USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=14 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 75 LYS NZ :NH3+ 166:sc= 0.28 (180deg=-0.0708) USER MOD Set 1.2: A 76 SER OG : rot 180:sc= 0.276 USER MOD Set 2.1: A 40 GLN : amide:sc= 0.435 X(o=-1.5,f=-1.9) USER MOD Set 2.2: A 56 TYR OH : rot 180:sc= 0.401 USER MOD Set 2.3: A 60 MET CE :methyl -159:sc= -2.36 (180deg=-3.53!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.0331 X(o=-0.033,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 42 ASN : amide:sc= 0.348 X(o=0.35,f=-0.077) USER MOD Single : A 44 THR OG1 : rot 65:sc= 1.21 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.7 K(o=-1.7,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= -0.322 X(o=-0.32,f=-0.16) USER MOD Single : A 57 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.2) USER MOD Single : A 58 MET CE :methyl -171:sc= -0.0175 (180deg=-0.116) 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 77 MET CE :methyl 167:sc=-0.000642 (180deg=-0.183) USER MOD Single : A 78 LYS NZ :NH3+ -159:sc= 0.748 (180deg=0.528) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 461 N LEU A 32 49.820 -12.134 16.441 1.00 10.00 N ATOM 462 CA LEU A 32 49.099 -12.735 15.317 1.00 10.00 C ATOM 463 C LEU A 32 50.079 -13.150 14.209 1.00 10.00 C ATOM 464 O LEU A 32 49.940 -14.209 13.599 1.00 10.00 O ATOM 465 CB LEU A 32 48.093 -11.679 14.812 1.00 10.00 C ATOM 466 CG LEU A 32 46.759 -12.215 14.259 1.00 10.00 C ATOM 467 CD1 LEU A 32 45.958 -11.033 13.708 1.00 10.00 C ATOM 468 CD2 LEU A 32 46.922 -13.253 13.151 1.00 10.00 C ATOM 0 HA LEU A 32 48.574 -13.639 15.625 1.00 10.00 H new ATOM 0 HB2 LEU A 32 47.873 -10.996 15.633 1.00 10.00 H new ATOM 0 HB3 LEU A 32 48.576 -11.093 14.030 1.00 10.00 H new ATOM 0 HG LEU A 32 46.249 -12.715 15.083 1.00 10.00 H new ATOM 0 HD11 LEU A 32 45.008 -11.391 13.311 1.00 10.00 H new ATOM 0 HD12 LEU A 32 45.770 -10.316 14.508 1.00 10.00 H new ATOM 0 HD13 LEU A 32 46.525 -10.549 12.913 1.00 10.00 H new ATOM 0 HD21 LEU A 32 45.939 -13.582 12.813 1.00 10.00 H new ATOM 0 HD22 LEU A 32 47.463 -12.811 12.315 1.00 10.00 H new ATOM 0 HD23 LEU A 32 47.480 -14.108 13.533 1.00 10.00 H new ATOM 480 N ASN A 33 51.129 -12.353 13.995 1.00 10.00 N ATOM 481 CA ASN A 33 52.204 -12.709 13.061 1.00 10.00 C ATOM 482 C ASN A 33 52.936 -13.994 13.490 1.00 10.00 C ATOM 483 O ASN A 33 53.278 -14.813 12.645 1.00 10.00 O ATOM 484 CB ASN A 33 53.173 -11.529 12.893 1.00 10.00 C ATOM 485 CG ASN A 33 54.153 -11.782 11.757 1.00 10.00 C ATOM 486 OD1 ASN A 33 53.779 -11.916 10.602 1.00 10.00 O ATOM 487 ND2 ASN A 33 55.433 -11.861 12.041 1.00 10.00 N ATOM 0 H ASN A 33 51.259 -11.453 14.457 1.00 10.00 H new ATOM 0 HA ASN A 33 51.754 -12.921 12.091 1.00 10.00 H new ATOM 0 HB2 ASN A 33 52.610 -10.617 12.695 1.00 10.00 H new ATOM 0 HB3 ASN A 33 53.721 -11.370 13.822 1.00 10.00 H new ATOM 0 HD21 ASN A 33 56.110 -12.034 11.298 1.00 10.00 H new ATOM 0 HD22 ASN A 33 55.749 -11.750 13.004 1.00 10.00 H new ATOM 494 N LYS A 34 53.115 -14.214 14.798 1.00 10.00 N ATOM 495 CA LYS A 34 53.676 -15.441 15.387 1.00 10.00 C ATOM 496 C LYS A 34 52.788 -16.659 15.124 1.00 10.00 C ATOM 497 O LYS A 34 53.291 -17.712 14.739 1.00 10.00 O ATOM 498 CB LYS A 34 53.910 -15.203 16.890 1.00 10.00 C ATOM 499 CG LYS A 34 54.628 -16.377 17.579 1.00 10.00 C ATOM 500 CD LYS A 34 54.830 -16.155 19.085 1.00 10.00 C ATOM 501 CE LYS A 34 55.779 -14.986 19.387 1.00 10.00 C ATOM 502 NZ LYS A 34 56.021 -14.843 20.848 1.00 10.00 N ATOM 0 H LYS A 34 52.865 -13.520 15.502 1.00 10.00 H new ATOM 0 HA LYS A 34 54.630 -15.667 14.911 1.00 10.00 H new ATOM 0 HB2 LYS A 34 54.500 -14.296 17.021 1.00 10.00 H new ATOM 0 HB3 LYS A 34 52.951 -15.033 17.379 1.00 10.00 H new ATOM 0 HG2 LYS A 34 54.051 -17.289 17.426 1.00 10.00 H new ATOM 0 HG3 LYS A 34 55.598 -16.530 17.106 1.00 10.00 H new ATOM 0 HD2 LYS A 34 53.864 -15.965 19.553 1.00 10.00 H new ATOM 0 HD3 LYS A 34 55.227 -17.066 19.533 1.00 10.00 H new ATOM 0 HE2 LYS A 34 56.728 -15.144 18.874 1.00 10.00 H new ATOM 0 HE3 LYS A 34 55.355 -14.061 18.995 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 56.666 -14.045 21.017 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 55.118 -14.668 21.334 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 56.448 -15.717 21.216 1.00 10.00 H new ATOM 516 N GLN A 35 51.470 -16.499 15.249 1.00 10.00 N ATOM 517 CA GLN A 35 50.483 -17.532 14.886 1.00 10.00 C ATOM 518 C GLN A 35 50.561 -17.895 13.395 1.00 10.00 C ATOM 519 O GLN A 35 50.518 -19.067 13.024 1.00 10.00 O ATOM 520 CB GLN A 35 49.061 -17.065 15.247 1.00 10.00 C ATOM 521 CG GLN A 35 48.848 -16.988 16.762 1.00 10.00 C ATOM 522 CD GLN A 35 47.577 -16.232 17.139 1.00 10.00 C ATOM 523 OE1 GLN A 35 46.458 -16.689 16.942 1.00 10.00 O ATOM 524 NE2 GLN A 35 47.703 -15.053 17.706 1.00 10.00 N ATOM 0 H GLN A 35 51.048 -15.643 15.608 1.00 10.00 H new ATOM 0 HA GLN A 35 50.720 -18.429 15.458 1.00 10.00 H new ATOM 0 HB2 GLN A 35 48.878 -16.085 14.805 1.00 10.00 H new ATOM 0 HB3 GLN A 35 48.333 -17.751 14.813 1.00 10.00 H new ATOM 0 HG2 GLN A 35 48.800 -17.998 17.170 1.00 10.00 H new ATOM 0 HG3 GLN A 35 49.707 -16.499 17.221 1.00 10.00 H new ATOM 0 HE21 GLN A 35 48.631 -14.664 17.874 1.00 10.00 H new ATOM 0 HE22 GLN A 35 46.873 -14.527 17.978 1.00 10.00 H new ATOM 533 N LEU A 36 50.733 -16.890 12.537 1.00 10.00 N ATOM 534 CA LEU A 36 50.876 -17.072 11.094 1.00 10.00 C ATOM 535 C LEU A 36 52.227 -17.674 10.688 1.00 10.00 C ATOM 536 O LEU A 36 52.268 -18.524 9.803 1.00 10.00 O ATOM 537 CB LEU A 36 50.599 -15.738 10.417 1.00 10.00 C ATOM 538 CG LEU A 36 50.469 -15.886 8.897 1.00 10.00 C ATOM 539 CD1 LEU A 36 49.344 -16.794 8.396 1.00 10.00 C ATOM 540 CD2 LEU A 36 50.146 -14.499 8.387 1.00 10.00 C ATOM 0 H LEU A 36 50.777 -15.914 12.829 1.00 10.00 H new ATOM 0 HA LEU A 36 50.148 -17.810 10.757 1.00 10.00 H new ATOM 0 HB2 LEU A 36 49.681 -15.310 10.820 1.00 10.00 H new ATOM 0 HB3 LEU A 36 51.404 -15.040 10.647 1.00 10.00 H new ATOM 0 HG LEU A 36 51.397 -16.337 8.546 1.00 10.00 H new ATOM 0 HD11 LEU A 36 49.354 -16.818 7.306 1.00 10.00 H new ATOM 0 HD12 LEU A 36 49.491 -17.802 8.783 1.00 10.00 H new ATOM 0 HD13 LEU A 36 48.385 -16.409 8.742 1.00 10.00 H new ATOM 0 HD21 LEU A 36 50.038 -14.526 7.303 1.00 10.00 H new ATOM 0 HD22 LEU A 36 49.215 -14.154 8.836 1.00 10.00 H new ATOM 0 HD23 LEU A 36 50.952 -13.816 8.654 1.00 10.00 H new ATOM 552 N GLN A 37 53.319 -17.303 11.355 1.00 10.00 N ATOM 553 CA GLN A 37 54.631 -17.932 11.174 1.00 10.00 C ATOM 554 C GLN A 37 54.646 -19.380 11.679 1.00 10.00 C ATOM 555 O GLN A 37 55.297 -20.225 11.070 1.00 10.00 O ATOM 556 CB GLN A 37 55.721 -17.098 11.865 1.00 10.00 C ATOM 557 CG GLN A 37 56.038 -15.813 11.080 1.00 10.00 C ATOM 558 CD GLN A 37 57.068 -14.919 11.773 1.00 10.00 C ATOM 559 OE1 GLN A 37 57.207 -14.878 12.990 1.00 10.00 O ATOM 560 NE2 GLN A 37 57.841 -14.160 11.023 1.00 10.00 N ATOM 0 H GLN A 37 53.320 -16.550 12.043 1.00 10.00 H new ATOM 0 HA GLN A 37 54.839 -17.965 10.105 1.00 10.00 H new ATOM 0 HB2 GLN A 37 55.396 -16.838 12.873 1.00 10.00 H new ATOM 0 HB3 GLN A 37 56.627 -17.695 11.966 1.00 10.00 H new ATOM 0 HG2 GLN A 37 56.408 -16.082 10.091 1.00 10.00 H new ATOM 0 HG3 GLN A 37 55.117 -15.248 10.934 1.00 10.00 H new ATOM 0 HE21 GLN A 37 57.743 -14.178 10.008 1.00 10.00 H new ATOM 0 HE22 GLN A 37 58.537 -13.555 11.458 1.00 10.00 H new ATOM 569 N ASP A 38 53.890 -19.705 12.731 1.00 10.00 N ATOM 570 CA ASP A 38 53.665 -21.096 13.143 1.00 10.00 C ATOM 571 C ASP A 38 52.906 -21.863 12.054 1.00 10.00 C ATOM 572 O ASP A 38 53.318 -22.962 11.682 1.00 10.00 O ATOM 573 CB ASP A 38 52.929 -21.173 14.489 1.00 10.00 C ATOM 574 CG ASP A 38 52.816 -22.629 14.978 1.00 10.00 C ATOM 575 OD1 ASP A 38 51.819 -23.314 14.643 1.00 10.00 O ATOM 576 OD2 ASP A 38 53.727 -23.088 15.708 1.00 10.00 O ATOM 0 H ASP A 38 53.419 -19.017 13.319 1.00 10.00 H new ATOM 0 HA ASP A 38 54.639 -21.567 13.279 1.00 10.00 H new ATOM 0 HB2 ASP A 38 53.460 -20.577 15.232 1.00 10.00 H new ATOM 0 HB3 ASP A 38 51.933 -20.742 14.387 1.00 10.00 H new ATOM 581 N ALA A 39 51.880 -21.246 11.452 1.00 10.00 N ATOM 582 CA ALA A 39 51.191 -21.819 10.296 1.00 10.00 C ATOM 583 C ALA A 39 52.158 -22.073 9.140 1.00 10.00 C ATOM 584 O ALA A 39 52.170 -23.162 8.578 1.00 10.00 O ATOM 585 CB ALA A 39 50.022 -20.938 9.820 1.00 10.00 C ATOM 0 H ALA A 39 51.510 -20.344 11.752 1.00 10.00 H new ATOM 0 HA ALA A 39 50.779 -22.773 10.625 1.00 10.00 H new ATOM 0 HB1 ALA A 39 49.541 -21.405 8.960 1.00 10.00 H new ATOM 0 HB2 ALA A 39 49.297 -20.829 10.626 1.00 10.00 H new ATOM 0 HB3 ALA A 39 50.399 -19.955 9.536 1.00 10.00 H new ATOM 591 N GLN A 40 53.005 -21.090 8.841 1.00 10.00 N ATOM 592 CA GLN A 40 54.000 -21.138 7.774 1.00 10.00 C ATOM 593 C GLN A 40 55.113 -22.154 8.055 1.00 10.00 C ATOM 594 O GLN A 40 55.714 -22.646 7.111 1.00 10.00 O ATOM 595 CB GLN A 40 54.587 -19.728 7.574 1.00 10.00 C ATOM 596 CG GLN A 40 55.190 -19.538 6.172 1.00 10.00 C ATOM 597 CD GLN A 40 55.731 -18.123 5.965 1.00 10.00 C ATOM 598 OE1 GLN A 40 56.604 -17.650 6.682 1.00 10.00 O ATOM 599 NE2 GLN A 40 55.248 -17.387 4.986 1.00 10.00 N ATOM 0 H GLN A 40 53.017 -20.208 9.353 1.00 10.00 H new ATOM 0 HA GLN A 40 53.505 -21.470 6.861 1.00 10.00 H new ATOM 0 HB2 GLN A 40 53.805 -18.986 7.734 1.00 10.00 H new ATOM 0 HB3 GLN A 40 55.356 -19.548 8.325 1.00 10.00 H new ATOM 0 HG2 GLN A 40 55.994 -20.258 6.023 1.00 10.00 H new ATOM 0 HG3 GLN A 40 54.430 -19.749 5.419 1.00 10.00 H new ATOM 0 HE21 GLN A 40 54.521 -17.762 4.377 1.00 10.00 H new ATOM 0 HE22 GLN A 40 55.601 -16.442 4.836 1.00 10.00 H new ATOM 608 N ALA A 41 55.408 -22.484 9.315 1.00 10.00 N ATOM 609 CA ALA A 41 56.292 -23.592 9.698 1.00 10.00 C ATOM 610 C ALA A 41 55.625 -24.970 9.662 1.00 10.00 C ATOM 611 O ALA A 41 56.260 -25.927 9.216 1.00 10.00 O ATOM 612 CB ALA A 41 56.947 -23.295 11.041 1.00 10.00 C ATOM 0 H ALA A 41 55.031 -21.978 10.116 1.00 10.00 H new ATOM 0 HA ALA A 41 57.068 -23.656 8.935 1.00 10.00 H new ATOM 0 HB1 ALA A 41 57.601 -24.122 11.318 1.00 10.00 H new ATOM 0 HB2 ALA A 41 57.533 -22.379 10.966 1.00 10.00 H new ATOM 0 HB3 ALA A 41 56.177 -23.171 11.802 1.00 10.00 H new ATOM 618 N ASN A 42 54.346 -25.092 10.031 1.00 10.00 N ATOM 619 CA ASN A 42 53.599 -26.332 9.798 1.00 10.00 C ATOM 620 C ASN A 42 53.494 -26.561 8.281 1.00 10.00 C ATOM 621 O ASN A 42 53.592 -27.691 7.800 1.00 10.00 O ATOM 622 CB ASN A 42 52.226 -26.300 10.505 1.00 10.00 C ATOM 623 CG ASN A 42 52.306 -25.939 11.987 1.00 10.00 C ATOM 624 OD1 ASN A 42 53.240 -26.294 12.696 1.00 10.00 O ATOM 625 ND2 ASN A 42 51.327 -25.230 12.503 1.00 10.00 N ATOM 0 H ASN A 42 53.810 -24.354 10.488 1.00 10.00 H new ATOM 0 HA ASN A 42 54.128 -27.179 10.235 1.00 10.00 H new ATOM 0 HB2 ASN A 42 51.584 -25.579 9.999 1.00 10.00 H new ATOM 0 HB3 ASN A 42 51.752 -27.276 10.403 1.00 10.00 H new ATOM 0 HD21 ASN A 42 51.346 -24.977 13.491 1.00 10.00 H new ATOM 0 HD22 ASN A 42 50.548 -24.933 11.916 1.00 10.00 H new ATOM 632 N LEU A 43 53.402 -25.463 7.520 1.00 10.00 N ATOM 633 CA LEU A 43 53.519 -25.439 6.081 1.00 10.00 C ATOM 634 C LEU A 43 54.955 -25.681 5.623 1.00 10.00 C ATOM 635 O LEU A 43 55.160 -26.382 4.658 1.00 10.00 O ATOM 636 CB LEU A 43 52.968 -24.101 5.548 1.00 10.00 C ATOM 637 CG LEU A 43 52.411 -24.248 4.143 1.00 10.00 C ATOM 638 CD1 LEU A 43 51.151 -25.084 4.238 1.00 10.00 C ATOM 639 CD2 LEU A 43 52.003 -22.929 3.511 1.00 10.00 C ATOM 0 H LEU A 43 53.238 -24.538 7.918 1.00 10.00 H new ATOM 0 HA LEU A 43 52.927 -26.255 5.667 1.00 10.00 H new ATOM 0 HB2 LEU A 43 52.186 -23.737 6.214 1.00 10.00 H new ATOM 0 HB3 LEU A 43 53.761 -23.353 5.550 1.00 10.00 H new ATOM 0 HG LEU A 43 53.196 -24.691 3.531 1.00 10.00 H new ATOM 0 HD11 LEU A 43 50.722 -25.210 3.244 1.00 10.00 H new ATOM 0 HD12 LEU A 43 51.393 -26.061 4.656 1.00 10.00 H new ATOM 0 HD13 LEU A 43 50.429 -24.583 4.883 1.00 10.00 H new ATOM 0 HD21 LEU A 43 51.614 -23.110 2.509 1.00 10.00 H new ATOM 0 HD22 LEU A 43 51.231 -22.457 4.119 1.00 10.00 H new ATOM 0 HD23 LEU A 43 52.870 -22.271 3.450 1.00 10.00 H new ATOM 651 N THR A 44 55.981 -25.205 6.314 1.00 10.00 N ATOM 652 CA THR A 44 57.372 -25.467 5.910 1.00 10.00 C ATOM 653 C THR A 44 57.687 -26.962 5.965 1.00 10.00 C ATOM 654 O THR A 44 58.381 -27.497 5.096 1.00 10.00 O ATOM 655 CB THR A 44 58.381 -24.702 6.770 1.00 10.00 C ATOM 656 OG1 THR A 44 58.317 -23.319 6.496 1.00 10.00 O ATOM 657 CG2 THR A 44 59.800 -25.160 6.481 1.00 10.00 C ATOM 0 H THR A 44 55.886 -24.636 7.155 1.00 10.00 H new ATOM 0 HA THR A 44 57.466 -25.114 4.883 1.00 10.00 H new ATOM 0 HB THR A 44 58.128 -24.899 7.812 1.00 10.00 H new ATOM 0 HG1 THR A 44 57.439 -22.973 6.762 1.00 10.00 H new ATOM 0 HG21 THR A 44 60.497 -24.601 7.105 1.00 10.00 H new ATOM 0 HG22 THR A 44 59.891 -26.224 6.700 1.00 10.00 H new ATOM 0 HG23 THR A 44 60.032 -24.984 5.431 1.00 10.00 H new ATOM 665 N LYS A 45 57.151 -27.646 6.979 1.00 10.00 N ATOM 666 CA LYS A 45 57.255 -29.103 7.125 1.00 10.00 C ATOM 667 C LYS A 45 56.611 -29.873 5.965 1.00 10.00 C ATOM 668 O LYS A 45 57.121 -30.928 5.583 1.00 10.00 O ATOM 669 CB LYS A 45 56.662 -29.509 8.479 1.00 10.00 C ATOM 670 CG LYS A 45 57.544 -29.096 9.669 1.00 10.00 C ATOM 671 CD LYS A 45 56.947 -29.489 11.029 1.00 10.00 C ATOM 672 CE LYS A 45 56.855 -31.011 11.210 1.00 10.00 C ATOM 673 NZ LYS A 45 56.400 -31.375 12.578 1.00 10.00 N ATOM 0 H LYS A 45 56.626 -27.200 7.731 1.00 10.00 H new ATOM 0 HA LYS A 45 58.310 -29.374 7.092 1.00 10.00 H new ATOM 0 HB2 LYS A 45 55.677 -29.055 8.589 1.00 10.00 H new ATOM 0 HB3 LYS A 45 56.519 -30.589 8.498 1.00 10.00 H new ATOM 0 HG2 LYS A 45 58.526 -29.558 9.563 1.00 10.00 H new ATOM 0 HG3 LYS A 45 57.695 -28.017 9.644 1.00 10.00 H new ATOM 0 HD2 LYS A 45 57.559 -29.067 11.827 1.00 10.00 H new ATOM 0 HD3 LYS A 45 55.952 -29.054 11.126 1.00 10.00 H new ATOM 0 HE2 LYS A 45 56.164 -31.424 10.475 1.00 10.00 H new ATOM 0 HE3 LYS A 45 57.830 -31.460 11.019 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 56.350 -32.410 12.663 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 57.073 -31.002 13.278 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 55.459 -30.967 12.751 1.00 10.00 H new ATOM 687 N ASN A 46 55.545 -29.334 5.370 1.00 10.00 N ATOM 688 CA ASN A 46 54.925 -29.820 4.147 1.00 10.00 C ATOM 689 C ASN A 46 54.240 -28.681 3.352 1.00 10.00 C ATOM 690 O ASN A 46 53.073 -28.378 3.616 1.00 10.00 O ATOM 691 CB ASN A 46 54.008 -30.977 4.524 1.00 10.00 C ATOM 692 CG ASN A 46 53.506 -31.745 3.301 1.00 10.00 C ATOM 693 OD1 ASN A 46 53.519 -31.275 2.170 1.00 10.00 O ATOM 694 ND2 ASN A 46 53.091 -32.979 3.478 1.00 10.00 N ATOM 0 H ASN A 46 55.074 -28.512 5.748 1.00 10.00 H new ATOM 0 HA ASN A 46 55.674 -30.196 3.450 1.00 10.00 H new ATOM 0 HB2 ASN A 46 54.542 -31.660 5.185 1.00 10.00 H new ATOM 0 HB3 ASN A 46 53.155 -30.594 5.084 1.00 10.00 H new ATOM 0 HD21 ASN A 46 52.785 -33.534 2.679 1.00 10.00 H new ATOM 0 HD22 ASN A 46 53.075 -33.382 4.415 1.00 10.00 H new ATOM 701 N PRO A 47 54.971 -28.009 2.430 1.00 10.00 N ATOM 702 CA PRO A 47 54.538 -26.777 1.755 1.00 10.00 C ATOM 703 C PRO A 47 53.143 -26.740 1.138 1.00 10.00 C ATOM 704 O PRO A 47 52.578 -25.652 1.023 1.00 10.00 O ATOM 705 CB PRO A 47 55.619 -26.481 0.735 1.00 10.00 C ATOM 706 CG PRO A 47 56.887 -26.939 1.447 1.00 10.00 C ATOM 707 CD PRO A 47 56.420 -28.132 2.280 1.00 10.00 C ATOM 0 HA PRO A 47 54.422 -26.010 2.521 1.00 10.00 H new ATOM 0 HB2 PRO A 47 55.458 -27.026 -0.195 1.00 10.00 H new ATOM 0 HB3 PRO A 47 55.657 -25.422 0.482 1.00 10.00 H new ATOM 0 HG2 PRO A 47 57.664 -27.225 0.738 1.00 10.00 H new ATOM 0 HG3 PRO A 47 57.302 -26.150 2.074 1.00 10.00 H new ATOM 0 HD2 PRO A 47 56.678 -29.070 1.789 1.00 10.00 H new ATOM 0 HD3 PRO A 47 56.909 -28.137 3.254 1.00 10.00 H new ATOM 715 N SER A 48 52.558 -27.886 0.782 1.00 10.00 N ATOM 716 CA SER A 48 51.179 -27.985 0.351 1.00 10.00 C ATOM 717 C SER A 48 50.335 -29.056 1.039 1.00 10.00 C ATOM 718 O SER A 48 49.366 -29.568 0.472 1.00 10.00 O ATOM 719 CB SER A 48 51.175 -28.017 -1.162 1.00 10.00 C ATOM 720 OG SER A 48 51.724 -29.227 -1.671 1.00 10.00 O ATOM 0 H SER A 48 53.046 -28.782 0.788 1.00 10.00 H new ATOM 0 HA SER A 48 50.642 -27.100 0.692 1.00 10.00 H new ATOM 0 HB2 SER A 48 50.153 -27.902 -1.524 1.00 10.00 H new ATOM 0 HB3 SER A 48 51.746 -27.171 -1.544 1.00 10.00 H new ATOM 0 HG SER A 48 51.702 -29.210 -2.651 1.00 10.00 H new ATOM 726 N ASP A 49 50.690 -29.380 2.286 1.00 10.00 N ATOM 727 CA ASP A 49 49.838 -30.183 3.170 1.00 10.00 C ATOM 728 C ASP A 49 48.530 -29.390 3.308 1.00 10.00 C ATOM 729 O ASP A 49 48.562 -28.215 3.676 1.00 10.00 O ATOM 730 CB ASP A 49 50.539 -30.462 4.508 1.00 10.00 C ATOM 731 CG ASP A 49 49.635 -31.011 5.633 1.00 10.00 C ATOM 732 OD1 ASP A 49 48.566 -30.428 5.923 1.00 10.00 O ATOM 733 OD2 ASP A 49 50.002 -32.048 6.236 1.00 10.00 O ATOM 0 H ASP A 49 51.573 -29.095 2.710 1.00 10.00 H new ATOM 0 HA ASP A 49 49.630 -31.174 2.767 1.00 10.00 H new ATOM 0 HB2 ASP A 49 51.345 -31.175 4.334 1.00 10.00 H new ATOM 0 HB3 ASP A 49 51.000 -29.538 4.856 1.00 10.00 H new ATOM 738 N PRO A 50 47.374 -29.975 2.976 1.00 10.00 N ATOM 739 CA PRO A 50 46.145 -29.216 2.851 1.00 10.00 C ATOM 740 C PRO A 50 45.579 -28.680 4.159 1.00 10.00 C ATOM 741 O PRO A 50 44.918 -27.651 4.124 1.00 10.00 O ATOM 742 CB PRO A 50 45.171 -30.149 2.164 1.00 10.00 C ATOM 743 CG PRO A 50 45.668 -31.554 2.512 1.00 10.00 C ATOM 744 CD PRO A 50 47.176 -31.372 2.657 1.00 10.00 C ATOM 0 HA PRO A 50 46.339 -28.306 2.283 1.00 10.00 H new ATOM 0 HB2 PRO A 50 44.153 -29.990 2.519 1.00 10.00 H new ATOM 0 HB3 PRO A 50 45.162 -29.988 1.086 1.00 10.00 H new ATOM 0 HG2 PRO A 50 45.218 -31.922 3.434 1.00 10.00 H new ATOM 0 HG3 PRO A 50 45.424 -32.272 1.729 1.00 10.00 H new ATOM 0 HD2 PRO A 50 47.574 -32.013 3.444 1.00 10.00 H new ATOM 0 HD3 PRO A 50 47.693 -31.640 1.736 1.00 10.00 H new ATOM 752 N THR A 51 45.846 -29.306 5.302 1.00 10.00 N ATOM 753 CA THR A 51 45.499 -28.753 6.621 1.00 10.00 C ATOM 754 C THR A 51 46.481 -27.670 7.030 1.00 10.00 C ATOM 755 O THR A 51 46.047 -26.643 7.530 1.00 10.00 O ATOM 756 CB THR A 51 45.499 -29.865 7.664 1.00 10.00 C ATOM 757 OG1 THR A 51 44.355 -30.680 7.493 1.00 10.00 O ATOM 758 CG2 THR A 51 45.526 -29.361 9.104 1.00 10.00 C ATOM 0 H THR A 51 46.310 -30.213 5.347 1.00 10.00 H new ATOM 0 HA THR A 51 44.504 -28.312 6.556 1.00 10.00 H new ATOM 0 HB THR A 51 46.419 -30.427 7.503 1.00 10.00 H new ATOM 0 HG1 THR A 51 44.359 -31.394 8.164 1.00 10.00 H new ATOM 0 HG21 THR A 51 45.524 -30.211 9.787 1.00 10.00 H new ATOM 0 HG22 THR A 51 46.426 -28.768 9.265 1.00 10.00 H new ATOM 0 HG23 THR A 51 44.647 -28.744 9.290 1.00 10.00 H new ATOM 766 N ALA A 52 47.780 -27.835 6.792 1.00 10.00 N ATOM 767 CA ALA A 52 48.769 -26.774 6.965 1.00 10.00 C ATOM 768 C ALA A 52 48.434 -25.543 6.129 1.00 10.00 C ATOM 769 O ALA A 52 48.532 -24.414 6.609 1.00 10.00 O ATOM 770 CB ALA A 52 50.135 -27.369 6.595 1.00 10.00 C ATOM 0 H ALA A 52 48.179 -28.717 6.471 1.00 10.00 H new ATOM 0 HA ALA A 52 48.777 -26.425 7.998 1.00 10.00 H new ATOM 0 HB1 ALA A 52 50.907 -26.608 6.710 1.00 10.00 H new ATOM 0 HB2 ALA A 52 50.355 -28.211 7.251 1.00 10.00 H new ATOM 0 HB3 ALA A 52 50.115 -27.711 5.560 1.00 10.00 H new ATOM 776 N LEU A 53 48.000 -25.760 4.895 1.00 10.00 N ATOM 777 CA LEU A 53 47.684 -24.706 3.948 1.00 10.00 C ATOM 778 C LEU A 53 46.306 -24.110 4.239 1.00 10.00 C ATOM 779 O LEU A 53 46.147 -22.897 4.176 1.00 10.00 O ATOM 780 CB LEU A 53 47.854 -25.316 2.550 1.00 10.00 C ATOM 781 CG LEU A 53 48.047 -24.367 1.357 1.00 10.00 C ATOM 782 CD1 LEU A 53 48.596 -22.996 1.716 1.00 10.00 C ATOM 783 CD2 LEU A 53 49.083 -25.017 0.444 1.00 10.00 C ATOM 0 H LEU A 53 47.855 -26.697 4.518 1.00 10.00 H new ATOM 0 HA LEU A 53 48.353 -23.849 4.028 1.00 10.00 H new ATOM 0 HB2 LEU A 53 48.712 -25.987 2.583 1.00 10.00 H new ATOM 0 HB3 LEU A 53 46.977 -25.930 2.347 1.00 10.00 H new ATOM 0 HG LEU A 53 47.064 -24.215 0.911 1.00 10.00 H new ATOM 0 HD11 LEU A 53 48.698 -22.397 0.811 1.00 10.00 H new ATOM 0 HD12 LEU A 53 47.913 -22.499 2.405 1.00 10.00 H new ATOM 0 HD13 LEU A 53 49.571 -23.107 2.190 1.00 10.00 H new ATOM 0 HD21 LEU A 53 49.256 -24.379 -0.422 1.00 10.00 H new ATOM 0 HD22 LEU A 53 50.017 -25.149 0.990 1.00 10.00 H new ATOM 0 HD23 LEU A 53 48.717 -25.988 0.112 1.00 10.00 H new ATOM 795 N ALA A 54 45.341 -24.927 4.671 1.00 10.00 N ATOM 796 CA ALA A 54 44.063 -24.464 5.202 1.00 10.00 C ATOM 797 C ALA A 54 44.273 -23.609 6.459 1.00 10.00 C ATOM 798 O ALA A 54 43.651 -22.562 6.614 1.00 10.00 O ATOM 799 CB ALA A 54 43.188 -25.683 5.538 1.00 10.00 C ATOM 0 H ALA A 54 45.431 -25.943 4.660 1.00 10.00 H new ATOM 0 HA ALA A 54 43.569 -23.848 4.451 1.00 10.00 H new ATOM 0 HB1 ALA A 54 42.231 -25.345 5.936 1.00 10.00 H new ATOM 0 HB2 ALA A 54 43.019 -26.270 4.635 1.00 10.00 H new ATOM 0 HB3 ALA A 54 43.693 -26.299 6.282 1.00 10.00 H new ATOM 805 N ASN A 55 45.186 -24.036 7.333 1.00 10.00 N ATOM 806 CA ASN A 55 45.547 -23.366 8.574 1.00 10.00 C ATOM 807 C ASN A 55 46.200 -22.013 8.297 1.00 10.00 C ATOM 808 O ASN A 55 45.725 -20.985 8.768 1.00 10.00 O ATOM 809 CB ASN A 55 46.481 -24.300 9.358 1.00 10.00 C ATOM 810 CG ASN A 55 47.081 -23.704 10.604 1.00 10.00 C ATOM 811 OD1 ASN A 55 46.397 -23.343 11.548 1.00 10.00 O ATOM 812 ND2 ASN A 55 48.389 -23.617 10.632 1.00 10.00 N ATOM 0 H ASN A 55 45.714 -24.896 7.185 1.00 10.00 H new ATOM 0 HA ASN A 55 44.656 -23.159 9.166 1.00 10.00 H new ATOM 0 HB2 ASN A 55 45.925 -25.196 9.634 1.00 10.00 H new ATOM 0 HB3 ASN A 55 47.290 -24.616 8.699 1.00 10.00 H new ATOM 0 HD21 ASN A 55 48.858 -23.241 11.456 1.00 10.00 H new ATOM 0 HD22 ASN A 55 48.938 -23.926 9.830 1.00 10.00 H new ATOM 819 N TYR A 56 47.250 -22.011 7.475 1.00 10.00 N ATOM 820 CA TYR A 56 47.877 -20.778 6.976 1.00 10.00 C ATOM 821 C TYR A 56 46.885 -19.866 6.266 1.00 10.00 C ATOM 822 O TYR A 56 46.839 -18.695 6.609 1.00 10.00 O ATOM 823 CB TYR A 56 49.103 -21.150 6.131 1.00 10.00 C ATOM 824 CG TYR A 56 49.898 -20.077 5.410 1.00 10.00 C ATOM 825 CD1 TYR A 56 50.863 -19.330 6.116 1.00 10.00 C ATOM 826 CD2 TYR A 56 49.845 -19.994 4.005 1.00 10.00 C ATOM 827 CE1 TYR A 56 51.804 -18.550 5.421 1.00 10.00 C ATOM 828 CE2 TYR A 56 50.792 -19.221 3.303 1.00 10.00 C ATOM 829 CZ TYR A 56 51.797 -18.526 4.011 1.00 10.00 C ATOM 830 OH TYR A 56 52.759 -17.822 3.352 1.00 10.00 O ATOM 0 H TYR A 56 47.693 -22.864 7.134 1.00 10.00 H new ATOM 0 HA TYR A 56 48.224 -20.179 7.818 1.00 10.00 H new ATOM 0 HB2 TYR A 56 49.796 -21.678 6.786 1.00 10.00 H new ATOM 0 HB3 TYR A 56 48.769 -21.864 5.378 1.00 10.00 H new ATOM 0 HD1 TYR A 56 50.879 -19.357 7.196 1.00 10.00 H new ATOM 0 HD2 TYR A 56 49.076 -20.525 3.463 1.00 10.00 H new ATOM 0 HE1 TYR A 56 52.532 -17.969 5.967 1.00 10.00 H new ATOM 0 HE2 TYR A 56 50.749 -19.160 2.226 1.00 10.00 H new ATOM 0 HH TYR A 56 52.620 -17.903 2.385 1.00 10.00 H new ATOM 840 N GLN A 57 46.006 -20.364 5.398 1.00 10.00 N ATOM 841 CA GLN A 57 44.987 -19.522 4.751 1.00 10.00 C ATOM 842 C GLN A 57 43.965 -18.946 5.750 1.00 10.00 C ATOM 843 O GLN A 57 43.598 -17.776 5.650 1.00 10.00 O ATOM 844 CB GLN A 57 44.270 -20.284 3.623 1.00 10.00 C ATOM 845 CG GLN A 57 45.125 -20.398 2.348 1.00 10.00 C ATOM 846 CD GLN A 57 45.404 -19.049 1.681 1.00 10.00 C ATOM 847 OE1 GLN A 57 44.529 -18.211 1.497 1.00 10.00 O ATOM 848 NE2 GLN A 57 46.634 -18.773 1.299 1.00 10.00 N ATOM 0 H GLN A 57 45.975 -21.346 5.123 1.00 10.00 H new ATOM 0 HA GLN A 57 45.520 -18.676 4.318 1.00 10.00 H new ATOM 0 HB2 GLN A 57 44.011 -21.283 3.973 1.00 10.00 H new ATOM 0 HB3 GLN A 57 43.335 -19.777 3.385 1.00 10.00 H new ATOM 0 HG2 GLN A 57 46.073 -20.875 2.597 1.00 10.00 H new ATOM 0 HG3 GLN A 57 44.618 -21.049 1.636 1.00 10.00 H new ATOM 0 HE21 GLN A 57 47.378 -19.456 1.442 1.00 10.00 H new ATOM 0 HE22 GLN A 57 46.843 -17.876 0.860 1.00 10.00 H new ATOM 857 N MET A 58 43.533 -19.731 6.740 1.00 10.00 N ATOM 858 CA MET A 58 42.587 -19.319 7.785 1.00 10.00 C ATOM 859 C MET A 58 43.183 -18.267 8.727 1.00 10.00 C ATOM 860 O MET A 58 42.571 -17.223 8.960 1.00 10.00 O ATOM 861 CB MET A 58 42.116 -20.588 8.524 1.00 10.00 C ATOM 862 CG MET A 58 41.154 -20.354 9.694 1.00 10.00 C ATOM 863 SD MET A 58 41.907 -19.896 11.285 1.00 10.00 S ATOM 864 CE MET A 58 42.714 -21.458 11.746 1.00 10.00 C ATOM 0 H MET A 58 43.839 -20.699 6.841 1.00 10.00 H new ATOM 0 HA MET A 58 41.726 -18.826 7.333 1.00 10.00 H new ATOM 0 HB2 MET A 58 41.631 -21.247 7.804 1.00 10.00 H new ATOM 0 HB3 MET A 58 42.993 -21.116 8.898 1.00 10.00 H new ATOM 0 HG2 MET A 58 40.455 -19.568 9.409 1.00 10.00 H new ATOM 0 HG3 MET A 58 40.570 -21.262 9.842 1.00 10.00 H new ATOM 0 HE1 MET A 58 43.083 -21.389 12.769 1.00 10.00 H new ATOM 0 HE2 MET A 58 41.995 -22.274 11.674 1.00 10.00 H new ATOM 0 HE3 MET A 58 43.549 -21.649 11.072 1.00 10.00 H new ATOM 874 N ILE A 59 44.409 -18.485 9.202 1.00 10.00 N ATOM 875 CA ILE A 59 45.136 -17.539 10.036 1.00 10.00 C ATOM 876 C ILE A 59 45.518 -16.304 9.218 1.00 10.00 C ATOM 877 O ILE A 59 45.469 -15.195 9.739 1.00 10.00 O ATOM 878 CB ILE A 59 46.353 -18.262 10.635 1.00 10.00 C ATOM 879 CG1 ILE A 59 45.904 -19.363 11.624 1.00 10.00 C ATOM 880 CG2 ILE A 59 47.296 -17.318 11.379 1.00 10.00 C ATOM 881 CD1 ILE A 59 47.077 -20.217 12.100 1.00 10.00 C ATOM 0 H ILE A 59 44.931 -19.341 9.012 1.00 10.00 H new ATOM 0 HA ILE A 59 44.516 -17.181 10.858 1.00 10.00 H new ATOM 0 HB ILE A 59 46.887 -18.694 9.789 1.00 10.00 H new ATOM 0 HG12 ILE A 59 45.419 -18.902 12.484 1.00 10.00 H new ATOM 0 HG13 ILE A 59 45.162 -20.001 11.144 1.00 10.00 H new ATOM 0 HG21 ILE A 59 48.136 -17.885 11.780 1.00 10.00 H new ATOM 0 HG22 ILE A 59 47.666 -16.557 10.692 1.00 10.00 H new ATOM 0 HG23 ILE A 59 46.759 -16.837 12.197 1.00 10.00 H new ATOM 0 HD11 ILE A 59 46.716 -20.977 12.793 1.00 10.00 H new ATOM 0 HD12 ILE A 59 47.546 -20.700 11.243 1.00 10.00 H new ATOM 0 HD13 ILE A 59 47.807 -19.584 12.604 1.00 10.00 H new ATOM 893 N MET A 60 45.842 -16.459 7.933 1.00 10.00 N ATOM 894 CA MET A 60 46.156 -15.338 7.048 1.00 10.00 C ATOM 895 C MET A 60 44.936 -14.470 6.737 1.00 10.00 C ATOM 896 O MET A 60 45.067 -13.254 6.629 1.00 10.00 O ATOM 897 CB MET A 60 46.813 -15.818 5.755 1.00 10.00 C ATOM 898 CG MET A 60 47.570 -14.672 5.096 1.00 10.00 C ATOM 899 SD MET A 60 48.578 -15.177 3.684 1.00 10.00 S ATOM 900 CE MET A 60 49.915 -15.949 4.629 1.00 10.00 C ATOM 0 H MET A 60 45.894 -17.369 7.476 1.00 10.00 H new ATOM 0 HA MET A 60 46.866 -14.713 7.590 1.00 10.00 H new ATOM 0 HB2 MET A 60 47.496 -16.640 5.968 1.00 10.00 H new ATOM 0 HB3 MET A 60 46.054 -16.203 5.073 1.00 10.00 H new ATOM 0 HG2 MET A 60 46.855 -13.918 4.768 1.00 10.00 H new ATOM 0 HG3 MET A 60 48.213 -14.200 5.839 1.00 10.00 H new ATOM 0 HE1 MET A 60 50.813 -16.001 4.013 1.00 10.00 H new ATOM 0 HE2 MET A 60 50.120 -15.356 5.520 1.00 10.00 H new ATOM 0 HE3 MET A 60 49.618 -16.956 4.924 1.00 10.00 H new ATOM 910 N SER A 61 43.749 -15.071 6.647 1.00 10.00 N ATOM 911 CA SER A 61 42.477 -14.345 6.563 1.00 10.00 C ATOM 912 C SER A 61 42.291 -13.438 7.787 1.00 10.00 C ATOM 913 O SER A 61 42.047 -12.239 7.640 1.00 10.00 O ATOM 914 CB SER A 61 41.319 -15.339 6.407 1.00 10.00 C ATOM 915 OG SER A 61 40.103 -14.648 6.165 1.00 10.00 O ATOM 0 H SER A 61 43.640 -16.085 6.630 1.00 10.00 H new ATOM 0 HA SER A 61 42.487 -13.701 5.684 1.00 10.00 H new ATOM 0 HB2 SER A 61 41.526 -16.022 5.584 1.00 10.00 H new ATOM 0 HB3 SER A 61 41.227 -15.945 7.309 1.00 10.00 H new ATOM 0 HG SER A 61 39.373 -15.295 6.066 1.00 10.00 H new ATOM 921 N GLU A 62 42.521 -13.965 8.997 1.00 10.00 N ATOM 922 CA GLU A 62 42.510 -13.172 10.236 1.00 10.00 C ATOM 923 C GLU A 62 43.633 -12.125 10.302 1.00 10.00 C ATOM 924 O GLU A 62 43.385 -10.976 10.670 1.00 10.00 O ATOM 925 CB GLU A 62 42.569 -14.088 11.471 1.00 10.00 C ATOM 926 CG GLU A 62 41.304 -14.942 11.625 1.00 10.00 C ATOM 927 CD GLU A 62 41.223 -15.576 13.029 1.00 10.00 C ATOM 928 OE1 GLU A 62 42.085 -16.416 13.381 1.00 10.00 O ATOM 929 OE2 GLU A 62 40.290 -15.233 13.797 1.00 10.00 O ATOM 0 H GLU A 62 42.720 -14.954 9.146 1.00 10.00 H new ATOM 0 HA GLU A 62 41.569 -12.623 10.232 1.00 10.00 H new ATOM 0 HB2 GLU A 62 43.438 -14.741 11.395 1.00 10.00 H new ATOM 0 HB3 GLU A 62 42.705 -13.480 12.365 1.00 10.00 H new ATOM 0 HG2 GLU A 62 40.423 -14.325 11.451 1.00 10.00 H new ATOM 0 HG3 GLU A 62 41.298 -15.727 10.868 1.00 10.00 H new ATOM 936 N TYR A 63 44.850 -12.492 9.900 1.00 10.00 N ATOM 937 CA TYR A 63 46.013 -11.603 9.858 1.00 10.00 C ATOM 938 C TYR A 63 45.781 -10.404 8.941 1.00 10.00 C ATOM 939 O TYR A 63 45.985 -9.260 9.346 1.00 10.00 O ATOM 940 CB TYR A 63 47.252 -12.396 9.414 1.00 10.00 C ATOM 941 CG TYR A 63 48.499 -11.564 9.193 1.00 10.00 C ATOM 942 CD1 TYR A 63 49.225 -11.043 10.282 1.00 10.00 C ATOM 943 CD2 TYR A 63 48.953 -11.349 7.878 1.00 10.00 C ATOM 944 CE1 TYR A 63 50.408 -10.312 10.053 1.00 10.00 C ATOM 945 CE2 TYR A 63 50.139 -10.632 7.645 1.00 10.00 C ATOM 946 CZ TYR A 63 50.871 -10.105 8.734 1.00 10.00 C ATOM 947 OH TYR A 63 52.006 -9.382 8.521 1.00 10.00 O ATOM 0 H TYR A 63 45.060 -13.440 9.586 1.00 10.00 H new ATOM 0 HA TYR A 63 46.176 -11.209 10.861 1.00 10.00 H new ATOM 0 HB2 TYR A 63 47.468 -13.155 10.166 1.00 10.00 H new ATOM 0 HB3 TYR A 63 47.016 -12.922 8.489 1.00 10.00 H new ATOM 0 HD1 TYR A 63 48.875 -11.204 11.291 1.00 10.00 H new ATOM 0 HD2 TYR A 63 48.387 -11.737 7.044 1.00 10.00 H new ATOM 0 HE1 TYR A 63 50.962 -9.909 10.888 1.00 10.00 H new ATOM 0 HE2 TYR A 63 50.491 -10.484 6.635 1.00 10.00 H new ATOM 0 HH TYR A 63 52.188 -9.334 7.559 1.00 10.00 H new ATOM 957 N ASN A 64 45.312 -10.656 7.720 1.00 10.00 N ATOM 958 CA ASN A 64 45.126 -9.621 6.708 1.00 10.00 C ATOM 959 C ASN A 64 43.981 -8.660 7.093 1.00 10.00 C ATOM 960 O ASN A 64 44.083 -7.445 6.912 1.00 10.00 O ATOM 961 CB ASN A 64 44.864 -10.286 5.348 1.00 10.00 C ATOM 962 CG ASN A 64 44.773 -9.261 4.229 1.00 10.00 C ATOM 963 OD1 ASN A 64 45.711 -8.529 3.947 1.00 10.00 O ATOM 964 ND2 ASN A 64 43.645 -9.162 3.558 1.00 10.00 N ATOM 0 H ASN A 64 45.049 -11.590 7.405 1.00 10.00 H new ATOM 0 HA ASN A 64 46.033 -9.021 6.641 1.00 10.00 H new ATOM 0 HB2 ASN A 64 45.663 -10.994 5.129 1.00 10.00 H new ATOM 0 HB3 ASN A 64 43.937 -10.857 5.395 1.00 10.00 H new ATOM 0 HD21 ASN A 64 43.557 -8.477 2.807 1.00 10.00 H new ATOM 0 HD22 ASN A 64 42.859 -9.770 3.789 1.00 10.00 H new ATOM 1108 N VAL A 74 44.020 3.613 13.268 1.00 10.00 N ATOM 1109 CA VAL A 74 44.870 4.794 13.102 1.00 10.00 C ATOM 1110 C VAL A 74 44.113 5.945 12.420 1.00 10.00 C ATOM 1111 O VAL A 74 44.123 7.061 12.943 1.00 10.00 O ATOM 1112 CB VAL A 74 46.144 4.369 12.343 1.00 10.00 C ATOM 1113 CG1 VAL A 74 46.909 5.534 11.726 1.00 10.00 C ATOM 1114 CG2 VAL A 74 47.092 3.625 13.292 1.00 10.00 C ATOM 0 HA VAL A 74 45.162 5.188 14.075 1.00 10.00 H new ATOM 0 HB VAL A 74 45.805 3.729 11.529 1.00 10.00 H new ATOM 0 HG11 VAL A 74 47.792 5.157 11.210 1.00 10.00 H new ATOM 0 HG12 VAL A 74 46.267 6.055 11.015 1.00 10.00 H new ATOM 0 HG13 VAL A 74 47.216 6.225 12.512 1.00 10.00 H new ATOM 0 HG21 VAL A 74 47.990 3.327 12.750 1.00 10.00 H new ATOM 0 HG22 VAL A 74 47.367 4.280 14.119 1.00 10.00 H new ATOM 0 HG23 VAL A 74 46.593 2.738 13.683 1.00 10.00 H new ATOM 1124 N LYS A 75 43.415 5.704 11.296 1.00 10.00 N ATOM 1125 CA LYS A 75 42.675 6.761 10.569 1.00 10.00 C ATOM 1126 C LYS A 75 41.460 7.298 11.344 1.00 10.00 C ATOM 1127 O LYS A 75 41.131 8.483 11.239 1.00 10.00 O ATOM 1128 CB LYS A 75 42.308 6.288 9.142 1.00 10.00 C ATOM 1129 CG LYS A 75 40.953 5.573 9.039 1.00 10.00 C ATOM 1130 CD LYS A 75 40.658 5.037 7.632 1.00 10.00 C ATOM 1131 CE LYS A 75 39.347 4.235 7.594 1.00 10.00 C ATOM 1132 NZ LYS A 75 38.171 5.040 8.026 1.00 10.00 N ATOM 0 H LYS A 75 43.345 4.782 10.866 1.00 10.00 H new ATOM 0 HA LYS A 75 43.347 7.614 10.476 1.00 10.00 H new ATOM 0 HB2 LYS A 75 42.301 7.152 8.477 1.00 10.00 H new ATOM 0 HB3 LYS A 75 43.088 5.616 8.783 1.00 10.00 H new ATOM 0 HG2 LYS A 75 40.931 4.745 9.748 1.00 10.00 H new ATOM 0 HG3 LYS A 75 40.162 6.264 9.331 1.00 10.00 H new ATOM 0 HD2 LYS A 75 40.596 5.869 6.931 1.00 10.00 H new ATOM 0 HD3 LYS A 75 41.482 4.404 7.303 1.00 10.00 H new ATOM 0 HE2 LYS A 75 39.179 3.868 6.582 1.00 10.00 H new ATOM 0 HE3 LYS A 75 39.441 3.361 8.239 1.00 10.00 H new ATOM 0 HZ1 LYS A 75 37.295 4.545 7.762 1.00 10.00 H new ATOM 0 HZ2 LYS A 75 38.199 5.169 9.058 1.00 10.00 H new ATOM 0 HZ3 LYS A 75 38.197 5.970 7.560 1.00 10.00 H new ATOM 1146 N SER A 76 40.811 6.443 12.139 1.00 10.00 N ATOM 1147 CA SER A 76 39.536 6.724 12.819 1.00 10.00 C ATOM 1148 C SER A 76 39.682 6.933 14.333 1.00 10.00 C ATOM 1149 O SER A 76 38.670 6.989 15.025 1.00 10.00 O ATOM 1150 CB SER A 76 38.516 5.606 12.536 1.00 10.00 C ATOM 1151 OG SER A 76 38.260 5.446 11.145 1.00 10.00 O ATOM 0 H SER A 76 41.166 5.507 12.335 1.00 10.00 H new ATOM 0 HA SER A 76 39.175 7.667 12.408 1.00 10.00 H new ATOM 0 HB2 SER A 76 38.888 4.666 12.945 1.00 10.00 H new ATOM 0 HB3 SER A 76 37.582 5.831 13.051 1.00 10.00 H new ATOM 0 HG SER A 76 37.609 4.725 11.013 1.00 10.00 H new ATOM 1157 N MET A 77 40.899 7.082 14.880 1.00 10.00 N ATOM 1158 CA MET A 77 41.120 7.301 16.327 1.00 10.00 C ATOM 1159 C MET A 77 40.301 8.469 16.915 1.00 10.00 C ATOM 1160 O MET A 77 39.769 8.354 18.022 1.00 10.00 O ATOM 1161 CB MET A 77 42.625 7.417 16.646 1.00 10.00 C ATOM 1162 CG MET A 77 43.386 8.569 15.968 1.00 10.00 C ATOM 1163 SD MET A 77 43.198 10.232 16.678 1.00 10.00 S ATOM 1164 CE MET A 77 44.018 10.017 18.283 1.00 10.00 C ATOM 0 H MET A 77 41.761 7.055 14.335 1.00 10.00 H new ATOM 0 HA MET A 77 40.737 6.414 16.832 1.00 10.00 H new ATOM 0 HB2 MET A 77 42.737 7.523 17.725 1.00 10.00 H new ATOM 0 HB3 MET A 77 43.106 6.480 16.366 1.00 10.00 H new ATOM 0 HG2 MET A 77 44.447 8.320 15.972 1.00 10.00 H new ATOM 0 HG3 MET A 77 43.073 8.611 14.925 1.00 10.00 H new ATOM 0 HE1 MET A 77 44.191 10.993 18.737 1.00 10.00 H new ATOM 0 HE2 MET A 77 43.384 9.419 18.938 1.00 10.00 H new ATOM 0 HE3 MET A 77 44.972 9.510 18.139 1.00 10.00 H new ATOM 1174 N LYS A 78 40.092 9.533 16.127 1.00 10.00 N ATOM 1175 CA LYS A 78 39.210 10.687 16.404 1.00 10.00 C ATOM 1176 C LYS A 78 37.721 10.349 16.610 1.00 10.00 C ATOM 1177 O LYS A 78 36.957 11.188 17.085 1.00 10.00 O ATOM 1178 CB LYS A 78 39.386 11.733 15.284 1.00 10.00 C ATOM 1179 CG LYS A 78 39.098 11.191 13.869 1.00 10.00 C ATOM 1180 CD LYS A 78 39.138 12.327 12.836 1.00 10.00 C ATOM 1181 CE LYS A 78 38.967 11.831 11.392 1.00 10.00 C ATOM 1182 NZ LYS A 78 40.188 11.162 10.864 1.00 10.00 N ATOM 0 H LYS A 78 40.559 9.621 15.225 1.00 10.00 H new ATOM 0 HA LYS A 78 39.526 11.085 17.368 1.00 10.00 H new ATOM 0 HB2 LYS A 78 38.724 12.576 15.481 1.00 10.00 H new ATOM 0 HB3 LYS A 78 40.406 12.115 15.315 1.00 10.00 H new ATOM 0 HG2 LYS A 78 39.833 10.430 13.609 1.00 10.00 H new ATOM 0 HG3 LYS A 78 38.120 10.709 13.850 1.00 10.00 H new ATOM 0 HD2 LYS A 78 38.350 13.045 13.063 1.00 10.00 H new ATOM 0 HD3 LYS A 78 40.087 12.856 12.923 1.00 10.00 H new ATOM 0 HE2 LYS A 78 38.129 11.135 11.348 1.00 10.00 H new ATOM 0 HE3 LYS A 78 38.714 12.675 10.750 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 40.164 11.167 9.824 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 41.033 11.671 11.194 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 40.221 10.180 11.205 1.00 10.00 H new ATOM 1196 N ASP A 79 37.323 9.125 16.275 1.00 10.00 N ATOM 1197 CA ASP A 79 35.964 8.575 16.349 1.00 10.00 C ATOM 1198 C ASP A 79 35.938 7.216 17.099 1.00 10.00 C ATOM 1199 O ASP A 79 34.971 6.456 17.009 1.00 10.00 O ATOM 1200 CB ASP A 79 35.418 8.483 14.912 1.00 10.00 C ATOM 1201 CG ASP A 79 33.894 8.263 14.852 1.00 10.00 C ATOM 1202 OD1 ASP A 79 33.139 9.049 15.475 1.00 10.00 O ATOM 1203 OD2 ASP A 79 33.439 7.347 14.125 1.00 10.00 O ATOM 0 H ASP A 79 37.987 8.438 15.918 1.00 10.00 H new ATOM 0 HA ASP A 79 35.317 9.229 16.933 1.00 10.00 H new ATOM 0 HB2 ASP A 79 35.667 9.399 14.377 1.00 10.00 H new ATOM 0 HB3 ASP A 79 35.917 7.665 14.393 1.00 10.00 H new ATOM 1208 N ILE A 80 37.009 6.921 17.852 1.00 10.00 N ATOM 1209 CA ILE A 80 37.156 5.764 18.756 1.00 10.00 C ATOM 1210 C ILE A 80 37.463 6.254 20.175 1.00 10.00 C ATOM 1211 O ILE A 80 36.861 5.790 21.140 1.00 10.00 O ATOM 1212 CB ILE A 80 38.250 4.789 18.252 1.00 10.00 C ATOM 1213 CG1 ILE A 80 37.893 4.200 16.865 1.00 10.00 C ATOM 1214 CG2 ILE A 80 38.477 3.640 19.257 1.00 10.00 C ATOM 1215 CD1 ILE A 80 39.060 3.480 16.173 1.00 10.00 C ATOM 0 H ILE A 80 37.840 7.512 17.848 1.00 10.00 H new ATOM 0 HA ILE A 80 36.217 5.211 18.770 1.00 10.00 H new ATOM 0 HB ILE A 80 39.170 5.366 18.158 1.00 10.00 H new ATOM 0 HG12 ILE A 80 37.065 3.500 16.981 1.00 10.00 H new ATOM 0 HG13 ILE A 80 37.542 5.005 16.219 1.00 10.00 H new ATOM 0 HG21 ILE A 80 39.250 2.972 18.877 1.00 10.00 H new ATOM 0 HG22 ILE A 80 38.793 4.052 20.215 1.00 10.00 H new ATOM 0 HG23 ILE A 80 37.549 3.084 19.389 1.00 10.00 H new ATOM 0 HD11 ILE A 80 38.730 3.096 15.208 1.00 10.00 H new ATOM 0 HD12 ILE A 80 39.882 4.180 16.023 1.00 10.00 H new ATOM 0 HD13 ILE A 80 39.398 2.652 16.796 1.00 10.00 H new ATOM 1227 N ASP A 81 38.326 7.262 20.317 1.00 10.00 N ATOM 1228 CA ASP A 81 38.579 7.943 21.595 1.00 10.00 C ATOM 1229 C ASP A 81 37.305 8.591 22.189 1.00 10.00 C ATOM 1230 O ASP A 81 37.183 8.750 23.404 1.00 10.00 O ATOM 1231 CB ASP A 81 39.683 8.989 21.382 1.00 10.00 C ATOM 1232 CG ASP A 81 40.157 9.611 22.707 1.00 10.00 C ATOM 1233 OD1 ASP A 81 40.795 8.894 23.517 1.00 10.00 O ATOM 1234 OD2 ASP A 81 39.923 10.824 22.931 1.00 10.00 O ATOM 0 H ASP A 81 38.876 7.634 19.543 1.00 10.00 H new ATOM 0 HA ASP A 81 38.902 7.200 22.324 1.00 10.00 H new ATOM 0 HB2 ASP A 81 40.530 8.524 20.878 1.00 10.00 H new ATOM 0 HB3 ASP A 81 39.314 9.776 20.725 1.00 10.00 H new ATOM 1239 N SER A 82 36.332 8.915 21.330 1.00 10.00 N ATOM 1240 CA SER A 82 35.003 9.434 21.679 1.00 10.00 C ATOM 1241 C SER A 82 33.985 8.366 22.126 1.00 10.00 C ATOM 1242 O SER A 82 32.910 8.729 22.613 1.00 10.00 O ATOM 1243 CB SER A 82 34.437 10.181 20.463 1.00 10.00 C ATOM 1244 OG SER A 82 34.312 9.305 19.352 1.00 10.00 O ATOM 0 H SER A 82 36.455 8.818 20.322 1.00 10.00 H new ATOM 0 HA SER A 82 35.148 10.086 22.541 1.00 10.00 H new ATOM 0 HB2 SER A 82 33.464 10.605 20.710 1.00 10.00 H new ATOM 0 HB3 SER A 82 35.091 11.014 20.204 1.00 10.00 H new ATOM 0 HG SER A 82 33.948 9.797 18.587 1.00 10.00 H new ATOM 1250 N SER A 83 34.288 7.066 21.981 1.00 10.00 N ATOM 1251 CA SER A 83 33.320 5.964 22.169 1.00 10.00 C ATOM 1252 C SER A 83 33.862 4.705 22.870 1.00 10.00 C ATOM 1253 O SER A 83 33.073 3.829 23.239 1.00 10.00 O ATOM 1254 CB SER A 83 32.726 5.577 20.807 1.00 10.00 C ATOM 1255 OG SER A 83 33.731 5.078 19.939 1.00 10.00 O ATOM 0 H SER A 83 35.222 6.743 21.727 1.00 10.00 H new ATOM 0 HA SER A 83 32.566 6.359 22.849 1.00 10.00 H new ATOM 0 HB2 SER A 83 31.952 4.822 20.945 1.00 10.00 H new ATOM 0 HB3 SER A 83 32.248 6.446 20.354 1.00 10.00 H new ATOM 0 HG SER A 83 33.329 4.836 19.078 1.00 10.00 H new