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 40 GLN : amide:sc= 0.312 X(o=-1.5,f=-1.4) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= 0.3 USER MOD Set 1.3: A 60 MET CE :methyl -155:sc= -2.06 (180deg=-3.64!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc=-0.00051 X(o=-0.00051,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.445 X(o=-0.45,f=-0.74) USER MOD Single : A 42 ASN : amide:sc= 0.975 K(o=0.98,f=0) USER MOD Single : A 44 THR OG1 : rot 69:sc= 1.24 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.581 F(o=-1.9,f=-0.58) 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= -0.272 X(o=-0.27,f=-0.21) USER MOD Single : A 57 GLN : amide:sc= -0.0938 X(o=-0.094,f=-0.094) USER MOD Single : A 58 MET CE :methyl 168:sc= 0 (180deg=-0.179) USER MOD Single : A 61 SER OG : rot 73:sc= 0.846 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 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 461 N LEU A 32 49.730 -12.104 16.310 1.00 10.00 N ATOM 462 CA LEU A 32 49.099 -12.797 15.186 1.00 10.00 C ATOM 463 C LEU A 32 50.137 -13.170 14.116 1.00 10.00 C ATOM 464 O LEU A 32 50.041 -14.210 13.474 1.00 10.00 O ATOM 465 CB LEU A 32 48.007 -11.857 14.642 1.00 10.00 C ATOM 466 CG LEU A 32 46.720 -12.568 14.177 1.00 10.00 C ATOM 467 CD1 LEU A 32 45.697 -11.517 13.744 1.00 10.00 C ATOM 468 CD2 LEU A 32 46.959 -13.535 13.020 1.00 10.00 C ATOM 0 HA LEU A 32 48.653 -13.740 15.502 1.00 10.00 H new ATOM 0 HB2 LEU A 32 47.748 -11.136 15.417 1.00 10.00 H new ATOM 0 HB3 LEU A 32 48.417 -11.292 13.805 1.00 10.00 H new ATOM 0 HG LEU A 32 46.353 -13.155 15.019 1.00 10.00 H new ATOM 0 HD11 LEU A 32 44.784 -12.012 13.414 1.00 10.00 H new ATOM 0 HD12 LEU A 32 45.470 -10.862 14.585 1.00 10.00 H new ATOM 0 HD13 LEU A 32 46.106 -10.927 12.924 1.00 10.00 H new ATOM 0 HD21 LEU A 32 46.017 -14.004 12.738 1.00 10.00 H new ATOM 0 HD22 LEU A 32 47.363 -12.989 12.167 1.00 10.00 H new ATOM 0 HD23 LEU A 32 47.669 -14.303 13.328 1.00 10.00 H new ATOM 480 N ASN A 33 51.182 -12.355 13.971 1.00 10.00 N ATOM 481 CA ASN A 33 52.309 -12.647 13.080 1.00 10.00 C ATOM 482 C ASN A 33 53.053 -13.930 13.497 1.00 10.00 C ATOM 483 O ASN A 33 53.414 -14.740 12.646 1.00 10.00 O ATOM 484 CB ASN A 33 53.250 -11.432 13.038 1.00 10.00 C ATOM 485 CG ASN A 33 54.306 -11.575 11.955 1.00 10.00 C ATOM 486 OD1 ASN A 33 54.017 -11.549 10.768 1.00 10.00 O ATOM 487 ND2 ASN A 33 55.560 -11.733 12.319 1.00 10.00 N ATOM 0 H ASN A 33 51.273 -11.470 14.470 1.00 10.00 H new ATOM 0 HA ASN A 33 51.924 -12.832 12.077 1.00 10.00 H new ATOM 0 HB2 ASN A 33 52.668 -10.527 12.862 1.00 10.00 H new ATOM 0 HB3 ASN A 33 53.736 -11.315 14.007 1.00 10.00 H new ATOM 0 HD21 ASN A 33 56.288 -11.833 11.611 1.00 10.00 H new ATOM 0 HD22 ASN A 33 55.805 -11.755 13.309 1.00 10.00 H new ATOM 494 N LYS A 34 53.216 -14.155 14.807 1.00 10.00 N ATOM 495 CA LYS A 34 53.753 -15.398 15.390 1.00 10.00 C ATOM 496 C LYS A 34 52.847 -16.596 15.102 1.00 10.00 C ATOM 497 O LYS A 34 53.335 -17.643 14.687 1.00 10.00 O ATOM 498 CB LYS A 34 53.982 -15.193 16.899 1.00 10.00 C ATOM 499 CG LYS A 34 54.625 -16.412 17.579 1.00 10.00 C ATOM 500 CD LYS A 34 54.887 -16.132 19.068 1.00 10.00 C ATOM 501 CE LYS A 34 55.439 -17.360 19.810 1.00 10.00 C ATOM 502 NZ LYS A 34 56.833 -17.692 19.409 1.00 10.00 N ATOM 0 H LYS A 34 52.972 -13.460 15.513 1.00 10.00 H new ATOM 0 HA LYS A 34 54.710 -15.627 14.921 1.00 10.00 H new ATOM 0 HB2 LYS A 34 54.619 -14.322 17.049 1.00 10.00 H new ATOM 0 HB3 LYS A 34 53.028 -14.977 17.380 1.00 10.00 H new ATOM 0 HG2 LYS A 34 53.971 -17.278 17.477 1.00 10.00 H new ATOM 0 HG3 LYS A 34 55.562 -16.660 17.081 1.00 10.00 H new ATOM 0 HD2 LYS A 34 55.594 -15.308 19.160 1.00 10.00 H new ATOM 0 HD3 LYS A 34 53.960 -15.811 19.543 1.00 10.00 H new ATOM 0 HE2 LYS A 34 55.408 -17.175 20.884 1.00 10.00 H new ATOM 0 HE3 LYS A 34 54.795 -18.217 19.615 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 57.157 -18.527 19.938 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 56.862 -17.896 18.390 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 57.456 -16.886 19.619 1.00 10.00 H new ATOM 516 N GLN A 35 51.532 -16.424 15.249 1.00 10.00 N ATOM 517 CA GLN A 35 50.538 -17.453 14.888 1.00 10.00 C ATOM 518 C GLN A 35 50.600 -17.823 13.398 1.00 10.00 C ATOM 519 O GLN A 35 50.522 -18.996 13.033 1.00 10.00 O ATOM 520 CB GLN A 35 49.123 -16.983 15.266 1.00 10.00 C ATOM 521 CG GLN A 35 48.912 -16.998 16.784 1.00 10.00 C ATOM 522 CD GLN A 35 47.665 -16.230 17.209 1.00 10.00 C ATOM 523 OE1 GLN A 35 46.537 -16.689 17.088 1.00 10.00 O ATOM 524 NE2 GLN A 35 47.827 -15.033 17.730 1.00 10.00 N ATOM 0 H GLN A 35 51.119 -15.569 15.622 1.00 10.00 H new ATOM 0 HA GLN A 35 50.781 -18.352 15.454 1.00 10.00 H new ATOM 0 HB2 GLN A 35 48.960 -15.975 14.885 1.00 10.00 H new ATOM 0 HB3 GLN A 35 48.385 -17.628 14.789 1.00 10.00 H new ATOM 0 HG2 GLN A 35 48.833 -18.030 17.126 1.00 10.00 H new ATOM 0 HG3 GLN A 35 49.785 -16.566 17.273 1.00 10.00 H new ATOM 0 HE21 GLN A 35 48.764 -14.645 17.834 1.00 10.00 H new ATOM 0 HE22 GLN A 35 47.015 -14.493 18.030 1.00 10.00 H new ATOM 533 N LEU A 36 50.795 -16.831 12.531 1.00 10.00 N ATOM 534 CA LEU A 36 50.920 -17.028 11.086 1.00 10.00 C ATOM 535 C LEU A 36 52.257 -17.656 10.680 1.00 10.00 C ATOM 536 O LEU A 36 52.277 -18.534 9.820 1.00 10.00 O ATOM 537 CB LEU A 36 50.665 -15.700 10.388 1.00 10.00 C ATOM 538 CG LEU A 36 50.523 -15.874 8.869 1.00 10.00 C ATOM 539 CD1 LEU A 36 49.384 -16.778 8.393 1.00 10.00 C ATOM 540 CD2 LEU A 36 50.208 -14.494 8.331 1.00 10.00 C ATOM 0 H LEU A 36 50.872 -15.854 12.815 1.00 10.00 H new ATOM 0 HA LEU A 36 50.170 -17.751 10.767 1.00 10.00 H new ATOM 0 HB2 LEU A 36 49.758 -15.247 10.789 1.00 10.00 H new ATOM 0 HB3 LEU A 36 51.485 -15.014 10.601 1.00 10.00 H new ATOM 0 HG LEU A 36 51.446 -16.339 8.523 1.00 10.00 H new ATOM 0 HD11 LEU A 36 49.386 -16.822 7.304 1.00 10.00 H new ATOM 0 HD12 LEU A 36 49.522 -17.781 8.797 1.00 10.00 H new ATOM 0 HD13 LEU A 36 48.432 -16.376 8.738 1.00 10.00 H new ATOM 0 HD21 LEU A 36 50.093 -14.543 7.248 1.00 10.00 H new ATOM 0 HD22 LEU A 36 49.282 -14.132 8.778 1.00 10.00 H new ATOM 0 HD23 LEU A 36 51.022 -13.812 8.579 1.00 10.00 H new ATOM 552 N GLN A 37 53.363 -17.273 11.320 1.00 10.00 N ATOM 553 CA GLN A 37 54.666 -17.918 11.125 1.00 10.00 C ATOM 554 C GLN A 37 54.655 -19.370 11.632 1.00 10.00 C ATOM 555 O GLN A 37 55.239 -20.242 10.998 1.00 10.00 O ATOM 556 CB GLN A 37 55.764 -17.062 11.782 1.00 10.00 C ATOM 557 CG GLN A 37 57.197 -17.419 11.338 1.00 10.00 C ATOM 558 CD GLN A 37 57.768 -18.701 11.951 1.00 10.00 C ATOM 559 OE1 GLN A 37 57.535 -19.043 13.103 1.00 10.00 O ATOM 560 NE2 GLN A 37 58.562 -19.451 11.213 1.00 10.00 N ATOM 0 H GLN A 37 53.382 -16.505 11.991 1.00 10.00 H new ATOM 0 HA GLN A 37 54.884 -17.980 10.059 1.00 10.00 H new ATOM 0 HB2 GLN A 37 55.576 -16.013 11.554 1.00 10.00 H new ATOM 0 HB3 GLN A 37 55.694 -17.170 12.864 1.00 10.00 H new ATOM 0 HG2 GLN A 37 57.210 -17.517 10.252 1.00 10.00 H new ATOM 0 HG3 GLN A 37 57.856 -16.589 11.591 1.00 10.00 H new ATOM 0 HE21 GLN A 37 58.768 -19.182 10.251 1.00 10.00 H new ATOM 0 HE22 GLN A 37 58.970 -20.300 11.604 1.00 10.00 H new ATOM 569 N ASP A 38 53.920 -19.664 12.706 1.00 10.00 N ATOM 570 CA ASP A 38 53.660 -21.038 13.154 1.00 10.00 C ATOM 571 C ASP A 38 52.831 -21.828 12.130 1.00 10.00 C ATOM 572 O ASP A 38 53.141 -22.989 11.849 1.00 10.00 O ATOM 573 CB ASP A 38 52.995 -21.027 14.539 1.00 10.00 C ATOM 574 CG ASP A 38 52.764 -22.452 15.068 1.00 10.00 C ATOM 575 OD1 ASP A 38 53.736 -23.087 15.541 1.00 10.00 O ATOM 576 OD2 ASP A 38 51.608 -22.936 15.023 1.00 10.00 O ATOM 0 H ASP A 38 53.485 -18.953 13.294 1.00 10.00 H new ATOM 0 HA ASP A 38 54.617 -21.554 13.238 1.00 10.00 H new ATOM 0 HB2 ASP A 38 53.622 -20.475 15.240 1.00 10.00 H new ATOM 0 HB3 ASP A 38 52.042 -20.501 14.481 1.00 10.00 H new ATOM 581 N ALA A 39 51.847 -21.192 11.481 1.00 10.00 N ATOM 582 CA ALA A 39 51.153 -21.798 10.341 1.00 10.00 C ATOM 583 C ALA A 39 52.127 -22.107 9.202 1.00 10.00 C ATOM 584 O ALA A 39 52.144 -23.220 8.684 1.00 10.00 O ATOM 585 CB ALA A 39 50.004 -20.918 9.821 1.00 10.00 C ATOM 0 H ALA A 39 51.515 -20.259 11.727 1.00 10.00 H new ATOM 0 HA ALA A 39 50.721 -22.731 10.704 1.00 10.00 H new ATOM 0 HB1 ALA A 39 49.522 -21.411 8.977 1.00 10.00 H new ATOM 0 HB2 ALA A 39 49.275 -20.764 10.616 1.00 10.00 H new ATOM 0 HB3 ALA A 39 50.400 -19.954 9.501 1.00 10.00 H new ATOM 591 N GLN A 40 52.979 -21.138 8.869 1.00 10.00 N ATOM 592 CA GLN A 40 53.996 -21.219 7.825 1.00 10.00 C ATOM 593 C GLN A 40 55.080 -22.257 8.142 1.00 10.00 C ATOM 594 O GLN A 40 55.701 -22.761 7.219 1.00 10.00 O ATOM 595 CB GLN A 40 54.612 -19.820 7.634 1.00 10.00 C ATOM 596 CG GLN A 40 55.273 -19.616 6.264 1.00 10.00 C ATOM 597 CD GLN A 40 55.733 -18.168 6.088 1.00 10.00 C ATOM 598 OE1 GLN A 40 56.490 -17.625 6.883 1.00 10.00 O ATOM 599 NE2 GLN A 40 55.281 -17.466 5.070 1.00 10.00 N ATOM 0 H GLN A 40 52.978 -20.234 9.342 1.00 10.00 H new ATOM 0 HA GLN A 40 53.522 -21.551 6.902 1.00 10.00 H new ATOM 0 HB2 GLN A 40 53.833 -19.069 7.767 1.00 10.00 H new ATOM 0 HB3 GLN A 40 55.354 -19.650 8.414 1.00 10.00 H new ATOM 0 HG2 GLN A 40 56.126 -20.287 6.164 1.00 10.00 H new ATOM 0 HG3 GLN A 40 54.569 -19.876 5.474 1.00 10.00 H new ATOM 0 HE21 GLN A 40 54.649 -17.896 4.394 1.00 10.00 H new ATOM 0 HE22 GLN A 40 55.563 -16.492 4.957 1.00 10.00 H new ATOM 608 N ALA A 41 55.328 -22.593 9.410 1.00 10.00 N ATOM 609 CA ALA A 41 56.177 -23.716 9.827 1.00 10.00 C ATOM 610 C ALA A 41 55.492 -25.086 9.776 1.00 10.00 C ATOM 611 O ALA A 41 56.131 -26.051 9.351 1.00 10.00 O ATOM 612 CB ALA A 41 56.802 -23.420 11.185 1.00 10.00 C ATOM 0 H ALA A 41 54.934 -22.079 10.198 1.00 10.00 H new ATOM 0 HA ALA A 41 56.972 -23.800 9.086 1.00 10.00 H new ATOM 0 HB1 ALA A 41 57.430 -24.258 11.487 1.00 10.00 H new ATOM 0 HB2 ALA A 41 57.409 -22.517 11.117 1.00 10.00 H new ATOM 0 HB3 ALA A 41 56.014 -23.273 11.924 1.00 10.00 H new ATOM 618 N ASN A 42 54.203 -25.198 10.122 1.00 10.00 N ATOM 619 CA ASN A 42 53.462 -26.435 9.853 1.00 10.00 C ATOM 620 C ASN A 42 53.398 -26.647 8.330 1.00 10.00 C ATOM 621 O ASN A 42 53.488 -27.775 7.843 1.00 10.00 O ATOM 622 CB ASN A 42 52.063 -26.428 10.499 1.00 10.00 C ATOM 623 CG ASN A 42 52.105 -26.591 12.011 1.00 10.00 C ATOM 624 OD1 ASN A 42 51.982 -27.688 12.539 1.00 10.00 O ATOM 625 ND2 ASN A 42 52.281 -25.530 12.764 1.00 10.00 N ATOM 0 H ASN A 42 53.662 -24.464 10.579 1.00 10.00 H new ATOM 0 HA ASN A 42 53.987 -27.274 10.310 1.00 10.00 H new ATOM 0 HB2 ASN A 42 51.560 -25.492 10.254 1.00 10.00 H new ATOM 0 HB3 ASN A 42 51.466 -27.232 10.069 1.00 10.00 H new ATOM 0 HD21 ASN A 42 52.314 -25.625 13.779 1.00 10.00 H new ATOM 0 HD22 ASN A 42 52.385 -24.611 12.334 1.00 10.00 H new ATOM 632 N LEU A 43 53.338 -25.542 7.579 1.00 10.00 N ATOM 633 CA LEU A 43 53.492 -25.516 6.145 1.00 10.00 C ATOM 634 C LEU A 43 54.928 -25.801 5.720 1.00 10.00 C ATOM 635 O LEU A 43 55.132 -26.549 4.790 1.00 10.00 O ATOM 636 CB LEU A 43 52.991 -24.159 5.609 1.00 10.00 C ATOM 637 CG LEU A 43 52.455 -24.289 4.195 1.00 10.00 C ATOM 638 CD1 LEU A 43 51.168 -25.086 4.264 1.00 10.00 C ATOM 639 CD2 LEU A 43 52.099 -22.957 3.559 1.00 10.00 C ATOM 0 H LEU A 43 53.175 -24.618 7.979 1.00 10.00 H new ATOM 0 HA LEU A 43 52.889 -26.313 5.710 1.00 10.00 H new ATOM 0 HB2 LEU A 43 52.209 -23.774 6.263 1.00 10.00 H new ATOM 0 HB3 LEU A 43 53.806 -23.435 5.626 1.00 10.00 H new ATOM 0 HG LEU A 43 53.237 -24.757 3.597 1.00 10.00 H new ATOM 0 HD11 LEU A 43 50.755 -25.198 3.261 1.00 10.00 H new ATOM 0 HD12 LEU A 43 51.372 -26.071 4.685 1.00 10.00 H new ATOM 0 HD13 LEU A 43 50.450 -24.563 4.896 1.00 10.00 H new ATOM 0 HD21 LEU A 43 51.723 -23.125 2.550 1.00 10.00 H new ATOM 0 HD22 LEU A 43 51.332 -22.463 4.155 1.00 10.00 H new ATOM 0 HD23 LEU A 43 52.987 -22.326 3.515 1.00 10.00 H new ATOM 651 N THR A 44 55.949 -25.320 6.415 1.00 10.00 N ATOM 652 CA THR A 44 57.348 -25.586 6.042 1.00 10.00 C ATOM 653 C THR A 44 57.659 -27.082 6.095 1.00 10.00 C ATOM 654 O THR A 44 58.381 -27.613 5.247 1.00 10.00 O ATOM 655 CB THR A 44 58.337 -24.828 6.930 1.00 10.00 C ATOM 656 OG1 THR A 44 58.290 -23.447 6.652 1.00 10.00 O ATOM 657 CG2 THR A 44 59.763 -25.292 6.692 1.00 10.00 C ATOM 0 H THR A 44 55.843 -24.739 7.247 1.00 10.00 H new ATOM 0 HA THR A 44 57.467 -25.230 5.019 1.00 10.00 H new ATOM 0 HB THR A 44 58.050 -25.026 7.963 1.00 10.00 H new ATOM 0 HG1 THR A 44 57.435 -23.080 6.961 1.00 10.00 H new ATOM 0 HG21 THR A 44 60.440 -24.734 7.338 1.00 10.00 H new ATOM 0 HG22 THR A 44 59.842 -26.356 6.917 1.00 10.00 H new ATOM 0 HG23 THR A 44 60.032 -25.120 5.650 1.00 10.00 H new ATOM 665 N LYS A 45 57.087 -27.771 7.085 1.00 10.00 N ATOM 666 CA LYS A 45 57.176 -29.230 7.219 1.00 10.00 C ATOM 667 C LYS A 45 56.566 -29.991 6.034 1.00 10.00 C ATOM 668 O LYS A 45 57.074 -31.056 5.675 1.00 10.00 O ATOM 669 CB LYS A 45 56.548 -29.643 8.552 1.00 10.00 C ATOM 670 CG LYS A 45 57.397 -29.247 9.767 1.00 10.00 C ATOM 671 CD LYS A 45 56.726 -29.709 11.067 1.00 10.00 C ATOM 672 CE LYS A 45 57.605 -29.322 12.261 1.00 10.00 C ATOM 673 NZ LYS A 45 56.978 -29.708 13.553 1.00 10.00 N ATOM 0 H LYS A 45 56.543 -27.328 7.825 1.00 10.00 H new ATOM 0 HA LYS A 45 58.230 -29.507 7.210 1.00 10.00 H new ATOM 0 HB2 LYS A 45 55.563 -29.185 8.640 1.00 10.00 H new ATOM 0 HB3 LYS A 45 56.399 -30.723 8.557 1.00 10.00 H new ATOM 0 HG2 LYS A 45 58.389 -29.692 9.685 1.00 10.00 H new ATOM 0 HG3 LYS A 45 57.533 -28.166 9.786 1.00 10.00 H new ATOM 0 HD2 LYS A 45 55.741 -29.251 11.163 1.00 10.00 H new ATOM 0 HD3 LYS A 45 56.575 -30.788 11.047 1.00 10.00 H new ATOM 0 HE2 LYS A 45 58.577 -29.806 12.169 1.00 10.00 H new ATOM 0 HE3 LYS A 45 57.782 -28.247 12.249 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 57.601 -29.430 14.338 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 56.062 -29.226 13.652 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 56.832 -30.738 13.574 1.00 10.00 H new ATOM 687 N ASN A 46 55.532 -29.439 5.398 1.00 10.00 N ATOM 688 CA ASN A 46 54.934 -29.933 4.169 1.00 10.00 C ATOM 689 C ASN A 46 54.273 -28.793 3.360 1.00 10.00 C ATOM 690 O ASN A 46 53.080 -28.548 3.545 1.00 10.00 O ATOM 691 CB ASN A 46 53.995 -31.072 4.553 1.00 10.00 C ATOM 692 CG ASN A 46 53.649 -31.956 3.358 1.00 10.00 C ATOM 693 OD1 ASN A 46 52.975 -31.452 2.349 1.00 10.00 O flip ATOM 694 ND2 ASN A 46 54.035 -33.114 3.289 1.00 10.00 N flip ATOM 0 H ASN A 46 55.072 -28.598 5.746 1.00 10.00 H new ATOM 0 HA ASN A 46 55.686 -30.326 3.485 1.00 10.00 H new ATOM 0 HB2 ASN A 46 54.460 -31.679 5.330 1.00 10.00 H new ATOM 0 HB3 ASN A 46 53.079 -30.660 4.976 1.00 10.00 H new ATOM 0 HD21 ASN A 46 54.560 -33.524 4.062 1.00 10.00 H new ATOM 0 HD22 ASN A 46 53.832 -33.671 2.459 1.00 10.00 H new ATOM 701 N PRO A 47 55.026 -28.078 2.492 1.00 10.00 N ATOM 702 CA PRO A 47 54.595 -26.836 1.834 1.00 10.00 C ATOM 703 C PRO A 47 53.200 -26.764 1.218 1.00 10.00 C ATOM 704 O PRO A 47 52.628 -25.676 1.187 1.00 10.00 O ATOM 705 CB PRO A 47 55.684 -26.523 0.829 1.00 10.00 C ATOM 706 CG PRO A 47 56.948 -26.982 1.552 1.00 10.00 C ATOM 707 CD PRO A 47 56.479 -28.186 2.371 1.00 10.00 C ATOM 0 HA PRO A 47 54.471 -26.089 2.617 1.00 10.00 H new ATOM 0 HB2 PRO A 47 55.536 -27.059 -0.109 1.00 10.00 H new ATOM 0 HB3 PRO A 47 55.719 -25.461 0.587 1.00 10.00 H new ATOM 0 HG2 PRO A 47 57.734 -27.257 0.849 1.00 10.00 H new ATOM 0 HG3 PRO A 47 57.352 -26.196 2.190 1.00 10.00 H new ATOM 0 HD2 PRO A 47 56.757 -29.119 1.880 1.00 10.00 H new ATOM 0 HD3 PRO A 47 56.949 -28.191 3.354 1.00 10.00 H new ATOM 715 N SER A 48 52.616 -27.881 0.780 1.00 10.00 N ATOM 716 CA SER A 48 51.241 -27.943 0.319 1.00 10.00 C ATOM 717 C SER A 48 50.376 -29.020 0.972 1.00 10.00 C ATOM 718 O SER A 48 49.432 -29.541 0.376 1.00 10.00 O ATOM 719 CB SER A 48 51.266 -27.941 -1.195 1.00 10.00 C ATOM 720 OG SER A 48 51.848 -29.132 -1.712 1.00 10.00 O ATOM 0 H SER A 48 53.099 -28.778 0.738 1.00 10.00 H new ATOM 0 HA SER A 48 50.707 -27.056 0.661 1.00 10.00 H new ATOM 0 HB2 SER A 48 50.250 -27.837 -1.576 1.00 10.00 H new ATOM 0 HB3 SER A 48 51.829 -27.077 -1.549 1.00 10.00 H new ATOM 0 HG SER A 48 51.847 -29.098 -2.691 1.00 10.00 H new ATOM 726 N ASP A 49 50.702 -29.347 2.228 1.00 10.00 N ATOM 727 CA ASP A 49 49.831 -30.160 3.089 1.00 10.00 C ATOM 728 C ASP A 49 48.532 -29.351 3.229 1.00 10.00 C ATOM 729 O ASP A 49 48.579 -28.181 3.609 1.00 10.00 O ATOM 730 CB ASP A 49 50.508 -30.481 4.431 1.00 10.00 C ATOM 731 CG ASP A 49 49.562 -31.045 5.513 1.00 10.00 C ATOM 732 OD1 ASP A 49 48.543 -30.402 5.854 1.00 10.00 O ATOM 733 OD2 ASP A 49 49.838 -32.158 6.021 1.00 10.00 O ATOM 0 H ASP A 49 51.572 -29.058 2.675 1.00 10.00 H new ATOM 0 HA ASP A 49 49.620 -31.141 2.663 1.00 10.00 H new ATOM 0 HB2 ASP A 49 51.308 -31.201 4.256 1.00 10.00 H new ATOM 0 HB3 ASP A 49 50.975 -29.573 4.813 1.00 10.00 H new ATOM 738 N PRO A 50 47.369 -29.917 2.889 1.00 10.00 N ATOM 739 CA PRO A 50 46.152 -29.138 2.769 1.00 10.00 C ATOM 740 C PRO A 50 45.573 -28.615 4.075 1.00 10.00 C ATOM 741 O PRO A 50 44.919 -27.582 4.043 1.00 10.00 O ATOM 742 CB PRO A 50 45.171 -30.048 2.057 1.00 10.00 C ATOM 743 CG PRO A 50 45.643 -31.464 2.398 1.00 10.00 C ATOM 744 CD PRO A 50 47.153 -31.307 2.548 1.00 10.00 C ATOM 0 HA PRO A 50 46.370 -28.220 2.224 1.00 10.00 H new ATOM 0 HB2 PRO A 50 44.151 -29.877 2.400 1.00 10.00 H new ATOM 0 HB3 PRO A 50 45.179 -29.876 0.981 1.00 10.00 H new ATOM 0 HG2 PRO A 50 45.184 -31.830 3.316 1.00 10.00 H new ATOM 0 HG3 PRO A 50 45.389 -32.173 1.610 1.00 10.00 H new ATOM 0 HD2 PRO A 50 47.540 -31.966 3.325 1.00 10.00 H new ATOM 0 HD3 PRO A 50 47.668 -31.568 1.623 1.00 10.00 H new ATOM 752 N THR A 51 45.815 -29.258 5.217 1.00 10.00 N ATOM 753 CA THR A 51 45.452 -28.701 6.533 1.00 10.00 C ATOM 754 C THR A 51 46.445 -27.637 6.960 1.00 10.00 C ATOM 755 O THR A 51 46.019 -26.604 7.455 1.00 10.00 O ATOM 756 CB THR A 51 45.408 -29.811 7.577 1.00 10.00 C ATOM 757 OG1 THR A 51 44.219 -30.564 7.435 1.00 10.00 O ATOM 758 CG2 THR A 51 45.481 -29.312 9.018 1.00 10.00 C ATOM 0 H THR A 51 46.264 -30.173 5.264 1.00 10.00 H new ATOM 0 HA THR A 51 44.466 -28.244 6.450 1.00 10.00 H new ATOM 0 HB THR A 51 46.295 -30.418 7.393 1.00 10.00 H new ATOM 0 HG1 THR A 51 44.200 -31.276 8.108 1.00 10.00 H new ATOM 0 HG21 THR A 51 45.444 -30.162 9.700 1.00 10.00 H new ATOM 0 HG22 THR A 51 46.413 -28.767 9.168 1.00 10.00 H new ATOM 0 HG23 THR A 51 44.638 -28.650 9.217 1.00 10.00 H new ATOM 766 N ALA A 52 47.744 -27.827 6.743 1.00 10.00 N ATOM 767 CA ALA A 52 48.746 -26.782 6.933 1.00 10.00 C ATOM 768 C ALA A 52 48.436 -25.542 6.101 1.00 10.00 C ATOM 769 O ALA A 52 48.539 -24.418 6.591 1.00 10.00 O ATOM 770 CB ALA A 52 50.105 -27.401 6.575 1.00 10.00 C ATOM 0 H ALA A 52 48.133 -28.716 6.428 1.00 10.00 H new ATOM 0 HA ALA A 52 48.751 -26.434 7.966 1.00 10.00 H new ATOM 0 HB1 ALA A 52 50.889 -26.655 6.702 1.00 10.00 H new ATOM 0 HB2 ALA A 52 50.302 -28.250 7.230 1.00 10.00 H new ATOM 0 HB3 ALA A 52 50.089 -27.738 5.539 1.00 10.00 H new ATOM 776 N LEU A 53 48.014 -25.744 4.860 1.00 10.00 N ATOM 777 CA LEU A 53 47.723 -24.676 3.919 1.00 10.00 C ATOM 778 C LEU A 53 46.347 -24.065 4.194 1.00 10.00 C ATOM 779 O LEU A 53 46.200 -22.851 4.121 1.00 10.00 O ATOM 780 CB LEU A 53 47.913 -25.270 2.517 1.00 10.00 C ATOM 781 CG LEU A 53 48.143 -24.308 1.340 1.00 10.00 C ATOM 782 CD1 LEU A 53 48.702 -22.950 1.728 1.00 10.00 C ATOM 783 CD2 LEU A 53 49.185 -24.961 0.435 1.00 10.00 C ATOM 0 H LEU A 53 47.862 -26.676 4.473 1.00 10.00 H new ATOM 0 HA LEU A 53 48.399 -23.827 4.020 1.00 10.00 H new ATOM 0 HB2 LEU A 53 48.761 -25.953 2.558 1.00 10.00 H new ATOM 0 HB3 LEU A 53 47.032 -25.870 2.288 1.00 10.00 H new ATOM 0 HG LEU A 53 47.171 -24.136 0.878 1.00 10.00 H new ATOM 0 HD11 LEU A 53 48.831 -22.340 0.834 1.00 10.00 H new ATOM 0 HD12 LEU A 53 48.011 -22.453 2.409 1.00 10.00 H new ATOM 0 HD13 LEU A 53 49.666 -23.080 2.220 1.00 10.00 H new ATOM 0 HD21 LEU A 53 49.383 -24.313 -0.419 1.00 10.00 H new ATOM 0 HD22 LEU A 53 50.107 -25.115 0.995 1.00 10.00 H new ATOM 0 HD23 LEU A 53 48.810 -25.922 0.082 1.00 10.00 H new ATOM 795 N ALA A 54 45.369 -24.868 4.619 1.00 10.00 N ATOM 796 CA ALA A 54 44.090 -24.389 5.134 1.00 10.00 C ATOM 797 C ALA A 54 44.288 -23.547 6.401 1.00 10.00 C ATOM 798 O ALA A 54 43.674 -22.493 6.556 1.00 10.00 O ATOM 799 CB ALA A 54 43.187 -25.595 5.440 1.00 10.00 C ATOM 0 H ALA A 54 45.447 -25.885 4.614 1.00 10.00 H new ATOM 0 HA ALA A 54 43.621 -23.757 4.380 1.00 10.00 H new ATOM 0 HB1 ALA A 54 42.230 -25.244 5.825 1.00 10.00 H new ATOM 0 HB2 ALA A 54 43.023 -26.168 4.527 1.00 10.00 H new ATOM 0 HB3 ALA A 54 43.667 -26.229 6.185 1.00 10.00 H new ATOM 805 N ASN A 55 45.183 -23.992 7.283 1.00 10.00 N ATOM 806 CA ASN A 55 45.540 -23.335 8.530 1.00 10.00 C ATOM 807 C ASN A 55 46.215 -21.992 8.263 1.00 10.00 C ATOM 808 O ASN A 55 45.750 -20.956 8.729 1.00 10.00 O ATOM 809 CB ASN A 55 46.456 -24.286 9.314 1.00 10.00 C ATOM 810 CG ASN A 55 47.044 -23.715 10.576 1.00 10.00 C ATOM 811 OD1 ASN A 55 46.350 -23.341 11.508 1.00 10.00 O ATOM 812 ND2 ASN A 55 48.354 -23.676 10.639 1.00 10.00 N ATOM 0 H ASN A 55 45.699 -24.859 7.136 1.00 10.00 H new ATOM 0 HA ASN A 55 44.647 -23.120 9.117 1.00 10.00 H new ATOM 0 HB2 ASN A 55 45.890 -25.182 9.569 1.00 10.00 H new ATOM 0 HB3 ASN A 55 47.271 -24.599 8.662 1.00 10.00 H new ATOM 0 HD21 ASN A 55 48.814 -23.328 11.480 1.00 10.00 H new ATOM 0 HD22 ASN A 55 48.912 -23.994 9.847 1.00 10.00 H new ATOM 819 N TYR A 56 47.268 -22.004 7.446 1.00 10.00 N ATOM 820 CA TYR A 56 47.914 -20.784 6.950 1.00 10.00 C ATOM 821 C TYR A 56 46.939 -19.849 6.246 1.00 10.00 C ATOM 822 O TYR A 56 46.905 -18.682 6.602 1.00 10.00 O ATOM 823 CB TYR A 56 49.126 -21.183 6.098 1.00 10.00 C ATOM 824 CG TYR A 56 49.944 -20.126 5.378 1.00 10.00 C ATOM 825 CD1 TYR A 56 50.905 -19.378 6.087 1.00 10.00 C ATOM 826 CD2 TYR A 56 49.912 -20.061 3.970 1.00 10.00 C ATOM 827 CE1 TYR A 56 51.864 -18.616 5.395 1.00 10.00 C ATOM 828 CE2 TYR A 56 50.875 -19.306 3.272 1.00 10.00 C ATOM 829 CZ TYR A 56 51.876 -18.609 3.985 1.00 10.00 C ATOM 830 OH TYR A 56 52.850 -17.921 3.327 1.00 10.00 O ATOM 0 H TYR A 56 47.701 -22.863 7.107 1.00 10.00 H new ATOM 0 HA TYR A 56 48.274 -20.192 7.791 1.00 10.00 H new ATOM 0 HB2 TYR A 56 49.809 -21.731 6.747 1.00 10.00 H new ATOM 0 HB3 TYR A 56 48.771 -21.885 5.343 1.00 10.00 H new ATOM 0 HD1 TYR A 56 50.905 -19.390 7.167 1.00 10.00 H new ATOM 0 HD2 TYR A 56 49.146 -20.592 3.424 1.00 10.00 H new ATOM 0 HE1 TYR A 56 52.591 -18.036 5.944 1.00 10.00 H new ATOM 0 HE2 TYR A 56 50.848 -19.260 2.193 1.00 10.00 H new ATOM 0 HH TYR A 56 52.721 -18.015 2.360 1.00 10.00 H new ATOM 840 N GLN A 57 46.063 -20.326 5.365 1.00 10.00 N ATOM 841 CA GLN A 57 45.071 -19.466 4.703 1.00 10.00 C ATOM 842 C GLN A 57 44.030 -18.888 5.683 1.00 10.00 C ATOM 843 O GLN A 57 43.652 -17.723 5.556 1.00 10.00 O ATOM 844 CB GLN A 57 44.386 -20.215 3.548 1.00 10.00 C ATOM 845 CG GLN A 57 45.294 -20.330 2.310 1.00 10.00 C ATOM 846 CD GLN A 57 45.509 -18.988 1.608 1.00 10.00 C ATOM 847 OE1 GLN A 57 44.599 -18.398 1.038 1.00 10.00 O ATOM 848 NE2 GLN A 57 46.709 -18.446 1.617 1.00 10.00 N ATOM 0 H GLN A 57 46.016 -21.307 5.089 1.00 10.00 H new ATOM 0 HA GLN A 57 45.615 -18.615 4.294 1.00 10.00 H new ATOM 0 HB2 GLN A 57 44.102 -21.213 3.882 1.00 10.00 H new ATOM 0 HB3 GLN A 57 43.467 -19.696 3.275 1.00 10.00 H new ATOM 0 HG2 GLN A 57 46.260 -20.737 2.610 1.00 10.00 H new ATOM 0 HG3 GLN A 57 44.854 -21.037 1.606 1.00 10.00 H new ATOM 0 HE21 GLN A 57 47.480 -18.921 2.086 1.00 10.00 H new ATOM 0 HE22 GLN A 57 46.868 -17.551 1.155 1.00 10.00 H new ATOM 857 N MET A 58 43.597 -19.655 6.689 1.00 10.00 N ATOM 858 CA MET A 58 42.666 -19.208 7.734 1.00 10.00 C ATOM 859 C MET A 58 43.292 -18.163 8.660 1.00 10.00 C ATOM 860 O MET A 58 42.711 -17.100 8.886 1.00 10.00 O ATOM 861 CB MET A 58 42.198 -20.436 8.529 1.00 10.00 C ATOM 862 CG MET A 58 41.263 -20.103 9.698 1.00 10.00 C ATOM 863 SD MET A 58 40.798 -21.527 10.725 1.00 10.00 S ATOM 864 CE MET A 58 42.387 -21.882 11.535 1.00 10.00 C ATOM 0 H MET A 58 43.890 -20.625 6.803 1.00 10.00 H new ATOM 0 HA MET A 58 41.814 -18.722 7.259 1.00 10.00 H new ATOM 0 HB2 MET A 58 41.687 -21.121 7.852 1.00 10.00 H new ATOM 0 HB3 MET A 58 43.072 -20.961 8.914 1.00 10.00 H new ATOM 0 HG2 MET A 58 41.745 -19.358 10.331 1.00 10.00 H new ATOM 0 HG3 MET A 58 40.356 -19.646 9.302 1.00 10.00 H new ATOM 0 HE1 MET A 58 42.230 -22.586 12.352 1.00 10.00 H new ATOM 0 HE2 MET A 58 43.076 -22.316 10.810 1.00 10.00 H new ATOM 0 HE3 MET A 58 42.809 -20.957 11.929 1.00 10.00 H new ATOM 874 N ILE A 59 44.495 -18.430 9.166 1.00 10.00 N ATOM 875 CA ILE A 59 45.237 -17.504 10.008 1.00 10.00 C ATOM 876 C ILE A 59 45.633 -16.271 9.194 1.00 10.00 C ATOM 877 O ILE A 59 45.596 -15.166 9.719 1.00 10.00 O ATOM 878 CB ILE A 59 46.439 -18.245 10.617 1.00 10.00 C ATOM 879 CG1 ILE A 59 45.973 -19.363 11.580 1.00 10.00 C ATOM 880 CG2 ILE A 59 47.344 -17.298 11.404 1.00 10.00 C ATOM 881 CD1 ILE A 59 47.131 -20.241 12.051 1.00 10.00 C ATOM 0 H ILE A 59 44.985 -19.309 8.998 1.00 10.00 H new ATOM 0 HA ILE A 59 44.624 -17.143 10.834 1.00 10.00 H new ATOM 0 HB ILE A 59 46.992 -18.673 9.781 1.00 10.00 H new ATOM 0 HG12 ILE A 59 45.485 -18.914 12.445 1.00 10.00 H new ATOM 0 HG13 ILE A 59 45.229 -19.984 11.080 1.00 10.00 H new ATOM 0 HG21 ILE A 59 48.182 -17.857 11.819 1.00 10.00 H new ATOM 0 HG22 ILE A 59 47.720 -16.519 10.741 1.00 10.00 H new ATOM 0 HG23 ILE A 59 46.776 -16.841 12.214 1.00 10.00 H new ATOM 0 HD11 ILE A 59 46.754 -21.011 12.724 1.00 10.00 H new ATOM 0 HD12 ILE A 59 47.604 -20.713 11.190 1.00 10.00 H new ATOM 0 HD13 ILE A 59 47.863 -19.627 12.576 1.00 10.00 H new ATOM 893 N MET A 60 45.939 -16.422 7.903 1.00 10.00 N ATOM 894 CA MET A 60 46.238 -15.303 7.009 1.00 10.00 C ATOM 895 C MET A 60 45.018 -14.426 6.722 1.00 10.00 C ATOM 896 O MET A 60 45.143 -13.206 6.635 1.00 10.00 O ATOM 897 CB MET A 60 46.855 -15.798 5.703 1.00 10.00 C ATOM 898 CG MET A 60 47.631 -14.673 5.032 1.00 10.00 C ATOM 899 SD MET A 60 48.634 -15.221 3.632 1.00 10.00 S ATOM 900 CE MET A 60 49.921 -16.053 4.597 1.00 10.00 C ATOM 0 H MET A 60 45.986 -17.333 7.446 1.00 10.00 H new ATOM 0 HA MET A 60 46.962 -14.678 7.532 1.00 10.00 H new ATOM 0 HB2 MET A 60 47.518 -16.640 5.901 1.00 10.00 H new ATOM 0 HB3 MET A 60 46.072 -16.159 5.036 1.00 10.00 H new ATOM 0 HG2 MET A 60 46.929 -13.912 4.690 1.00 10.00 H new ATOM 0 HG3 MET A 60 48.279 -14.200 5.770 1.00 10.00 H new ATOM 0 HE1 MET A 60 50.846 -16.082 4.021 1.00 10.00 H new ATOM 0 HE2 MET A 60 50.089 -15.508 5.526 1.00 10.00 H new ATOM 0 HE3 MET A 60 49.604 -17.070 4.826 1.00 10.00 H new ATOM 910 N SER A 61 43.831 -15.029 6.630 1.00 10.00 N ATOM 911 CA SER A 61 42.557 -14.307 6.547 1.00 10.00 C ATOM 912 C SER A 61 42.332 -13.436 7.790 1.00 10.00 C ATOM 913 O SER A 61 41.968 -12.266 7.664 1.00 10.00 O ATOM 914 CB SER A 61 41.388 -15.285 6.345 1.00 10.00 C ATOM 915 OG SER A 61 41.486 -15.923 5.083 1.00 10.00 O ATOM 0 H SER A 61 43.725 -16.043 6.611 1.00 10.00 H new ATOM 0 HA SER A 61 42.602 -13.647 5.681 1.00 10.00 H new ATOM 0 HB2 SER A 61 41.391 -16.033 7.138 1.00 10.00 H new ATOM 0 HB3 SER A 61 40.442 -14.749 6.415 1.00 10.00 H new ATOM 0 HG SER A 61 42.211 -16.582 5.105 1.00 10.00 H new ATOM 921 N GLU A 62 42.627 -13.957 8.986 1.00 10.00 N ATOM 922 CA GLU A 62 42.589 -13.181 10.237 1.00 10.00 C ATOM 923 C GLU A 62 43.711 -12.136 10.338 1.00 10.00 C ATOM 924 O GLU A 62 43.455 -10.995 10.722 1.00 10.00 O ATOM 925 CB GLU A 62 42.627 -14.123 11.454 1.00 10.00 C ATOM 926 CG GLU A 62 41.334 -14.937 11.587 1.00 10.00 C ATOM 927 CD GLU A 62 41.318 -15.746 12.898 1.00 10.00 C ATOM 928 OE1 GLU A 62 41.893 -16.860 12.941 1.00 10.00 O ATOM 929 OE2 GLU A 62 40.719 -15.275 13.897 1.00 10.00 O ATOM 0 H GLU A 62 42.900 -14.931 9.117 1.00 10.00 H new ATOM 0 HA GLU A 62 41.649 -12.629 10.229 1.00 10.00 H new ATOM 0 HB2 GLU A 62 43.475 -14.801 11.362 1.00 10.00 H new ATOM 0 HB3 GLU A 62 42.783 -13.539 12.361 1.00 10.00 H new ATOM 0 HG2 GLU A 62 40.475 -14.267 11.559 1.00 10.00 H new ATOM 0 HG3 GLU A 62 41.238 -15.614 10.738 1.00 10.00 H new ATOM 936 N TYR A 63 44.933 -12.496 9.941 1.00 10.00 N ATOM 937 CA TYR A 63 46.105 -11.618 9.889 1.00 10.00 C ATOM 938 C TYR A 63 45.837 -10.387 9.031 1.00 10.00 C ATOM 939 O TYR A 63 45.995 -9.253 9.485 1.00 10.00 O ATOM 940 CB TYR A 63 47.308 -12.416 9.357 1.00 10.00 C ATOM 941 CG TYR A 63 48.574 -11.632 9.075 1.00 10.00 C ATOM 942 CD1 TYR A 63 49.483 -11.336 10.111 1.00 10.00 C ATOM 943 CD2 TYR A 63 48.902 -11.326 7.740 1.00 10.00 C ATOM 944 CE1 TYR A 63 50.729 -10.752 9.804 1.00 10.00 C ATOM 945 CE2 TYR A 63 50.148 -10.755 7.430 1.00 10.00 C ATOM 946 CZ TYR A 63 51.071 -10.472 8.460 1.00 10.00 C ATOM 947 OH TYR A 63 52.283 -9.936 8.152 1.00 10.00 O ATOM 0 H TYR A 63 45.142 -13.446 9.634 1.00 10.00 H new ATOM 0 HA TYR A 63 46.328 -11.261 10.894 1.00 10.00 H new ATOM 0 HB2 TYR A 63 47.545 -13.196 10.080 1.00 10.00 H new ATOM 0 HB3 TYR A 63 47.005 -12.915 8.437 1.00 10.00 H new ATOM 0 HD1 TYR A 63 49.226 -11.556 11.137 1.00 10.00 H new ATOM 0 HD2 TYR A 63 48.193 -11.531 6.951 1.00 10.00 H new ATOM 0 HE1 TYR A 63 51.424 -10.518 10.597 1.00 10.00 H new ATOM 0 HE2 TYR A 63 50.400 -10.533 6.404 1.00 10.00 H new ATOM 0 HH TYR A 63 52.348 -9.811 7.182 1.00 10.00 H new ATOM 957 N ASN A 64 45.376 -10.606 7.803 1.00 10.00 N ATOM 958 CA ASN A 64 45.183 -9.534 6.837 1.00 10.00 C ATOM 959 C ASN A 64 44.021 -8.609 7.248 1.00 10.00 C ATOM 960 O ASN A 64 44.133 -7.386 7.145 1.00 10.00 O ATOM 961 CB ASN A 64 44.970 -10.152 5.446 1.00 10.00 C ATOM 962 CG ASN A 64 44.795 -9.091 4.371 1.00 10.00 C ATOM 963 OD1 ASN A 64 43.695 -8.806 3.921 1.00 10.00 O ATOM 964 ND2 ASN A 64 45.865 -8.465 3.935 1.00 10.00 N ATOM 0 H ASN A 64 45.127 -11.531 7.452 1.00 10.00 H new ATOM 0 HA ASN A 64 46.072 -8.904 6.808 1.00 10.00 H new ATOM 0 HB2 ASN A 64 45.822 -10.784 5.196 1.00 10.00 H new ATOM 0 HB3 ASN A 64 44.091 -10.796 5.466 1.00 10.00 H new ATOM 0 HD21 ASN A 64 45.777 -7.742 3.221 1.00 10.00 H new ATOM 0 HD22 ASN A 64 46.783 -8.703 4.310 1.00 10.00 H new ATOM 1108 N VAL A 74 44.612 3.630 12.728 1.00 10.00 N ATOM 1109 CA VAL A 74 45.650 4.629 12.450 1.00 10.00 C ATOM 1110 C VAL A 74 45.110 5.788 11.596 1.00 10.00 C ATOM 1111 O VAL A 74 45.361 6.951 11.916 1.00 10.00 O ATOM 1112 CB VAL A 74 46.850 3.906 11.806 1.00 10.00 C ATOM 1113 CG1 VAL A 74 47.841 4.858 11.150 1.00 10.00 C ATOM 1114 CG2 VAL A 74 47.612 3.091 12.860 1.00 10.00 C ATOM 0 HA VAL A 74 45.982 5.097 13.377 1.00 10.00 H new ATOM 0 HB VAL A 74 46.428 3.262 11.035 1.00 10.00 H new ATOM 0 HG11 VAL A 74 48.662 4.287 10.716 1.00 10.00 H new ATOM 0 HG12 VAL A 74 47.338 5.423 10.366 1.00 10.00 H new ATOM 0 HG13 VAL A 74 48.234 5.546 11.898 1.00 10.00 H new ATOM 0 HG21 VAL A 74 48.456 2.587 12.390 1.00 10.00 H new ATOM 0 HG22 VAL A 74 47.977 3.758 13.641 1.00 10.00 H new ATOM 0 HG23 VAL A 74 46.945 2.349 13.299 1.00 10.00 H new ATOM 1124 N LYS A 75 44.288 5.500 10.576 1.00 10.00 N ATOM 1125 CA LYS A 75 43.555 6.493 9.761 1.00 10.00 C ATOM 1126 C LYS A 75 42.557 7.347 10.570 1.00 10.00 C ATOM 1127 O LYS A 75 42.189 8.438 10.133 1.00 10.00 O ATOM 1128 CB LYS A 75 42.869 5.744 8.596 1.00 10.00 C ATOM 1129 CG LYS A 75 42.086 6.607 7.589 1.00 10.00 C ATOM 1130 CD LYS A 75 42.949 7.670 6.888 1.00 10.00 C ATOM 1131 CE LYS A 75 42.156 8.463 5.837 1.00 10.00 C ATOM 1132 NZ LYS A 75 41.134 9.351 6.453 1.00 10.00 N ATOM 0 H LYS A 75 44.106 4.540 10.282 1.00 10.00 H new ATOM 0 HA LYS A 75 44.271 7.218 9.374 1.00 10.00 H new ATOM 0 HB2 LYS A 75 43.633 5.191 8.049 1.00 10.00 H new ATOM 0 HB3 LYS A 75 42.185 5.009 9.019 1.00 10.00 H new ATOM 0 HG2 LYS A 75 41.641 5.957 6.835 1.00 10.00 H new ATOM 0 HG3 LYS A 75 41.265 7.102 8.108 1.00 10.00 H new ATOM 0 HD2 LYS A 75 43.351 8.358 7.632 1.00 10.00 H new ATOM 0 HD3 LYS A 75 43.800 7.186 6.409 1.00 10.00 H new ATOM 0 HE2 LYS A 75 42.845 9.063 5.242 1.00 10.00 H new ATOM 0 HE3 LYS A 75 41.667 7.769 5.154 1.00 10.00 H new ATOM 0 HZ1 LYS A 75 40.625 9.865 5.706 1.00 10.00 H new ATOM 0 HZ2 LYS A 75 40.460 8.778 7.000 1.00 10.00 H new ATOM 0 HZ3 LYS A 75 41.601 10.032 7.085 1.00 10.00 H new ATOM 1146 N SER A 76 42.166 6.888 11.761 1.00 10.00 N ATOM 1147 CA SER A 76 41.145 7.503 12.627 1.00 10.00 C ATOM 1148 C SER A 76 41.695 7.964 13.986 1.00 10.00 C ATOM 1149 O SER A 76 40.920 8.377 14.848 1.00 10.00 O ATOM 1150 CB SER A 76 39.987 6.515 12.848 1.00 10.00 C ATOM 1151 OG SER A 76 39.469 6.038 11.615 1.00 10.00 O ATOM 0 H SER A 76 42.566 6.043 12.169 1.00 10.00 H new ATOM 0 HA SER A 76 40.795 8.396 12.110 1.00 10.00 H new ATOM 0 HB2 SER A 76 40.334 5.674 13.448 1.00 10.00 H new ATOM 0 HB3 SER A 76 39.193 7.003 13.413 1.00 10.00 H new ATOM 0 HG SER A 76 38.736 5.411 11.789 1.00 10.00 H new ATOM 1157 N MET A 77 43.013 7.914 14.212 1.00 10.00 N ATOM 1158 CA MET A 77 43.623 8.128 15.536 1.00 10.00 C ATOM 1159 C MET A 77 43.279 9.480 16.191 1.00 10.00 C ATOM 1160 O MET A 77 43.121 9.545 17.412 1.00 10.00 O ATOM 1161 CB MET A 77 45.138 7.852 15.472 1.00 10.00 C ATOM 1162 CG MET A 77 45.961 8.822 14.613 1.00 10.00 C ATOM 1163 SD MET A 77 46.418 10.383 15.418 1.00 10.00 S ATOM 1164 CE MET A 77 47.392 11.132 14.084 1.00 10.00 C ATOM 0 H MET A 77 43.694 7.723 13.477 1.00 10.00 H new ATOM 0 HA MET A 77 43.170 7.403 16.212 1.00 10.00 H new ATOM 0 HB2 MET A 77 45.534 7.871 16.487 1.00 10.00 H new ATOM 0 HB3 MET A 77 45.288 6.842 15.090 1.00 10.00 H new ATOM 0 HG2 MET A 77 46.873 8.316 14.297 1.00 10.00 H new ATOM 0 HG3 MET A 77 45.394 9.051 13.710 1.00 10.00 H new ATOM 0 HE1 MET A 77 47.758 12.108 14.404 1.00 10.00 H new ATOM 0 HE2 MET A 77 48.238 10.488 13.845 1.00 10.00 H new ATOM 0 HE3 MET A 77 46.766 11.252 13.200 1.00 10.00 H new ATOM 1174 N LYS A 78 43.065 10.537 15.391 1.00 10.00 N ATOM 1175 CA LYS A 78 42.618 11.865 15.861 1.00 10.00 C ATOM 1176 C LYS A 78 41.201 11.853 16.450 1.00 10.00 C ATOM 1177 O LYS A 78 40.911 12.618 17.368 1.00 10.00 O ATOM 1178 CB LYS A 78 42.694 12.891 14.715 1.00 10.00 C ATOM 1179 CG LYS A 78 44.130 13.115 14.209 1.00 10.00 C ATOM 1180 CD LYS A 78 44.227 14.208 13.133 1.00 10.00 C ATOM 1181 CE LYS A 78 43.904 15.603 13.688 1.00 10.00 C ATOM 1182 NZ LYS A 78 44.052 16.653 12.646 1.00 10.00 N ATOM 0 H LYS A 78 43.199 10.495 14.381 1.00 10.00 H new ATOM 0 HA LYS A 78 43.296 12.150 16.666 1.00 10.00 H new ATOM 0 HB2 LYS A 78 42.071 12.551 13.888 1.00 10.00 H new ATOM 0 HB3 LYS A 78 42.281 13.841 15.056 1.00 10.00 H new ATOM 0 HG2 LYS A 78 44.767 13.385 15.051 1.00 10.00 H new ATOM 0 HG3 LYS A 78 44.516 12.180 13.804 1.00 10.00 H new ATOM 0 HD2 LYS A 78 45.232 14.211 12.711 1.00 10.00 H new ATOM 0 HD3 LYS A 78 43.540 13.975 12.319 1.00 10.00 H new ATOM 0 HE2 LYS A 78 42.885 15.614 14.075 1.00 10.00 H new ATOM 0 HE3 LYS A 78 44.566 15.824 14.525 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 43.826 17.582 13.055 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 45.031 16.658 12.295 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 43.402 16.454 11.858 1.00 10.00 H new ATOM 1196 N ASP A 79 40.328 10.981 15.943 1.00 10.00 N ATOM 1197 CA ASP A 79 38.975 10.763 16.469 1.00 10.00 C ATOM 1198 C ASP A 79 38.991 9.806 17.674 1.00 10.00 C ATOM 1199 O ASP A 79 38.365 10.092 18.694 1.00 10.00 O ATOM 1200 CB ASP A 79 38.084 10.220 15.341 1.00 10.00 C ATOM 1201 CG ASP A 79 36.623 10.061 15.793 1.00 10.00 C ATOM 1202 OD1 ASP A 79 35.929 11.092 15.963 1.00 10.00 O ATOM 1203 OD2 ASP A 79 36.160 8.906 15.951 1.00 10.00 O ATOM 0 H ASP A 79 40.544 10.393 15.138 1.00 10.00 H new ATOM 0 HA ASP A 79 38.571 11.711 16.824 1.00 10.00 H new ATOM 0 HB2 ASP A 79 38.128 10.895 14.486 1.00 10.00 H new ATOM 0 HB3 ASP A 79 38.468 9.256 15.007 1.00 10.00 H new ATOM 1208 N ILE A 80 39.769 8.718 17.608 1.00 10.00 N ATOM 1209 CA ILE A 80 39.943 7.743 18.706 1.00 10.00 C ATOM 1210 C ILE A 80 40.481 8.408 19.985 1.00 10.00 C ATOM 1211 O ILE A 80 40.101 8.027 21.090 1.00 10.00 O ATOM 1212 CB ILE A 80 40.845 6.574 18.243 1.00 10.00 C ATOM 1213 CG1 ILE A 80 40.188 5.819 17.060 1.00 10.00 C ATOM 1214 CG2 ILE A 80 41.136 5.567 19.372 1.00 10.00 C ATOM 1215 CD1 ILE A 80 41.088 4.761 16.413 1.00 10.00 C ATOM 0 H ILE A 80 40.308 8.481 16.775 1.00 10.00 H new ATOM 0 HA ILE A 80 38.963 7.339 18.959 1.00 10.00 H new ATOM 0 HB ILE A 80 41.790 7.019 17.933 1.00 10.00 H new ATOM 0 HG12 ILE A 80 39.276 5.338 17.413 1.00 10.00 H new ATOM 0 HG13 ILE A 80 39.893 6.543 16.300 1.00 10.00 H new ATOM 0 HG21 ILE A 80 41.773 4.768 18.992 1.00 10.00 H new ATOM 0 HG22 ILE A 80 41.643 6.076 20.192 1.00 10.00 H new ATOM 0 HG23 ILE A 80 40.199 5.143 19.732 1.00 10.00 H new ATOM 0 HD11 ILE A 80 40.553 4.280 15.594 1.00 10.00 H new ATOM 0 HD12 ILE A 80 41.990 5.237 16.027 1.00 10.00 H new ATOM 0 HD13 ILE A 80 41.363 4.013 17.157 1.00 10.00 H new ATOM 1227 N ASP A 81 41.302 9.453 19.852 1.00 10.00 N ATOM 1228 CA ASP A 81 41.808 10.260 20.974 1.00 10.00 C ATOM 1229 C ASP A 81 40.706 10.981 21.796 1.00 10.00 C ATOM 1230 O ASP A 81 40.961 11.421 22.920 1.00 10.00 O ATOM 1231 CB ASP A 81 42.835 11.265 20.428 1.00 10.00 C ATOM 1232 CG ASP A 81 43.597 12.005 21.542 1.00 10.00 C ATOM 1233 OD1 ASP A 81 44.353 11.347 22.299 1.00 10.00 O ATOM 1234 OD2 ASP A 81 43.479 13.250 21.639 1.00 10.00 O ATOM 0 H ASP A 81 41.643 9.771 18.945 1.00 10.00 H new ATOM 0 HA ASP A 81 42.272 9.574 21.682 1.00 10.00 H new ATOM 0 HB2 ASP A 81 43.549 10.740 19.793 1.00 10.00 H new ATOM 0 HB3 ASP A 81 42.324 11.993 19.798 1.00 10.00 H new ATOM 1239 N SER A 82 39.476 11.067 21.270 1.00 10.00 N ATOM 1240 CA SER A 82 38.305 11.706 21.903 1.00 10.00 C ATOM 1241 C SER A 82 37.070 10.782 21.985 1.00 10.00 C ATOM 1242 O SER A 82 36.201 10.965 22.843 1.00 10.00 O ATOM 1243 CB SER A 82 37.975 12.985 21.123 1.00 10.00 C ATOM 1244 OG SER A 82 37.098 13.827 21.856 1.00 10.00 O ATOM 0 H SER A 82 39.257 10.678 20.353 1.00 10.00 H new ATOM 0 HA SER A 82 38.564 11.937 22.936 1.00 10.00 H new ATOM 0 HB2 SER A 82 38.896 13.524 20.898 1.00 10.00 H new ATOM 0 HB3 SER A 82 37.518 12.723 20.169 1.00 10.00 H new ATOM 0 HG SER A 82 36.907 14.634 21.334 1.00 10.00 H new ATOM 1250 N SER A 83 37.031 9.734 21.155 1.00 10.00 N ATOM 1251 CA SER A 83 35.927 8.773 20.979 1.00 10.00 C ATOM 1252 C SER A 83 36.462 7.330 20.956 1.00 10.00 C ATOM 1253 O SER A 83 36.185 6.551 20.041 1.00 10.00 O ATOM 1254 CB SER A 83 35.135 9.106 19.704 1.00 10.00 C ATOM 1255 OG SER A 83 34.534 10.393 19.794 1.00 10.00 O ATOM 0 H SER A 83 37.820 9.517 20.546 1.00 10.00 H new ATOM 0 HA SER A 83 35.247 8.854 21.827 1.00 10.00 H new ATOM 0 HB2 SER A 83 35.799 9.071 18.840 1.00 10.00 H new ATOM 0 HB3 SER A 83 34.364 8.352 19.544 1.00 10.00 H new ATOM 0 HG SER A 83 34.038 10.581 18.970 1.00 10.00 H new