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 56 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 60 MET CE :methyl -163:sc= -1.77 (180deg=-3.63!) USER MOD Set 2.1: A 33 ASN : amide:sc= 0.859 K(o=1.8,f=-0.21) USER MOD Set 2.2: A 37 GLN : amide:sc= 0.991 K(o=1.8,f=-0.015) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.0645 X(o=-0.064,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 42 ASN : amide:sc= 0.965 K(o=0.96,f=0) USER MOD Single : A 44 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= 1.04 (180deg=0.756) USER MOD Single : A 46 ASN : amide:sc= -1.3 K(o=-1.3,f=-4!) 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= -0.522 X(o=-0.52,f=-0.35) USER MOD Single : A 57 GLN : amide:sc= -0.0324 X(o=-0.032,f=-0.39) USER MOD Single : A 58 MET CE :methyl 174:sc= 0 (180deg=-0.0214) USER MOD Single : A 61 SER OG : rot 75:sc= 0.993 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 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 88:sc= 0.757 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 461 N LEU A 32 49.888 -12.338 16.673 1.00 10.00 N ATOM 462 CA LEU A 32 49.201 -12.850 15.482 1.00 10.00 C ATOM 463 C LEU A 32 50.221 -13.243 14.404 1.00 10.00 C ATOM 464 O LEU A 32 50.093 -14.275 13.749 1.00 10.00 O ATOM 465 CB LEU A 32 48.262 -11.727 14.982 1.00 10.00 C ATOM 466 CG LEU A 32 46.969 -12.162 14.266 1.00 10.00 C ATOM 467 CD1 LEU A 32 46.258 -10.914 13.732 1.00 10.00 C ATOM 468 CD2 LEU A 32 47.208 -13.119 13.101 1.00 10.00 C ATOM 0 HA LEU A 32 48.626 -13.746 15.716 1.00 10.00 H new ATOM 0 HB2 LEU A 32 47.984 -11.112 15.838 1.00 10.00 H new ATOM 0 HB3 LEU A 32 48.828 -11.090 14.302 1.00 10.00 H new ATOM 0 HG LEU A 32 46.365 -12.695 15.000 1.00 10.00 H new ATOM 0 HD11 LEU A 32 45.340 -11.208 13.222 1.00 10.00 H new ATOM 0 HD12 LEU A 32 46.016 -10.250 14.562 1.00 10.00 H new ATOM 0 HD13 LEU A 32 46.912 -10.395 13.031 1.00 10.00 H new ATOM 0 HD21 LEU A 32 46.254 -13.382 12.645 1.00 10.00 H new ATOM 0 HD22 LEU A 32 47.844 -12.637 12.359 1.00 10.00 H new ATOM 0 HD23 LEU A 32 47.697 -14.022 13.466 1.00 10.00 H new ATOM 480 N ASN A 33 51.291 -12.459 14.267 1.00 10.00 N ATOM 481 CA ASN A 33 52.378 -12.775 13.335 1.00 10.00 C ATOM 482 C ASN A 33 53.100 -14.085 13.709 1.00 10.00 C ATOM 483 O ASN A 33 53.417 -14.887 12.836 1.00 10.00 O ATOM 484 CB ASN A 33 53.340 -11.585 13.244 1.00 10.00 C ATOM 485 CG ASN A 33 54.385 -11.807 12.165 1.00 10.00 C ATOM 486 OD1 ASN A 33 55.492 -12.254 12.424 1.00 10.00 O ATOM 487 ND2 ASN A 33 54.065 -11.540 10.920 1.00 10.00 N ATOM 0 H ASN A 33 51.430 -11.596 14.792 1.00 10.00 H new ATOM 0 HA ASN A 33 51.950 -12.947 12.347 1.00 10.00 H new ATOM 0 HB2 ASN A 33 52.779 -10.676 13.029 1.00 10.00 H new ATOM 0 HB3 ASN A 33 53.832 -11.437 14.205 1.00 10.00 H new ATOM 0 HD21 ASN A 33 54.740 -11.706 10.173 1.00 10.00 H new ATOM 0 HD22 ASN A 33 53.142 -11.167 10.700 1.00 10.00 H new ATOM 494 N LYS A 34 53.280 -14.346 15.008 1.00 10.00 N ATOM 495 CA LYS A 34 53.792 -15.604 15.578 1.00 10.00 C ATOM 496 C LYS A 34 52.875 -16.791 15.277 1.00 10.00 C ATOM 497 O LYS A 34 53.362 -17.853 14.897 1.00 10.00 O ATOM 498 CB LYS A 34 54.047 -15.366 17.081 1.00 10.00 C ATOM 499 CG LYS A 34 54.270 -16.606 17.972 1.00 10.00 C ATOM 500 CD LYS A 34 53.007 -17.121 18.695 1.00 10.00 C ATOM 501 CE LYS A 34 52.418 -16.052 19.631 1.00 10.00 C ATOM 502 NZ LYS A 34 51.227 -16.525 20.380 1.00 10.00 N ATOM 0 H LYS A 34 53.064 -13.656 15.727 1.00 10.00 H new ATOM 0 HA LYS A 34 54.734 -15.884 15.107 1.00 10.00 H new ATOM 0 HB2 LYS A 34 54.922 -14.722 17.176 1.00 10.00 H new ATOM 0 HB3 LYS A 34 53.198 -14.812 17.482 1.00 10.00 H new ATOM 0 HG2 LYS A 34 54.672 -17.410 17.356 1.00 10.00 H new ATOM 0 HG3 LYS A 34 55.027 -16.367 18.719 1.00 10.00 H new ATOM 0 HD2 LYS A 34 52.259 -17.413 17.958 1.00 10.00 H new ATOM 0 HD3 LYS A 34 53.254 -18.013 19.270 1.00 10.00 H new ATOM 0 HE2 LYS A 34 53.184 -15.737 20.340 1.00 10.00 H new ATOM 0 HE3 LYS A 34 52.146 -15.174 19.045 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 50.876 -15.761 20.993 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 50.482 -16.800 19.709 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 51.487 -17.345 20.964 1.00 10.00 H new ATOM 516 N GLN A 35 51.557 -16.600 15.357 1.00 10.00 N ATOM 517 CA GLN A 35 50.571 -17.610 14.928 1.00 10.00 C ATOM 518 C GLN A 35 50.689 -17.922 13.429 1.00 10.00 C ATOM 519 O GLN A 35 50.627 -19.080 13.019 1.00 10.00 O ATOM 520 CB GLN A 35 49.139 -17.153 15.261 1.00 10.00 C ATOM 521 CG GLN A 35 48.871 -17.144 16.770 1.00 10.00 C ATOM 522 CD GLN A 35 47.591 -16.397 17.131 1.00 10.00 C ATOM 523 OE1 GLN A 35 46.477 -16.860 16.920 1.00 10.00 O ATOM 524 NE2 GLN A 35 47.707 -15.219 17.702 1.00 10.00 N ATOM 0 H GLN A 35 51.137 -15.744 15.720 1.00 10.00 H new ATOM 0 HA GLN A 35 50.788 -18.525 15.479 1.00 10.00 H new ATOM 0 HB2 GLN A 35 48.976 -16.153 14.859 1.00 10.00 H new ATOM 0 HB3 GLN A 35 48.425 -17.815 14.771 1.00 10.00 H new ATOM 0 HG2 GLN A 35 48.803 -18.171 17.130 1.00 10.00 H new ATOM 0 HG3 GLN A 35 49.715 -16.682 17.283 1.00 10.00 H new ATOM 0 HE21 GLN A 35 48.632 -14.828 17.881 1.00 10.00 H new ATOM 0 HE22 GLN A 35 46.872 -14.696 17.967 1.00 10.00 H new ATOM 533 N LEU A 36 50.910 -16.898 12.605 1.00 10.00 N ATOM 534 CA LEU A 36 51.052 -17.044 11.157 1.00 10.00 C ATOM 535 C LEU A 36 52.391 -17.663 10.742 1.00 10.00 C ATOM 536 O LEU A 36 52.411 -18.508 9.852 1.00 10.00 O ATOM 537 CB LEU A 36 50.792 -15.690 10.512 1.00 10.00 C ATOM 538 CG LEU A 36 50.649 -15.786 8.987 1.00 10.00 C ATOM 539 CD1 LEU A 36 49.603 -16.766 8.453 1.00 10.00 C ATOM 540 CD2 LEU A 36 50.208 -14.407 8.531 1.00 10.00 C ATOM 0 H LEU A 36 50.996 -15.934 12.927 1.00 10.00 H new ATOM 0 HA LEU A 36 50.312 -17.759 10.796 1.00 10.00 H new ATOM 0 HB2 LEU A 36 49.884 -15.259 10.933 1.00 10.00 H new ATOM 0 HB3 LEU A 36 51.610 -15.012 10.756 1.00 10.00 H new ATOM 0 HG LEU A 36 51.608 -16.145 8.613 1.00 10.00 H new ATOM 0 HD11 LEU A 36 49.602 -16.739 7.363 1.00 10.00 H new ATOM 0 HD12 LEU A 36 49.843 -17.774 8.790 1.00 10.00 H new ATOM 0 HD13 LEU A 36 48.618 -16.484 8.824 1.00 10.00 H new ATOM 0 HD21 LEU A 36 50.086 -14.404 7.448 1.00 10.00 H new ATOM 0 HD22 LEU A 36 49.259 -14.154 9.004 1.00 10.00 H new ATOM 0 HD23 LEU A 36 50.962 -13.672 8.814 1.00 10.00 H new ATOM 552 N GLN A 37 53.492 -17.328 11.417 1.00 10.00 N ATOM 553 CA GLN A 37 54.773 -18.020 11.238 1.00 10.00 C ATOM 554 C GLN A 37 54.715 -19.477 11.717 1.00 10.00 C ATOM 555 O GLN A 37 55.333 -20.344 11.106 1.00 10.00 O ATOM 556 CB GLN A 37 55.913 -17.283 11.963 1.00 10.00 C ATOM 557 CG GLN A 37 56.323 -15.966 11.282 1.00 10.00 C ATOM 558 CD GLN A 37 57.606 -15.390 11.887 1.00 10.00 C ATOM 559 OE1 GLN A 37 58.641 -16.042 11.966 1.00 10.00 O ATOM 560 NE2 GLN A 37 57.616 -14.152 12.335 1.00 10.00 N ATOM 0 H GLN A 37 53.523 -16.572 12.101 1.00 10.00 H new ATOM 0 HA GLN A 37 54.975 -18.022 10.167 1.00 10.00 H new ATOM 0 HB2 GLN A 37 55.605 -17.073 12.987 1.00 10.00 H new ATOM 0 HB3 GLN A 37 56.781 -17.939 12.019 1.00 10.00 H new ATOM 0 HG2 GLN A 37 56.469 -16.138 10.216 1.00 10.00 H new ATOM 0 HG3 GLN A 37 55.516 -15.239 11.380 1.00 10.00 H new ATOM 0 HE21 GLN A 37 56.770 -13.584 12.283 1.00 10.00 H new ATOM 0 HE22 GLN A 37 58.469 -13.761 12.734 1.00 10.00 H new ATOM 569 N ASP A 38 53.935 -19.784 12.757 1.00 10.00 N ATOM 570 CA ASP A 38 53.647 -21.169 13.155 1.00 10.00 C ATOM 571 C ASP A 38 52.828 -21.911 12.085 1.00 10.00 C ATOM 572 O ASP A 38 53.125 -23.068 11.776 1.00 10.00 O ATOM 573 CB ASP A 38 52.963 -21.201 14.528 1.00 10.00 C ATOM 574 CG ASP A 38 52.752 -22.643 15.016 1.00 10.00 C ATOM 575 OD1 ASP A 38 53.737 -23.282 15.459 1.00 10.00 O ATOM 576 OD2 ASP A 38 51.602 -23.139 14.966 1.00 10.00 O ATOM 0 H ASP A 38 53.486 -19.084 13.347 1.00 10.00 H new ATOM 0 HA ASP A 38 54.594 -21.701 13.242 1.00 10.00 H new ATOM 0 HB2 ASP A 38 53.570 -20.656 15.251 1.00 10.00 H new ATOM 0 HB3 ASP A 38 52.002 -20.691 14.469 1.00 10.00 H new ATOM 581 N ALA A 39 51.874 -21.234 11.435 1.00 10.00 N ATOM 582 CA ALA A 39 51.194 -21.782 10.258 1.00 10.00 C ATOM 583 C ALA A 39 52.190 -22.068 9.135 1.00 10.00 C ATOM 584 O ALA A 39 52.204 -23.162 8.580 1.00 10.00 O ATOM 585 CB ALA A 39 50.070 -20.863 9.741 1.00 10.00 C ATOM 0 H ALA A 39 51.556 -20.304 11.706 1.00 10.00 H new ATOM 0 HA ALA A 39 50.733 -22.717 10.577 1.00 10.00 H new ATOM 0 HB1 ALA A 39 49.601 -21.318 8.869 1.00 10.00 H new ATOM 0 HB2 ALA A 39 49.324 -20.725 10.524 1.00 10.00 H new ATOM 0 HB3 ALA A 39 50.489 -19.896 9.464 1.00 10.00 H new ATOM 591 N GLN A 40 53.060 -21.101 8.852 1.00 10.00 N ATOM 592 CA GLN A 40 54.073 -21.149 7.806 1.00 10.00 C ATOM 593 C GLN A 40 55.157 -22.191 8.085 1.00 10.00 C ATOM 594 O GLN A 40 55.762 -22.669 7.137 1.00 10.00 O ATOM 595 CB GLN A 40 54.694 -19.745 7.676 1.00 10.00 C ATOM 596 CG GLN A 40 55.450 -19.534 6.355 1.00 10.00 C ATOM 597 CD GLN A 40 55.981 -18.107 6.194 1.00 10.00 C ATOM 598 OE1 GLN A 40 56.174 -17.354 7.141 1.00 10.00 O ATOM 599 NE2 GLN A 40 56.237 -17.669 4.978 1.00 10.00 N ATOM 0 H GLN A 40 53.077 -20.223 9.371 1.00 10.00 H new ATOM 0 HA GLN A 40 53.597 -21.450 6.873 1.00 10.00 H new ATOM 0 HB2 GLN A 40 53.905 -18.997 7.758 1.00 10.00 H new ATOM 0 HB3 GLN A 40 55.378 -19.579 8.508 1.00 10.00 H new ATOM 0 HG2 GLN A 40 56.284 -20.234 6.303 1.00 10.00 H new ATOM 0 HG3 GLN A 40 54.787 -19.766 5.522 1.00 10.00 H new ATOM 0 HE21 GLN A 40 56.084 -18.278 4.174 1.00 10.00 H new ATOM 0 HE22 GLN A 40 56.588 -16.721 4.841 1.00 10.00 H new ATOM 608 N ALA A 41 55.424 -22.561 9.339 1.00 10.00 N ATOM 609 CA ALA A 41 56.283 -23.698 9.694 1.00 10.00 C ATOM 610 C ALA A 41 55.596 -25.068 9.605 1.00 10.00 C ATOM 611 O ALA A 41 56.234 -26.019 9.155 1.00 10.00 O ATOM 612 CB ALA A 41 56.947 -23.460 11.042 1.00 10.00 C ATOM 0 H ALA A 41 55.045 -22.073 10.151 1.00 10.00 H new ATOM 0 HA ALA A 41 57.059 -23.748 8.930 1.00 10.00 H new ATOM 0 HB1 ALA A 41 57.580 -24.311 11.291 1.00 10.00 H new ATOM 0 HB2 ALA A 41 57.556 -22.557 10.993 1.00 10.00 H new ATOM 0 HB3 ALA A 41 56.181 -23.341 11.809 1.00 10.00 H new ATOM 618 N ASN A 42 54.309 -25.196 9.954 1.00 10.00 N ATOM 619 CA ASN A 42 53.557 -26.423 9.651 1.00 10.00 C ATOM 620 C ASN A 42 53.426 -26.556 8.123 1.00 10.00 C ATOM 621 O ASN A 42 53.422 -27.663 7.585 1.00 10.00 O ATOM 622 CB ASN A 42 52.180 -26.433 10.343 1.00 10.00 C ATOM 623 CG ASN A 42 52.273 -26.697 11.837 1.00 10.00 C ATOM 624 OD1 ASN A 42 52.208 -27.833 12.287 1.00 10.00 O ATOM 625 ND2 ASN A 42 52.430 -25.683 12.653 1.00 10.00 N ATOM 0 H ASN A 42 53.772 -24.477 10.439 1.00 10.00 H new ATOM 0 HA ASN A 42 54.099 -27.284 10.043 1.00 10.00 H new ATOM 0 HB2 ASN A 42 51.689 -25.474 10.178 1.00 10.00 H new ATOM 0 HB3 ASN A 42 51.553 -27.196 9.882 1.00 10.00 H new ATOM 0 HD21 ASN A 42 52.497 -25.843 13.658 1.00 10.00 H new ATOM 0 HD22 ASN A 42 52.485 -24.734 12.283 1.00 10.00 H new ATOM 632 N LEU A 43 53.398 -25.423 7.416 1.00 10.00 N ATOM 633 CA LEU A 43 53.506 -25.367 5.979 1.00 10.00 C ATOM 634 C LEU A 43 54.933 -25.623 5.508 1.00 10.00 C ATOM 635 O LEU A 43 55.126 -26.339 4.552 1.00 10.00 O ATOM 636 CB LEU A 43 52.950 -24.021 5.475 1.00 10.00 C ATOM 637 CG LEU A 43 52.376 -24.180 4.081 1.00 10.00 C ATOM 638 CD1 LEU A 43 51.115 -25.018 4.193 1.00 10.00 C ATOM 639 CD2 LEU A 43 51.963 -22.873 3.430 1.00 10.00 C ATOM 0 H LEU A 43 53.297 -24.505 7.849 1.00 10.00 H new ATOM 0 HA LEU A 43 52.905 -26.167 5.546 1.00 10.00 H new ATOM 0 HB2 LEU A 43 52.178 -23.661 6.155 1.00 10.00 H new ATOM 0 HB3 LEU A 43 53.742 -23.272 5.467 1.00 10.00 H new ATOM 0 HG LEU A 43 53.160 -24.628 3.470 1.00 10.00 H new ATOM 0 HD11 LEU A 43 50.677 -25.151 3.204 1.00 10.00 H new ATOM 0 HD12 LEU A 43 51.362 -25.993 4.614 1.00 10.00 H new ATOM 0 HD13 LEU A 43 50.399 -24.513 4.842 1.00 10.00 H new ATOM 0 HD21 LEU A 43 51.563 -23.072 2.436 1.00 10.00 H new ATOM 0 HD22 LEU A 43 51.199 -22.389 4.038 1.00 10.00 H new ATOM 0 HD23 LEU A 43 52.830 -22.218 3.347 1.00 10.00 H new ATOM 651 N THR A 44 55.968 -25.163 6.194 1.00 10.00 N ATOM 652 CA THR A 44 57.354 -25.484 5.814 1.00 10.00 C ATOM 653 C THR A 44 57.616 -26.990 5.920 1.00 10.00 C ATOM 654 O THR A 44 58.325 -27.579 5.101 1.00 10.00 O ATOM 655 CB THR A 44 58.373 -24.717 6.662 1.00 10.00 C ATOM 656 OG1 THR A 44 58.309 -23.336 6.382 1.00 10.00 O ATOM 657 CG2 THR A 44 59.790 -25.165 6.357 1.00 10.00 C ATOM 0 H THR A 44 55.885 -24.566 7.017 1.00 10.00 H new ATOM 0 HA THR A 44 57.478 -25.173 4.777 1.00 10.00 H new ATOM 0 HB THR A 44 58.129 -24.917 7.705 1.00 10.00 H new ATOM 0 HG1 THR A 44 57.487 -22.963 6.763 1.00 10.00 H new ATOM 0 HG21 THR A 44 60.490 -24.602 6.974 1.00 10.00 H new ATOM 0 HG22 THR A 44 59.890 -26.229 6.573 1.00 10.00 H new ATOM 0 HG23 THR A 44 60.010 -24.986 5.304 1.00 10.00 H new ATOM 665 N LYS A 45 57.001 -27.619 6.924 1.00 10.00 N ATOM 666 CA LYS A 45 57.003 -29.063 7.169 1.00 10.00 C ATOM 667 C LYS A 45 56.412 -29.855 5.999 1.00 10.00 C ATOM 668 O LYS A 45 56.918 -30.932 5.678 1.00 10.00 O ATOM 669 CB LYS A 45 56.302 -29.268 8.532 1.00 10.00 C ATOM 670 CG LYS A 45 55.913 -30.681 8.985 1.00 10.00 C ATOM 671 CD LYS A 45 54.564 -31.229 8.475 1.00 10.00 C ATOM 672 CE LYS A 45 53.375 -30.572 9.197 1.00 10.00 C ATOM 673 NZ LYS A 45 52.091 -31.274 8.935 1.00 10.00 N ATOM 0 H LYS A 45 56.461 -27.109 7.623 1.00 10.00 H new ATOM 0 HA LYS A 45 58.014 -29.467 7.229 1.00 10.00 H new ATOM 0 HB2 LYS A 45 56.953 -28.849 9.299 1.00 10.00 H new ATOM 0 HB3 LYS A 45 55.392 -28.668 8.523 1.00 10.00 H new ATOM 0 HG2 LYS A 45 56.699 -31.367 8.670 1.00 10.00 H new ATOM 0 HG3 LYS A 45 55.895 -30.695 10.075 1.00 10.00 H new ATOM 0 HD2 LYS A 45 54.481 -31.053 7.403 1.00 10.00 H new ATOM 0 HD3 LYS A 45 54.529 -32.308 8.624 1.00 10.00 H new ATOM 0 HE2 LYS A 45 53.567 -30.561 10.270 1.00 10.00 H new ATOM 0 HE3 LYS A 45 53.289 -29.533 8.878 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 51.414 -31.055 9.694 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 51.703 -30.959 8.023 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 52.256 -32.300 8.904 1.00 10.00 H new ATOM 687 N ASN A 46 55.398 -29.305 5.330 1.00 10.00 N ATOM 688 CA ASN A 46 54.844 -29.791 4.076 1.00 10.00 C ATOM 689 C ASN A 46 54.171 -28.649 3.278 1.00 10.00 C ATOM 690 O ASN A 46 53.011 -28.324 3.553 1.00 10.00 O ATOM 691 CB ASN A 46 53.916 -30.959 4.398 1.00 10.00 C ATOM 692 CG ASN A 46 53.390 -31.665 3.150 1.00 10.00 C ATOM 693 OD1 ASN A 46 53.401 -31.153 2.038 1.00 10.00 O ATOM 694 ND2 ASN A 46 52.954 -32.898 3.283 1.00 10.00 N ATOM 0 H ASN A 46 54.921 -28.469 5.668 1.00 10.00 H new ATOM 0 HA ASN A 46 55.630 -30.155 3.414 1.00 10.00 H new ATOM 0 HB2 ASN A 46 54.449 -31.679 5.019 1.00 10.00 H new ATOM 0 HB3 ASN A 46 53.073 -30.595 4.985 1.00 10.00 H new ATOM 0 HD21 ASN A 46 52.631 -33.416 2.466 1.00 10.00 H new ATOM 0 HD22 ASN A 46 52.939 -33.337 4.203 1.00 10.00 H new ATOM 701 N PRO A 47 54.896 -27.992 2.343 1.00 10.00 N ATOM 702 CA PRO A 47 54.461 -26.763 1.668 1.00 10.00 C ATOM 703 C PRO A 47 53.051 -26.723 1.077 1.00 10.00 C ATOM 704 O PRO A 47 52.490 -25.632 0.970 1.00 10.00 O ATOM 705 CB PRO A 47 55.526 -26.489 0.627 1.00 10.00 C ATOM 706 CG PRO A 47 56.809 -26.975 1.296 1.00 10.00 C ATOM 707 CD PRO A 47 56.347 -28.111 2.210 1.00 10.00 C ATOM 0 HA PRO A 47 54.365 -25.985 2.426 1.00 10.00 H new ATOM 0 HB2 PRO A 47 55.328 -27.026 -0.301 1.00 10.00 H new ATOM 0 HB3 PRO A 47 55.580 -25.429 0.377 1.00 10.00 H new ATOM 0 HG2 PRO A 47 57.534 -27.325 0.561 1.00 10.00 H new ATOM 0 HG3 PRO A 47 57.289 -26.178 1.863 1.00 10.00 H new ATOM 0 HD2 PRO A 47 56.617 -29.079 1.788 1.00 10.00 H new ATOM 0 HD3 PRO A 47 56.830 -28.042 3.185 1.00 10.00 H new ATOM 715 N SER A 48 52.450 -27.867 0.736 1.00 10.00 N ATOM 716 CA SER A 48 51.060 -27.959 0.330 1.00 10.00 C ATOM 717 C SER A 48 50.211 -29.020 1.032 1.00 10.00 C ATOM 718 O SER A 48 49.230 -29.524 0.481 1.00 10.00 O ATOM 719 CB SER A 48 51.025 -27.988 -1.183 1.00 10.00 C ATOM 720 OG SER A 48 51.547 -29.202 -1.709 1.00 10.00 O ATOM 0 H SER A 48 52.932 -28.766 0.737 1.00 10.00 H new ATOM 0 HA SER A 48 50.540 -27.070 0.687 1.00 10.00 H new ATOM 0 HB2 SER A 48 49.998 -27.858 -1.524 1.00 10.00 H new ATOM 0 HB3 SER A 48 51.599 -27.148 -1.574 1.00 10.00 H new ATOM 0 HG SER A 48 51.504 -29.180 -2.688 1.00 10.00 H new ATOM 726 N ASP A 49 50.576 -29.335 2.277 1.00 10.00 N ATOM 727 CA ASP A 49 49.738 -30.122 3.192 1.00 10.00 C ATOM 728 C ASP A 49 48.434 -29.324 3.338 1.00 10.00 C ATOM 729 O ASP A 49 48.479 -28.153 3.715 1.00 10.00 O ATOM 730 CB ASP A 49 50.494 -30.352 4.512 1.00 10.00 C ATOM 731 CG ASP A 49 49.697 -30.668 5.791 1.00 10.00 C ATOM 732 OD1 ASP A 49 48.457 -30.505 5.846 1.00 10.00 O ATOM 733 OD2 ASP A 49 50.359 -31.073 6.778 1.00 10.00 O ATOM 0 H ASP A 49 51.467 -29.050 2.684 1.00 10.00 H new ATOM 0 HA ASP A 49 49.503 -31.122 2.827 1.00 10.00 H new ATOM 0 HB2 ASP A 49 51.193 -31.172 4.351 1.00 10.00 H new ATOM 0 HB3 ASP A 49 51.089 -29.460 4.709 1.00 10.00 H new ATOM 738 N PRO A 50 47.274 -29.897 3.004 1.00 10.00 N ATOM 739 CA PRO A 50 46.049 -29.130 2.894 1.00 10.00 C ATOM 740 C PRO A 50 45.506 -28.599 4.213 1.00 10.00 C ATOM 741 O PRO A 50 44.860 -27.562 4.198 1.00 10.00 O ATOM 742 CB PRO A 50 45.056 -30.056 2.223 1.00 10.00 C ATOM 743 CG PRO A 50 45.551 -31.464 2.559 1.00 10.00 C ATOM 744 CD PRO A 50 47.062 -31.292 2.682 1.00 10.00 C ATOM 0 HA PRO A 50 46.241 -28.222 2.321 1.00 10.00 H new ATOM 0 HB2 PRO A 50 44.046 -29.892 2.597 1.00 10.00 H new ATOM 0 HB3 PRO A 50 45.027 -29.893 1.146 1.00 10.00 H new ATOM 0 HG2 PRO A 50 45.112 -31.833 3.486 1.00 10.00 H new ATOM 0 HG3 PRO A 50 45.291 -32.178 1.777 1.00 10.00 H new ATOM 0 HD2 PRO A 50 47.467 -31.939 3.460 1.00 10.00 H new ATOM 0 HD3 PRO A 50 47.563 -31.559 1.752 1.00 10.00 H new ATOM 752 N THR A 51 45.781 -29.240 5.348 1.00 10.00 N ATOM 753 CA THR A 51 45.477 -28.684 6.677 1.00 10.00 C ATOM 754 C THR A 51 46.474 -27.605 7.048 1.00 10.00 C ATOM 755 O THR A 51 46.057 -26.564 7.537 1.00 10.00 O ATOM 756 CB THR A 51 45.518 -29.794 7.721 1.00 10.00 C ATOM 757 OG1 THR A 51 44.373 -30.615 7.597 1.00 10.00 O ATOM 758 CG2 THR A 51 45.602 -29.288 9.159 1.00 10.00 C ATOM 0 H THR A 51 46.221 -30.160 5.378 1.00 10.00 H new ATOM 0 HA THR A 51 44.480 -28.244 6.647 1.00 10.00 H new ATOM 0 HB THR A 51 46.432 -30.354 7.523 1.00 10.00 H new ATOM 0 HG1 THR A 51 44.407 -31.327 8.270 1.00 10.00 H new ATOM 0 HG21 THR A 51 45.627 -30.137 9.842 1.00 10.00 H new ATOM 0 HG22 THR A 51 46.508 -28.695 9.284 1.00 10.00 H new ATOM 0 HG23 THR A 51 44.731 -28.671 9.379 1.00 10.00 H new ATOM 766 N ALA A 52 47.769 -27.788 6.792 1.00 10.00 N ATOM 767 CA ALA A 52 48.762 -26.725 6.950 1.00 10.00 C ATOM 768 C ALA A 52 48.417 -25.489 6.125 1.00 10.00 C ATOM 769 O ALA A 52 48.535 -24.365 6.609 1.00 10.00 O ATOM 770 CB ALA A 52 50.126 -27.311 6.566 1.00 10.00 C ATOM 0 H ALA A 52 48.159 -28.674 6.470 1.00 10.00 H new ATOM 0 HA ALA A 52 48.780 -26.382 7.984 1.00 10.00 H new ATOM 0 HB1 ALA A 52 50.894 -26.545 6.672 1.00 10.00 H new ATOM 0 HB2 ALA A 52 50.359 -28.151 7.221 1.00 10.00 H new ATOM 0 HB3 ALA A 52 50.096 -27.655 5.532 1.00 10.00 H new ATOM 776 N LEU A 53 47.953 -25.698 4.900 1.00 10.00 N ATOM 777 CA LEU A 53 47.632 -24.644 3.958 1.00 10.00 C ATOM 778 C LEU A 53 46.261 -24.037 4.264 1.00 10.00 C ATOM 779 O LEU A 53 46.105 -22.825 4.187 1.00 10.00 O ATOM 780 CB LEU A 53 47.784 -25.260 2.561 1.00 10.00 C ATOM 781 CG LEU A 53 47.968 -24.319 1.361 1.00 10.00 C ATOM 782 CD1 LEU A 53 48.522 -22.946 1.707 1.00 10.00 C ATOM 783 CD2 LEU A 53 48.993 -24.975 0.439 1.00 10.00 C ATOM 0 H LEU A 53 47.786 -26.633 4.528 1.00 10.00 H new ATOM 0 HA LEU A 53 48.304 -23.789 4.029 1.00 10.00 H new ATOM 0 HB2 LEU A 53 48.640 -25.935 2.588 1.00 10.00 H new ATOM 0 HB3 LEU A 53 46.902 -25.871 2.371 1.00 10.00 H new ATOM 0 HG LEU A 53 46.981 -24.169 0.924 1.00 10.00 H new ATOM 0 HD11 LEU A 53 48.617 -22.352 0.798 1.00 10.00 H new ATOM 0 HD12 LEU A 53 47.845 -22.444 2.399 1.00 10.00 H new ATOM 0 HD13 LEU A 53 49.501 -23.056 2.173 1.00 10.00 H new ATOM 0 HD21 LEU A 53 49.158 -24.341 -0.432 1.00 10.00 H new ATOM 0 HD22 LEU A 53 49.933 -25.106 0.975 1.00 10.00 H new ATOM 0 HD23 LEU A 53 48.621 -25.947 0.115 1.00 10.00 H new ATOM 795 N ALA A 54 45.300 -24.842 4.722 1.00 10.00 N ATOM 796 CA ALA A 54 44.030 -24.370 5.269 1.00 10.00 C ATOM 797 C ALA A 54 44.259 -23.507 6.518 1.00 10.00 C ATOM 798 O ALA A 54 43.654 -22.448 6.676 1.00 10.00 O ATOM 799 CB ALA A 54 43.163 -25.589 5.632 1.00 10.00 C ATOM 0 H ALA A 54 45.386 -25.858 4.722 1.00 10.00 H new ATOM 0 HA ALA A 54 43.526 -23.758 4.521 1.00 10.00 H new ATOM 0 HB1 ALA A 54 42.212 -25.250 6.042 1.00 10.00 H new ATOM 0 HB2 ALA A 54 42.981 -26.185 4.738 1.00 10.00 H new ATOM 0 HB3 ALA A 54 43.682 -26.196 6.374 1.00 10.00 H new ATOM 805 N ASN A 55 45.172 -23.947 7.385 1.00 10.00 N ATOM 806 CA ASN A 55 45.556 -23.279 8.618 1.00 10.00 C ATOM 807 C ASN A 55 46.232 -21.938 8.324 1.00 10.00 C ATOM 808 O ASN A 55 45.790 -20.895 8.796 1.00 10.00 O ATOM 809 CB ASN A 55 46.490 -24.229 9.379 1.00 10.00 C ATOM 810 CG ASN A 55 47.105 -23.662 10.629 1.00 10.00 C ATOM 811 OD1 ASN A 55 46.435 -23.315 11.588 1.00 10.00 O ATOM 812 ND2 ASN A 55 48.414 -23.596 10.643 1.00 10.00 N ATOM 0 H ASN A 55 45.683 -24.817 7.236 1.00 10.00 H new ATOM 0 HA ASN A 55 44.679 -23.053 9.225 1.00 10.00 H new ATOM 0 HB2 ASN A 55 45.931 -25.126 9.644 1.00 10.00 H new ATOM 0 HB3 ASN A 55 47.291 -24.539 8.708 1.00 10.00 H new ATOM 0 HD21 ASN A 55 48.898 -23.248 11.470 1.00 10.00 H new ATOM 0 HD22 ASN A 55 48.948 -23.893 9.827 1.00 10.00 H new ATOM 819 N TYR A 56 47.258 -21.967 7.477 1.00 10.00 N ATOM 820 CA TYR A 56 47.898 -20.765 6.932 1.00 10.00 C ATOM 821 C TYR A 56 46.908 -19.825 6.253 1.00 10.00 C ATOM 822 O TYR A 56 46.910 -18.647 6.580 1.00 10.00 O ATOM 823 CB TYR A 56 49.059 -21.208 6.030 1.00 10.00 C ATOM 824 CG TYR A 56 49.759 -20.190 5.155 1.00 10.00 C ATOM 825 CD1 TYR A 56 49.273 -19.930 3.859 1.00 10.00 C ATOM 826 CD2 TYR A 56 51.001 -19.664 5.561 1.00 10.00 C ATOM 827 CE1 TYR A 56 50.044 -19.174 2.957 1.00 10.00 C ATOM 828 CE2 TYR A 56 51.779 -18.917 4.659 1.00 10.00 C ATOM 829 CZ TYR A 56 51.311 -18.688 3.344 1.00 10.00 C ATOM 830 OH TYR A 56 52.072 -17.998 2.448 1.00 10.00 O ATOM 0 H TYR A 56 47.676 -22.836 7.143 1.00 10.00 H new ATOM 0 HA TYR A 56 48.303 -20.161 7.744 1.00 10.00 H new ATOM 0 HB2 TYR A 56 49.815 -21.661 6.671 1.00 10.00 H new ATOM 0 HB3 TYR A 56 48.682 -21.995 5.377 1.00 10.00 H new ATOM 0 HD1 TYR A 56 48.308 -20.311 3.558 1.00 10.00 H new ATOM 0 HD2 TYR A 56 51.356 -19.835 6.567 1.00 10.00 H new ATOM 0 HE1 TYR A 56 49.666 -18.965 1.967 1.00 10.00 H new ATOM 0 HE2 TYR A 56 52.733 -18.518 4.970 1.00 10.00 H new ATOM 0 HH TYR A 56 52.915 -17.732 2.871 1.00 10.00 H new ATOM 840 N GLN A 57 45.991 -20.306 5.416 1.00 10.00 N ATOM 841 CA GLN A 57 44.981 -19.445 4.784 1.00 10.00 C ATOM 842 C GLN A 57 44.005 -18.835 5.806 1.00 10.00 C ATOM 843 O GLN A 57 43.658 -17.660 5.692 1.00 10.00 O ATOM 844 CB GLN A 57 44.209 -20.204 3.691 1.00 10.00 C ATOM 845 CG GLN A 57 45.014 -20.388 2.390 1.00 10.00 C ATOM 846 CD GLN A 57 45.228 -19.108 1.578 1.00 10.00 C ATOM 847 OE1 GLN A 57 44.658 -18.051 1.820 1.00 10.00 O ATOM 848 NE2 GLN A 57 46.067 -19.152 0.563 1.00 10.00 N ATOM 0 H GLN A 57 45.923 -21.290 5.156 1.00 10.00 H new ATOM 0 HA GLN A 57 45.523 -18.620 4.321 1.00 10.00 H new ATOM 0 HB2 GLN A 57 43.921 -21.183 4.073 1.00 10.00 H new ATOM 0 HB3 GLN A 57 43.288 -19.666 3.467 1.00 10.00 H new ATOM 0 HG2 GLN A 57 45.988 -20.810 2.639 1.00 10.00 H new ATOM 0 HG3 GLN A 57 44.501 -21.117 1.763 1.00 10.00 H new ATOM 0 HE21 GLN A 57 46.554 -20.020 0.341 1.00 10.00 H new ATOM 0 HE22 GLN A 57 46.230 -18.318 -0.001 1.00 10.00 H new ATOM 857 N MET A 58 43.596 -19.588 6.833 1.00 10.00 N ATOM 858 CA MET A 58 42.721 -19.112 7.911 1.00 10.00 C ATOM 859 C MET A 58 43.396 -18.049 8.782 1.00 10.00 C ATOM 860 O MET A 58 42.833 -16.978 9.014 1.00 10.00 O ATOM 861 CB MET A 58 42.282 -20.319 8.751 1.00 10.00 C ATOM 862 CG MET A 58 41.377 -19.960 9.936 1.00 10.00 C ATOM 863 SD MET A 58 40.908 -21.379 10.968 1.00 10.00 S ATOM 864 CE MET A 58 42.465 -21.667 11.862 1.00 10.00 C ATOM 0 H MET A 58 43.869 -20.565 6.941 1.00 10.00 H new ATOM 0 HA MET A 58 41.850 -18.629 7.468 1.00 10.00 H new ATOM 0 HB2 MET A 58 41.757 -21.025 8.107 1.00 10.00 H new ATOM 0 HB3 MET A 58 43.169 -20.829 9.126 1.00 10.00 H new ATOM 0 HG2 MET A 58 41.886 -19.224 10.558 1.00 10.00 H new ATOM 0 HG3 MET A 58 40.472 -19.485 9.557 1.00 10.00 H new ATOM 0 HE1 MET A 58 42.314 -22.440 12.616 1.00 10.00 H new ATOM 0 HE2 MET A 58 43.233 -21.990 11.160 1.00 10.00 H new ATOM 0 HE3 MET A 58 42.782 -20.744 12.347 1.00 10.00 H new ATOM 874 N ILE A 59 44.620 -18.311 9.234 1.00 10.00 N ATOM 875 CA ILE A 59 45.389 -17.391 10.058 1.00 10.00 C ATOM 876 C ILE A 59 45.814 -16.175 9.230 1.00 10.00 C ATOM 877 O ILE A 59 45.813 -15.062 9.744 1.00 10.00 O ATOM 878 CB ILE A 59 46.579 -18.157 10.661 1.00 10.00 C ATOM 879 CG1 ILE A 59 46.110 -19.284 11.611 1.00 10.00 C ATOM 880 CG2 ILE A 59 47.489 -17.229 11.462 1.00 10.00 C ATOM 881 CD1 ILE A 59 47.260 -20.206 12.015 1.00 10.00 C ATOM 0 H ILE A 59 45.110 -19.183 9.033 1.00 10.00 H new ATOM 0 HA ILE A 59 44.788 -17.004 10.881 1.00 10.00 H new ATOM 0 HB ILE A 59 47.122 -18.583 9.817 1.00 10.00 H new ATOM 0 HG12 ILE A 59 45.667 -18.844 12.504 1.00 10.00 H new ATOM 0 HG13 ILE A 59 45.330 -19.869 11.123 1.00 10.00 H new ATOM 0 HG21 ILE A 59 48.320 -17.801 11.875 1.00 10.00 H new ATOM 0 HG22 ILE A 59 47.876 -16.447 10.809 1.00 10.00 H new ATOM 0 HG23 ILE A 59 46.922 -16.776 12.275 1.00 10.00 H new ATOM 0 HD11 ILE A 59 46.886 -20.983 12.682 1.00 10.00 H new ATOM 0 HD12 ILE A 59 47.687 -20.667 11.124 1.00 10.00 H new ATOM 0 HD13 ILE A 59 48.028 -19.627 12.527 1.00 10.00 H new ATOM 893 N MET A 60 46.114 -16.349 7.941 1.00 10.00 N ATOM 894 CA MET A 60 46.432 -15.243 7.039 1.00 10.00 C ATOM 895 C MET A 60 45.213 -14.376 6.728 1.00 10.00 C ATOM 896 O MET A 60 45.345 -13.160 6.615 1.00 10.00 O ATOM 897 CB MET A 60 47.085 -15.751 5.754 1.00 10.00 C ATOM 898 CG MET A 60 47.885 -14.631 5.099 1.00 10.00 C ATOM 899 SD MET A 60 48.980 -15.173 3.765 1.00 10.00 S ATOM 900 CE MET A 60 50.246 -15.946 4.806 1.00 10.00 C ATOM 0 H MET A 60 46.143 -17.265 7.493 1.00 10.00 H new ATOM 0 HA MET A 60 47.148 -14.608 7.560 1.00 10.00 H new ATOM 0 HB2 MET A 60 47.739 -16.594 5.977 1.00 10.00 H new ATOM 0 HB3 MET A 60 46.321 -16.114 5.066 1.00 10.00 H new ATOM 0 HG2 MET A 60 47.191 -13.889 4.704 1.00 10.00 H new ATOM 0 HG3 MET A 60 48.482 -14.133 5.863 1.00 10.00 H new ATOM 0 HE1 MET A 60 51.159 -16.083 4.227 1.00 10.00 H new ATOM 0 HE2 MET A 60 50.453 -15.306 5.664 1.00 10.00 H new ATOM 0 HE3 MET A 60 49.889 -16.915 5.154 1.00 10.00 H new ATOM 910 N SER A 61 44.022 -14.975 6.657 1.00 10.00 N ATOM 911 CA SER A 61 42.753 -14.243 6.581 1.00 10.00 C ATOM 912 C SER A 61 42.567 -13.359 7.818 1.00 10.00 C ATOM 913 O SER A 61 42.295 -12.169 7.676 1.00 10.00 O ATOM 914 CB SER A 61 41.561 -15.198 6.415 1.00 10.00 C ATOM 915 OG SER A 61 41.606 -15.834 5.148 1.00 10.00 O ATOM 0 H SER A 61 43.909 -15.989 6.651 1.00 10.00 H new ATOM 0 HA SER A 61 42.791 -13.605 5.698 1.00 10.00 H new ATOM 0 HB2 SER A 61 41.576 -15.948 7.206 1.00 10.00 H new ATOM 0 HB3 SER A 61 40.627 -14.645 6.518 1.00 10.00 H new ATOM 0 HG SER A 61 42.297 -16.529 5.155 1.00 10.00 H new ATOM 921 N GLU A 62 42.804 -13.887 9.025 1.00 10.00 N ATOM 922 CA GLU A 62 42.773 -13.101 10.269 1.00 10.00 C ATOM 923 C GLU A 62 43.873 -12.029 10.344 1.00 10.00 C ATOM 924 O GLU A 62 43.599 -10.885 10.708 1.00 10.00 O ATOM 925 CB GLU A 62 42.861 -14.027 11.496 1.00 10.00 C ATOM 926 CG GLU A 62 41.575 -14.837 11.702 1.00 10.00 C ATOM 927 CD GLU A 62 41.635 -15.634 13.020 1.00 10.00 C ATOM 928 OE1 GLU A 62 42.161 -16.774 13.027 1.00 10.00 O ATOM 929 OE2 GLU A 62 41.148 -15.128 14.060 1.00 10.00 O ATOM 0 H GLU A 62 43.023 -14.873 9.169 1.00 10.00 H new ATOM 0 HA GLU A 62 41.819 -12.574 10.268 1.00 10.00 H new ATOM 0 HB2 GLU A 62 43.703 -14.709 11.375 1.00 10.00 H new ATOM 0 HB3 GLU A 62 43.059 -13.430 12.386 1.00 10.00 H new ATOM 0 HG2 GLU A 62 40.716 -14.166 11.716 1.00 10.00 H new ATOM 0 HG3 GLU A 62 41.432 -15.520 10.865 1.00 10.00 H new ATOM 936 N TYR A 63 45.099 -12.375 9.952 1.00 10.00 N ATOM 937 CA TYR A 63 46.247 -11.465 9.899 1.00 10.00 C ATOM 938 C TYR A 63 45.989 -10.274 8.973 1.00 10.00 C ATOM 939 O TYR A 63 46.174 -9.115 9.354 1.00 10.00 O ATOM 940 CB TYR A 63 47.484 -12.253 9.444 1.00 10.00 C ATOM 941 CG TYR A 63 48.697 -11.409 9.116 1.00 10.00 C ATOM 942 CD1 TYR A 63 49.433 -10.780 10.140 1.00 10.00 C ATOM 943 CD2 TYR A 63 49.093 -11.272 7.772 1.00 10.00 C ATOM 944 CE1 TYR A 63 50.571 -10.017 9.816 1.00 10.00 C ATOM 945 CE2 TYR A 63 50.235 -10.523 7.446 1.00 10.00 C ATOM 946 CZ TYR A 63 50.978 -9.894 8.468 1.00 10.00 C ATOM 947 OH TYR A 63 52.069 -9.149 8.144 1.00 10.00 O ATOM 0 H TYR A 63 45.329 -13.323 9.654 1.00 10.00 H new ATOM 0 HA TYR A 63 46.415 -11.055 10.895 1.00 10.00 H new ATOM 0 HB2 TYR A 63 47.754 -12.960 10.228 1.00 10.00 H new ATOM 0 HB3 TYR A 63 47.219 -12.839 8.564 1.00 10.00 H new ATOM 0 HD1 TYR A 63 49.125 -10.883 11.170 1.00 10.00 H new ATOM 0 HD2 TYR A 63 48.517 -11.744 6.990 1.00 10.00 H new ATOM 0 HE1 TYR A 63 51.133 -9.526 10.597 1.00 10.00 H new ATOM 0 HE2 TYR A 63 50.544 -10.428 6.416 1.00 10.00 H new ATOM 0 HH TYR A 63 52.206 -9.174 7.174 1.00 10.00 H new ATOM 957 N ASN A 64 45.515 -10.565 7.763 1.00 10.00 N ATOM 958 CA ASN A 64 45.266 -9.556 6.746 1.00 10.00 C ATOM 959 C ASN A 64 44.060 -8.676 7.120 1.00 10.00 C ATOM 960 O ASN A 64 44.098 -7.458 6.949 1.00 10.00 O ATOM 961 CB ASN A 64 45.062 -10.241 5.386 1.00 10.00 C ATOM 962 CG ASN A 64 44.908 -9.225 4.265 1.00 10.00 C ATOM 963 OD1 ASN A 64 45.803 -8.441 3.978 1.00 10.00 O ATOM 964 ND2 ASN A 64 43.774 -9.193 3.600 1.00 10.00 N ATOM 0 H ASN A 64 45.293 -11.514 7.463 1.00 10.00 H new ATOM 0 HA ASN A 64 46.131 -8.896 6.680 1.00 10.00 H new ATOM 0 HB2 ASN A 64 45.911 -10.891 5.174 1.00 10.00 H new ATOM 0 HB3 ASN A 64 44.177 -10.876 5.427 1.00 10.00 H new ATOM 0 HD21 ASN A 64 43.643 -8.516 2.848 1.00 10.00 H new ATOM 0 HD22 ASN A 64 43.026 -9.845 3.836 1.00 10.00 H new ATOM 1108 N VAL A 74 42.296 4.164 11.642 1.00 10.00 N ATOM 1109 CA VAL A 74 43.051 5.417 11.736 1.00 10.00 C ATOM 1110 C VAL A 74 42.493 6.541 10.839 1.00 10.00 C ATOM 1111 O VAL A 74 42.717 7.719 11.129 1.00 10.00 O ATOM 1112 CB VAL A 74 44.526 5.074 11.425 1.00 10.00 C ATOM 1113 CG1 VAL A 74 45.416 6.279 11.149 1.00 10.00 C ATOM 1114 CG2 VAL A 74 45.151 4.291 12.589 1.00 10.00 C ATOM 0 HA VAL A 74 42.959 5.830 12.741 1.00 10.00 H new ATOM 0 HB VAL A 74 44.482 4.483 10.510 1.00 10.00 H new ATOM 0 HG11 VAL A 74 46.431 5.941 10.941 1.00 10.00 H new ATOM 0 HG12 VAL A 74 45.032 6.825 10.288 1.00 10.00 H new ATOM 0 HG13 VAL A 74 45.422 6.934 12.020 1.00 10.00 H new ATOM 0 HG21 VAL A 74 46.189 4.057 12.354 1.00 10.00 H new ATOM 0 HG22 VAL A 74 45.111 4.894 13.496 1.00 10.00 H new ATOM 0 HG23 VAL A 74 44.597 3.365 12.744 1.00 10.00 H new ATOM 1124 N LYS A 75 41.717 6.208 9.797 1.00 10.00 N ATOM 1125 CA LYS A 75 41.146 7.159 8.818 1.00 10.00 C ATOM 1126 C LYS A 75 39.611 7.273 8.877 1.00 10.00 C ATOM 1127 O LYS A 75 39.049 8.181 8.260 1.00 10.00 O ATOM 1128 CB LYS A 75 41.633 6.781 7.406 1.00 10.00 C ATOM 1129 CG LYS A 75 43.158 6.920 7.257 1.00 10.00 C ATOM 1130 CD LYS A 75 43.624 6.524 5.849 1.00 10.00 C ATOM 1131 CE LYS A 75 45.149 6.655 5.747 1.00 10.00 C ATOM 1132 NZ LYS A 75 45.645 6.262 4.402 1.00 10.00 N ATOM 0 H LYS A 75 41.459 5.241 9.602 1.00 10.00 H new ATOM 0 HA LYS A 75 41.506 8.153 9.082 1.00 10.00 H new ATOM 0 HB2 LYS A 75 41.341 5.754 7.186 1.00 10.00 H new ATOM 0 HB3 LYS A 75 41.139 7.417 6.671 1.00 10.00 H new ATOM 0 HG2 LYS A 75 43.452 7.949 7.463 1.00 10.00 H new ATOM 0 HG3 LYS A 75 43.656 6.292 7.996 1.00 10.00 H new ATOM 0 HD2 LYS A 75 43.323 5.499 5.632 1.00 10.00 H new ATOM 0 HD3 LYS A 75 43.145 7.161 5.105 1.00 10.00 H new ATOM 0 HE2 LYS A 75 45.441 7.684 5.956 1.00 10.00 H new ATOM 0 HE3 LYS A 75 45.620 6.030 6.506 1.00 10.00 H new ATOM 0 HZ1 LYS A 75 46.680 6.363 4.370 1.00 10.00 H new ATOM 0 HZ2 LYS A 75 45.388 5.272 4.213 1.00 10.00 H new ATOM 0 HZ3 LYS A 75 45.215 6.875 3.681 1.00 10.00 H new ATOM 1146 N SER A 76 38.946 6.413 9.657 1.00 10.00 N ATOM 1147 CA SER A 76 37.475 6.295 9.747 1.00 10.00 C ATOM 1148 C SER A 76 36.965 6.048 11.181 1.00 10.00 C ATOM 1149 O SER A 76 35.845 5.572 11.366 1.00 10.00 O ATOM 1150 CB SER A 76 36.988 5.170 8.814 1.00 10.00 C ATOM 1151 OG SER A 76 37.345 5.428 7.462 1.00 10.00 O ATOM 0 H SER A 76 39.429 5.754 10.267 1.00 10.00 H new ATOM 0 HA SER A 76 37.063 7.255 9.435 1.00 10.00 H new ATOM 0 HB2 SER A 76 37.419 4.220 9.131 1.00 10.00 H new ATOM 0 HB3 SER A 76 35.905 5.072 8.894 1.00 10.00 H new ATOM 0 HG SER A 76 37.024 4.697 6.894 1.00 10.00 H new ATOM 1157 N MET A 77 37.768 6.353 12.209 1.00 10.00 N ATOM 1158 CA MET A 77 37.523 5.983 13.616 1.00 10.00 C ATOM 1159 C MET A 77 36.101 6.303 14.119 1.00 10.00 C ATOM 1160 O MET A 77 35.433 5.436 14.686 1.00 10.00 O ATOM 1161 CB MET A 77 38.592 6.648 14.513 1.00 10.00 C ATOM 1162 CG MET A 77 38.585 6.086 15.941 1.00 10.00 C ATOM 1163 SD MET A 77 39.004 4.324 16.065 1.00 10.00 S ATOM 1164 CE MET A 77 38.784 4.088 17.849 1.00 10.00 C ATOM 0 H MET A 77 38.633 6.880 12.085 1.00 10.00 H new ATOM 0 HA MET A 77 37.602 4.897 13.674 1.00 10.00 H new ATOM 0 HB2 MET A 77 39.577 6.499 14.071 1.00 10.00 H new ATOM 0 HB3 MET A 77 38.417 7.723 14.547 1.00 10.00 H new ATOM 0 HG2 MET A 77 39.291 6.657 16.545 1.00 10.00 H new ATOM 0 HG3 MET A 77 37.597 6.242 16.373 1.00 10.00 H new ATOM 0 HE1 MET A 77 39.001 3.052 18.108 1.00 10.00 H new ATOM 0 HE2 MET A 77 39.463 4.747 18.390 1.00 10.00 H new ATOM 0 HE3 MET A 77 37.755 4.323 18.123 1.00 10.00 H new ATOM 1174 N LYS A 78 35.613 7.530 13.880 1.00 10.00 N ATOM 1175 CA LYS A 78 34.279 7.988 14.316 1.00 10.00 C ATOM 1176 C LYS A 78 33.120 7.313 13.569 1.00 10.00 C ATOM 1177 O LYS A 78 32.042 7.149 14.141 1.00 10.00 O ATOM 1178 CB LYS A 78 34.175 9.520 14.184 1.00 10.00 C ATOM 1179 CG LYS A 78 35.186 10.317 15.029 1.00 10.00 C ATOM 1180 CD LYS A 78 35.047 10.081 16.542 1.00 10.00 C ATOM 1181 CE LYS A 78 35.981 11.029 17.306 1.00 10.00 C ATOM 1182 NZ LYS A 78 35.878 10.836 18.778 1.00 10.00 N ATOM 0 H LYS A 78 36.138 8.243 13.373 1.00 10.00 H new ATOM 0 HA LYS A 78 34.181 7.694 15.361 1.00 10.00 H new ATOM 0 HB2 LYS A 78 34.308 9.789 13.136 1.00 10.00 H new ATOM 0 HB3 LYS A 78 33.168 9.826 14.466 1.00 10.00 H new ATOM 0 HG2 LYS A 78 36.196 10.049 14.720 1.00 10.00 H new ATOM 0 HG3 LYS A 78 35.061 11.380 14.823 1.00 10.00 H new ATOM 0 HD2 LYS A 78 34.015 10.246 16.851 1.00 10.00 H new ATOM 0 HD3 LYS A 78 35.290 9.046 16.781 1.00 10.00 H new ATOM 0 HE2 LYS A 78 37.010 10.860 16.988 1.00 10.00 H new ATOM 0 HE3 LYS A 78 35.735 12.061 17.056 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 36.523 11.494 19.260 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 34.902 11.021 19.085 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 36.137 9.858 19.019 1.00 10.00 H new ATOM 1196 N ASP A 79 33.332 6.890 12.321 1.00 10.00 N ATOM 1197 CA ASP A 79 32.348 6.115 11.554 1.00 10.00 C ATOM 1198 C ASP A 79 32.224 4.682 12.099 1.00 10.00 C ATOM 1199 O ASP A 79 31.112 4.207 12.331 1.00 10.00 O ATOM 1200 CB ASP A 79 32.734 6.104 10.068 1.00 10.00 C ATOM 1201 CG ASP A 79 31.660 5.414 9.209 1.00 10.00 C ATOM 1202 OD1 ASP A 79 30.618 6.049 8.921 1.00 10.00 O ATOM 1203 OD2 ASP A 79 31.865 4.245 8.804 1.00 10.00 O ATOM 0 H ASP A 79 34.195 7.075 11.809 1.00 10.00 H new ATOM 0 HA ASP A 79 31.373 6.592 11.660 1.00 10.00 H new ATOM 0 HB2 ASP A 79 32.876 7.127 9.721 1.00 10.00 H new ATOM 0 HB3 ASP A 79 33.687 5.590 9.943 1.00 10.00 H new ATOM 1208 N ILE A 80 33.353 4.020 12.389 1.00 10.00 N ATOM 1209 CA ILE A 80 33.369 2.683 13.011 1.00 10.00 C ATOM 1210 C ILE A 80 32.697 2.723 14.389 1.00 10.00 C ATOM 1211 O ILE A 80 31.801 1.927 14.666 1.00 10.00 O ATOM 1212 CB ILE A 80 34.805 2.109 13.089 1.00 10.00 C ATOM 1213 CG1 ILE A 80 35.418 1.998 11.672 1.00 10.00 C ATOM 1214 CG2 ILE A 80 34.804 0.731 13.782 1.00 10.00 C ATOM 1215 CD1 ILE A 80 36.854 1.461 11.657 1.00 10.00 C ATOM 0 H ILE A 80 34.283 4.394 12.200 1.00 10.00 H new ATOM 0 HA ILE A 80 32.794 2.008 12.378 1.00 10.00 H new ATOM 0 HB ILE A 80 35.415 2.791 13.681 1.00 10.00 H new ATOM 0 HG12 ILE A 80 34.790 1.346 11.065 1.00 10.00 H new ATOM 0 HG13 ILE A 80 35.403 2.981 11.202 1.00 10.00 H new ATOM 0 HG21 ILE A 80 35.823 0.345 13.826 1.00 10.00 H new ATOM 0 HG22 ILE A 80 34.410 0.833 14.793 1.00 10.00 H new ATOM 0 HG23 ILE A 80 34.179 0.040 13.217 1.00 10.00 H new ATOM 0 HD11 ILE A 80 37.214 1.412 10.629 1.00 10.00 H new ATOM 0 HD12 ILE A 80 37.497 2.125 12.235 1.00 10.00 H new ATOM 0 HD13 ILE A 80 36.874 0.463 12.096 1.00 10.00 H new ATOM 1227 N ASP A 81 33.052 3.702 15.221 1.00 10.00 N ATOM 1228 CA ASP A 81 32.464 3.924 16.553 1.00 10.00 C ATOM 1229 C ASP A 81 30.936 4.173 16.537 1.00 10.00 C ATOM 1230 O ASP A 81 30.274 4.031 17.569 1.00 10.00 O ATOM 1231 CB ASP A 81 33.215 5.081 17.229 1.00 10.00 C ATOM 1232 CG ASP A 81 32.836 5.255 18.711 1.00 10.00 C ATOM 1233 OD1 ASP A 81 33.099 4.328 19.517 1.00 10.00 O ATOM 1234 OD2 ASP A 81 32.322 6.335 19.086 1.00 10.00 O ATOM 0 H ASP A 81 33.774 4.383 14.987 1.00 10.00 H new ATOM 0 HA ASP A 81 32.583 3.004 17.125 1.00 10.00 H new ATOM 0 HB2 ASP A 81 34.288 4.906 17.152 1.00 10.00 H new ATOM 0 HB3 ASP A 81 33.004 6.007 16.694 1.00 10.00 H new ATOM 1239 N SER A 82 30.361 4.483 15.368 1.00 10.00 N ATOM 1240 CA SER A 82 28.923 4.724 15.161 1.00 10.00 C ATOM 1241 C SER A 82 28.189 3.590 14.421 1.00 10.00 C ATOM 1242 O SER A 82 26.953 3.595 14.401 1.00 10.00 O ATOM 1243 CB SER A 82 28.720 6.029 14.376 1.00 10.00 C ATOM 1244 OG SER A 82 29.294 7.142 15.047 1.00 10.00 O ATOM 0 H SER A 82 30.902 4.577 14.508 1.00 10.00 H new ATOM 0 HA SER A 82 28.491 4.783 16.160 1.00 10.00 H new ATOM 0 HB2 SER A 82 29.166 5.931 13.386 1.00 10.00 H new ATOM 0 HB3 SER A 82 27.654 6.203 14.229 1.00 10.00 H new ATOM 0 HG SER A 82 30.234 7.232 14.786 1.00 10.00 H new ATOM 1250 N SER A 83 28.903 2.610 13.846 1.00 10.00 N ATOM 1251 CA SER A 83 28.327 1.600 12.927 1.00 10.00 C ATOM 1252 C SER A 83 28.886 0.169 13.048 1.00 10.00 C ATOM 1253 O SER A 83 28.414 -0.723 12.337 1.00 10.00 O ATOM 1254 CB SER A 83 28.495 2.075 11.472 1.00 10.00 C ATOM 1255 OG SER A 83 27.787 3.286 11.235 1.00 10.00 O ATOM 0 H SER A 83 29.904 2.490 14.003 1.00 10.00 H new ATOM 0 HA SER A 83 27.282 1.525 13.226 1.00 10.00 H new ATOM 0 HB2 SER A 83 29.553 2.222 11.256 1.00 10.00 H new ATOM 0 HB3 SER A 83 28.135 1.303 10.792 1.00 10.00 H new ATOM 0 HG SER A 83 27.914 3.563 10.304 1.00 10.00 H new