 10.00 C ATOM 924 O GLU A 62 43.560 -10.890 10.567 1.00 10.00 O ATOM 925 CB GLU A 62 42.700 -14.040 11.442 1.00 10.00 C ATOM 926 CG GLU A 62 42.398 -13.293 12.747 1.00 10.00 C ATOM 927 CD GLU A 62 42.187 -14.276 13.915 1.00 10.00 C ATOM 928 OE1 GLU A 62 43.180 -14.668 14.574 1.00 10.00 O ATOM 929 OE2 GLU A 62 41.021 -14.653 14.191 1.00 10.00 O ATOM 0 H GLU A 62 42.906 -14.889 9.161 1.00 10.00 H new ATOM 0 HA GLU A 62 41.734 -12.511 10.251 1.00 10.00 H new ATOM 0 HB2 GLU A 62 41.979 -14.846 11.309 1.00 10.00 H new ATOM 0 HB3 GLU A 62 43.686 -14.501 11.507 1.00 10.00 H new ATOM 0 HG2 GLU A 62 43.220 -12.617 12.981 1.00 10.00 H new ATOM 0 HG3 GLU A 62 41.507 -12.679 12.620 1.00 10.00 H new ATOM 936 N TYR A 63 44.993 -12.448 9.828 1.00 10.00 N ATOM 937 CA TYR A 63 46.172 -11.582 9.711 1.00 10.00 C ATOM 938 C TYR A 63 45.925 -10.397 8.778 1.00 10.00 C ATOM 939 O TYR A 63 46.204 -9.247 9.124 1.00 10.00 O ATOM 940 CB TYR A 63 47.357 -12.431 9.219 1.00 10.00 C ATOM 941 CG TYR A 63 48.595 -11.676 8.781 1.00 10.00 C ATOM 942 CD1 TYR A 63 49.550 -11.257 9.726 1.00 10.00 C ATOM 943 CD2 TYR A 63 48.837 -11.501 7.402 1.00 10.00 C ATOM 944 CE1 TYR A 63 50.763 -10.691 9.288 1.00 10.00 C ATOM 945 CE2 TYR A 63 50.052 -10.946 6.963 1.00 10.00 C ATOM 946 CZ TYR A 63 51.026 -10.552 7.908 1.00 10.00 C ATOM 947 OH TYR A 63 52.207 -10.017 7.494 1.00 10.00 O ATOM 0 H TYR A 63 45.185 -13.412 9.554 1.00 10.00 H new ATOM 0 HA TYR A 63 46.396 -11.160 10.691 1.00 10.00 H new ATOM 0 HB2 TYR A 63 47.640 -13.116 10.018 1.00 10.00 H new ATOM 0 HB3 TYR A 63 47.016 -13.041 8.382 1.00 10.00 H new ATOM 0 HD1 TYR A 63 49.354 -11.369 10.782 1.00 10.00 H new ATOM 0 HD2 TYR A 63 48.087 -11.794 6.682 1.00 10.00 H new ATOM 0 HE1 TYR A 63 51.495 -10.362 10.011 1.00 10.00 H new ATOM 0 HE2 TYR A 63 50.240 -10.821 5.907 1.00 10.00 H new ATOM 0 HH TYR A 63 52.230 -9.993 6.515 1.00 10.00 H new ATOM 957 N ASN A 64 45.355 -10.674 7.605 1.00 10.00 N ATOM 958 CA ASN A 64 45.070 -9.666 6.594 1.00 10.00 C ATOM 959 C ASN A 64 44.008 -8.661 7.084 1.00 10.00 C ATOM 960 O ASN A 64 44.159 -7.456 6.889 1.00 10.00 O ATOM 961 CB ASN A 64 44.641 -10.369 5.297 1.00 10.00 C ATOM 962 CG ASN A 64 44.336 -9.379 4.184 1.00 10.00 C ATOM 963 OD1 ASN A 64 43.202 -8.971 3.976 1.00 10.00 O ATOM 964 ND2 ASN A 64 45.332 -8.952 3.440 1.00 10.00 N ATOM 0 H ASN A 64 45.077 -11.616 7.331 1.00 10.00 H new ATOM 0 HA ASN A 64 45.971 -9.085 6.398 1.00 10.00 H new ATOM 0 HB2 ASN A 64 45.432 -11.046 4.973 1.00 10.00 H new ATOM 0 HB3 ASN A 64 43.759 -10.979 5.491 1.00 10.00 H new ATOM 0 HD21 ASN A 64 45.158 -8.282 2.691 1.00 10.00 H new ATOM 0 HD22 ASN A 64 46.279 -9.291 3.612 1.00 10.00 H new ATOM 1108 N VAL A 74 48.155 4.433 10.008 1.00 10.00 N ATOM 1109 CA VAL A 74 49.088 5.038 9.054 1.00 10.00 C ATOM 1110 C VAL A 74 48.497 6.291 8.388 1.00 10.00 C ATOM 1111 O VAL A 74 49.227 7.252 8.136 1.00 10.00 O ATOM 1112 CB VAL A 74 49.509 3.985 8.008 1.00 10.00 C ATOM 1113 CG1 VAL A 74 50.623 4.525 7.124 1.00 10.00 C ATOM 1114 CG2 VAL A 74 50.041 2.694 8.656 1.00 10.00 C ATOM 0 HA VAL A 74 49.973 5.369 9.598 1.00 10.00 H new ATOM 0 HB VAL A 74 48.611 3.763 7.431 1.00 10.00 H new ATOM 0 HG11 VAL A 74 50.906 3.768 6.393 1.00 10.00 H new ATOM 0 HG12 VAL A 74 50.275 5.418 6.605 1.00 10.00 H new ATOM 0 HG13 VAL A 74 51.487 4.776 7.740 1.00 10.00 H new ATOM 0 HG21 VAL A 74 50.324 1.986 7.877 1.00 10.00 H new ATOM 0 HG22 VAL A 74 50.912 2.927 9.268 1.00 10.00 H new ATOM 0 HG23 VAL A 74 49.264 2.254 9.282 1.00 10.00 H new ATOM 1124 N LYS A 75 47.166 6.348 8.212 1.00 10.00 N ATOM 1125 CA LYS A 75 46.418 7.553 7.782 1.00 10.00 C ATOM 1126 C LYS A 75 46.619 8.784 8.688 1.00 10.00 C ATOM 1127 O LYS A 75 46.335 9.904 8.260 1.00 10.00 O ATOM 1128 CB LYS A 75 44.915 7.239 7.662 1.00 10.00 C ATOM 1129 CG LYS A 75 44.593 6.192 6.581 1.00 10.00 C ATOM 1130 CD LYS A 75 43.087 5.908 6.461 1.00 10.00 C ATOM 1131 CE LYS A 75 42.306 7.121 5.932 1.00 10.00 C ATOM 1132 NZ LYS A 75 40.855 6.825 5.802 1.00 10.00 N ATOM 0 H LYS A 75 46.561 5.541 8.367 1.00 10.00 H new ATOM 0 HA LYS A 75 46.832 7.819 6.809 1.00 10.00 H new ATOM 0 HB2 LYS A 75 44.548 6.881 8.624 1.00 10.00 H new ATOM 0 HB3 LYS A 75 44.376 8.159 7.438 1.00 10.00 H new ATOM 0 HG2 LYS A 75 44.971 6.540 5.620 1.00 10.00 H new ATOM 0 HG3 LYS A 75 45.116 5.264 6.812 1.00 10.00 H new ATOM 0 HD2 LYS A 75 42.931 5.060 5.795 1.00 10.00 H new ATOM 0 HD3 LYS A 75 42.694 5.623 7.437 1.00 10.00 H new ATOM 0 HE2 LYS A 75 42.446 7.966 6.606 1.00 10.00 H new ATOM 0 HE3 LYS A 75 42.706 7.417 4.962 1.00 10.00 H new ATOM 0 HZ1 LYS A 75 40.360 7.666 5.443 1.00 10.00 H new ATOM 0 HZ2 LYS A 75 40.720 6.034 5.140 1.00 10.00 H new ATOM 0 HZ3 LYS A 75 40.469 6.567 6.732 1.00 10.00 H new ATOM 1146 N SER A 76 47.145 8.591 9.901 1.00 10.00 N ATOM 1147 CA SER A 76 47.418 9.633 10.904 1.00 10.00 C ATOM 1148 C SER A 76 48.911 9.750 11.257 1.00 10.00 C ATOM 1149 O SER A 76 49.263 10.450 12.205 1.00 10.00 O ATOM 1150 CB SER A 76 46.587 9.371 12.169 1.00 10.00 C ATOM 1151 OG SER A 76 45.198 9.352 11.864 1.00 10.00 O ATOM 0 H SER A 76 47.406 7.661 10.229 1.00 10.00 H new ATOM 0 HA SER A 76 47.128 10.587 10.463 1.00 10.00 H new ATOM 0 HB2 SER A 76 46.880 8.419 12.612 1.00 10.00 H new ATOM 0 HB3 SER A 76 46.791 10.144 12.910 1.00 10.00 H new ATOM 0 HG SER A 76 44.686 9.182 12.682 1.00 10.00 H new ATOM 1157 N MET A 77 49.815 9.111 10.501 1.00 10.00 N ATOM 1158 CA MET A 77 51.268 9.143 10.751 1.00 10.00 C ATOM 1159 C MET A 77 51.839 10.571 10.835 1.00 10.00 C ATOM 1160 O MET A 77 52.700 10.841 11.670 1.00 10.00 O ATOM 1161 CB MET A 77 51.981 8.320 9.664 1.00 10.00 C ATOM 1162 CG MET A 77 53.495 8.187 9.882 1.00 10.00 C ATOM 1163 SD MET A 77 54.024 7.402 11.432 1.00 10.00 S ATOM 1164 CE MET A 77 53.445 5.704 11.152 1.00 10.00 C ATOM 0 H MET A 77 49.558 8.550 9.689 1.00 10.00 H new ATOM 0 HA MET A 77 51.448 8.701 11.731 1.00 10.00 H new ATOM 0 HB2 MET A 77 51.540 7.324 9.627 1.00 10.00 H new ATOM 0 HB3 MET A 77 51.802 8.784 8.694 1.00 10.00 H new ATOM 0 HG2 MET A 77 53.911 7.617 9.051 1.00 10.00 H new ATOM 0 HG3 MET A 77 53.935 9.183 9.836 1.00 10.00 H new ATOM 0 HE1 MET A 77 53.770 5.068 11.975 1.00 10.00 H new ATOM 0 HE2 MET A 77 52.357 5.695 11.095 1.00 10.00 H new ATOM 0 HE3 MET A 77 53.860 5.328 10.217 1.00 10.00 H new ATOM 1174 N LYS A 78 51.328 11.512 10.028 1.00 10.00 N ATOM 1175 CA LYS A 78 51.731 12.932 10.069 1.00 10.00 C ATOM 1176 C LYS A 78 51.344 13.651 11.370 1.00 10.00 C ATOM 1177 O LYS A 78 52.048 14.571 11.787 1.00 10.00 O ATOM 1178 CB LYS A 78 51.169 13.679 8.847 1.00 10.00 C ATOM 1179 CG LYS A 78 51.739 13.210 7.494 1.00 10.00 C ATOM 1180 CD LYS A 78 53.263 13.401 7.374 1.00 10.00 C ATOM 1181 CE LYS A 78 53.755 13.292 5.924 1.00 10.00 C ATOM 1182 NZ LYS A 78 53.617 11.919 5.371 1.00 10.00 N ATOM 0 H LYS A 78 50.619 11.312 9.323 1.00 10.00 H new ATOM 0 HA LYS A 78 52.821 12.942 10.038 1.00 10.00 H new ATOM 0 HB2 LYS A 78 50.086 13.561 8.831 1.00 10.00 H new ATOM 0 HB3 LYS A 78 51.372 14.744 8.963 1.00 10.00 H new ATOM 0 HG2 LYS A 78 51.500 12.156 7.353 1.00 10.00 H new ATOM 0 HG3 LYS A 78 51.247 13.759 6.691 1.00 10.00 H new ATOM 0 HD2 LYS A 78 53.537 14.377 7.775 1.00 10.00 H new ATOM 0 HD3 LYS A 78 53.769 12.653 7.984 1.00 10.00 H new ATOM 0 HE2 LYS A 78 53.193 13.988 5.301 1.00 10.00 H new ATOM 0 HE3 LYS A 78 54.801 13.595 5.876 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 53.964 11.903 4.391 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 54.174 11.255 5.946 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 52.616 11.637 5.389 1.00 10.00 H new ATOM 1196 N ASP A 79 50.280 13.225 12.051 1.00 10.00 N ATOM 1197 CA ASP A 79 49.921 13.735 13.384 1.00 10.00 C ATOM 1198 C ASP A 79 50.902 13.241 14.466 1.00 10.00 C ATOM 1199 O ASP A 79 51.257 14.000 15.369 1.00 10.00 O ATOM 1200 CB ASP A 79 48.480 13.331 13.722 1.00 10.00 C ATOM 1201 CG ASP A 79 47.992 13.980 15.028 1.00 10.00 C ATOM 1202 OD1 ASP A 79 47.720 15.204 15.031 1.00 10.00 O ATOM 1203 OD2 ASP A 79 47.850 13.262 16.048 1.00 10.00 O ATOM 0 H ASP A 79 49.638 12.515 11.697 1.00 10.00 H new ATOM 0 HA ASP A 79 49.990 14.823 13.365 1.00 10.00 H new ATOM 0 HB2 ASP A 79 47.821 13.621 12.904 1.00 10.00 H new ATOM 0 HB3 ASP A 79 48.419 12.246 13.811 1.00 10.00 H new ATOM 1208 N ILE A 80 51.402 12.004 14.339 1.00 10.00 N ATOM 1209 CA ILE A 80 52.461 11.451 15.202 1.00 10.00 C ATOM 1210 C ILE A 80 53.817 12.122 14.919 1.00 10.00 C ATOM 1211 O ILE A 80 54.557 12.461 15.843 1.00 10.00 O ATOM 1212 CB ILE A 80 52.557 9.914 15.043 1.00 10.00 C ATOM 1213 CG1 ILE A 80 51.201 9.179 15.185 1.00 10.00 C ATOM 1214 CG2 ILE A 80 53.568 9.333 16.046 1.00 10.00 C ATOM 1215 CD1 ILE A 80 50.459 9.410 16.508 1.00 10.00 C ATOM 0 H ILE A 80 51.080 11.349 13.626 1.00 10.00 H new ATOM 0 HA ILE A 80 52.195 11.666 16.237 1.00 10.00 H new ATOM 0 HB ILE A 80 52.895 9.744 14.021 1.00 10.00 H new ATOM 0 HG12 ILE A 80 50.552 9.489 14.366 1.00 10.00 H new ATOM 0 HG13 ILE A 80 51.374 8.109 15.067 1.00 10.00 H new ATOM 0 HG21 ILE A 80 53.624 8.252 15.921 1.00 10.00 H new ATOM 0 HG22 ILE A 80 54.550 9.770 15.867 1.00 10.00 H new ATOM 0 HG23 ILE A 80 53.247 9.565 17.062 1.00 10.00 H new ATOM 0 HD11 ILE A 80 49.524 8.851 16.503 1.00 10.00 H new ATOM 0 HD12 ILE A 80 51.080 9.071 17.337 1.00 10.00 H new ATOM 0 HD13 ILE A 80 50.246 10.473 16.625 1.00 10.00 H new ATOM 1227 N ASP A 81 54.126 12.374 13.647 1.00 10.00 N ATOM 1228 CA ASP A 81 55.320 13.109 13.207 1.00 10.00 C ATOM 1229 C ASP A 81 55.350 14.561 13.722 1.00 10.00 C ATOM 1230 O ASP A 81 56.406 15.075 14.090 1.00 10.00 O ATOM 1231 CB ASP A 81 55.383 13.079 11.674 1.00 10.00 C ATOM 1232 CG ASP A 81 56.647 13.760 11.134 1.00 10.00 C ATOM 1233 OD1 ASP A 81 57.744 13.171 11.265 1.00 10.00 O ATOM 1234 OD2 ASP A 81 56.542 14.862 10.545 1.00 10.00 O ATOM 0 H ASP A 81 53.540 12.066 12.871 1.00 10.00 H new ATOM 0 HA ASP A 81 56.195 12.617 13.632 1.00 10.00 H new ATOM 0 HB2 ASP A 81 55.354 12.045 11.331 1.00 10.00 H new ATOM 0 HB3 ASP A 81 54.502 13.575 11.266 1.00 10.00 H new ATOM 1239 N SER A 82 54.183 15.208 13.815 1.00 10.00 N ATOM 1240 CA SER A 82 54.028 16.572 14.351 1.00 10.00 C ATOM 1241 C SER A 82 54.407 16.709 15.837 1.00 10.00 C ATOM 1242 O SER A 82 54.680 17.820 16.295 1.00 10.00 O ATOM 1243 CB SER A 82 52.596 17.082 14.140 1.00 10.00 C ATOM 1244 OG SER A 82 52.291 17.200 12.758 1.00 10.00 O ATOM 0 H SER A 82 53.301 14.793 13.515 1.00 10.00 H new ATOM 0 HA SER A 82 54.733 17.183 13.788 1.00 10.00 H new ATOM 0 HB2 SER A 82 51.891 16.399 14.614 1.00 10.00 H new ATOM 0 HB3 SER A 82 52.477 18.051 14.625 1.00 10.00 H new ATOM 0 HG SER A 82 52.181 16.307 12.370 1.00 10.00 H new ATOM 1250 N SER A 83 54.490 15.606 16.591 1.00 10.00 N ATOM 1251 CA SER A 83 54.954 15.572 17.992 1.00 10.00 C ATOM 1252 C SER A 83 56.483 15.703 18.155 1.00 10.00 C ATOM 1253 O SER A 83 56.993 15.493 19.254 1.00 10.00 O ATOM 1254 CB SER A 83 54.471 14.285 18.682 1.00 10.00 C ATOM 1255 OG SER A 83 53.058 14.150 18.597 1.00 10.00 O ATOM 0 H SER A 83 54.230 14.685 16.238 1.00 10.00 H new ATOM 0 HA SER A 83 54.517 16.450 18.468 1.00 10.00 H new ATOM 0 HB2 SER A 83 54.949 13.421 18.220 1.00 10.00 H new ATOM 0 HB3 SER A 83 54.775 14.295 19.729 1.00 10.00 H new ATOM 0 HG SER A 83 52.781 13.322 19.043 1.00 10.00 H new