USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 637 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: B 57 GLN : amide:sc= 1.12 K(o=2,f=0.9) USER MOD Set 1.2: B 88 GLN : amide:sc= 0.93 K(o=2,f=0.9) USER MOD Set 2.1: B 28 SER OG : rot -93:sc= 1.38 USER MOD Set 2.2: B 47 TYR OH : rot -27:sc= 0.151 USER MOD Single : B 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 19 ASN : amide:sc= 0.381 X(o=0.38,f=0) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.26) USER MOD Single : B 31 GLN : amide:sc= -0.121 K(o=-0.12,f=-3.6!) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 HIS : no HD1:sc= -0.152 K(o=-0.15,f=-1.8) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 180:sc= -0.475 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 CYS SG : rot -34:sc= -0.544 USER MOD Single : B 51 GLN :FLIP amide:sc= -0.184 F(o=-0.84,f=-0.18) USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 65 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : B 68 ASN : amide:sc= -0.0786 X(o=-0.079,f=0) USER MOD Single : B 70 THR OG1 : rot 180:sc= 0 USER MOD Single : B 72 THR OG1 : rot 180:sc= 1 USER MOD Single : B 75 GLN : amide:sc= -0.0162 K(o=-0.016,f=-1.9!) USER MOD Single : B 78 MET CE :methyl -176:sc= -1.58 (180deg=-1.64) USER MOD Single : B 83 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= -1.02 X(o=-1,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 38 12.547 12.878 -46.095 1.00 0.00 N ATOM 23 CA ASP A 38 13.046 11.642 -45.433 1.00 0.00 C ATOM 24 C ASP A 38 13.681 11.918 -44.056 1.00 0.00 C ATOM 25 O ASP A 38 14.839 11.549 -43.923 1.00 0.00 O ATOM 26 CB ASP A 38 13.946 10.906 -46.425 1.00 0.00 C ATOM 27 CG ASP A 38 14.341 9.491 -45.929 1.00 0.00 C ATOM 28 OD1 ASP A 38 13.407 8.733 -45.590 1.00 0.00 O ATOM 29 OD2 ASP A 38 15.519 9.054 -46.103 1.00 0.00 O ATOM 0 HA ASP A 38 12.215 10.983 -45.183 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.433 10.822 -47.383 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.848 11.493 -46.597 1.00 0.00 H new ATOM 34 N ALA A 39 12.884 12.431 -43.193 1.00 0.00 N ATOM 35 CA ALA A 39 13.290 12.740 -41.852 1.00 0.00 C ATOM 36 C ALA A 39 13.344 11.550 -40.913 1.00 0.00 C ATOM 37 O ALA A 39 13.034 11.552 -39.744 1.00 0.00 O ATOM 38 CB ALA A 39 12.523 13.912 -41.227 1.00 0.00 C ATOM 0 H ALA A 39 11.909 12.656 -43.392 1.00 0.00 H new ATOM 0 HA ALA A 39 14.322 13.066 -41.979 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.886 14.085 -40.214 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.678 14.809 -41.826 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.459 13.676 -41.196 1.00 0.00 H new ATOM 44 N PHE A 40 13.776 10.426 -41.429 1.00 0.00 N ATOM 45 CA PHE A 40 13.810 9.106 -40.686 1.00 0.00 C ATOM 46 C PHE A 40 14.987 8.150 -41.129 1.00 0.00 C ATOM 47 O PHE A 40 15.255 8.066 -42.341 1.00 0.00 O ATOM 48 CB PHE A 40 12.472 8.405 -41.021 1.00 0.00 C ATOM 49 CG PHE A 40 11.705 7.855 -39.823 1.00 0.00 C ATOM 50 CD1 PHE A 40 11.298 8.669 -38.809 1.00 0.00 C ATOM 51 CD2 PHE A 40 11.585 6.430 -39.713 1.00 0.00 C ATOM 52 CE1 PHE A 40 10.708 8.078 -37.663 1.00 0.00 C ATOM 53 CE2 PHE A 40 10.865 5.857 -38.661 1.00 0.00 C ATOM 54 CZ PHE A 40 10.394 6.720 -37.634 1.00 0.00 C ATOM 0 H PHE A 40 14.126 10.358 -42.385 1.00 0.00 H new ATOM 0 HA PHE A 40 13.963 9.307 -39.626 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.832 9.113 -41.547 1.00 0.00 H new ATOM 0 HB3 PHE A 40 12.673 7.585 -41.710 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.422 9.740 -38.877 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.055 5.795 -40.449 1.00 0.00 H new ATOM 0 HE1 PHE A 40 10.498 8.690 -36.798 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.673 4.795 -38.629 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.792 6.323 -36.830 1.00 0.00 H new ATOM 64 N ILE A 41 15.601 7.370 -40.240 1.00 0.00 N ATOM 65 CA ILE A 41 16.585 6.302 -40.432 1.00 0.00 C ATOM 66 C ILE A 41 16.550 5.264 -39.294 1.00 0.00 C ATOM 67 O ILE A 41 16.741 5.634 -38.133 1.00 0.00 O ATOM 68 CB ILE A 41 18.035 6.913 -40.477 1.00 0.00 C ATOM 69 CG1 ILE A 41 18.281 8.190 -41.314 1.00 0.00 C ATOM 70 CG2 ILE A 41 19.148 5.898 -40.875 1.00 0.00 C ATOM 71 CD1 ILE A 41 19.685 8.779 -41.235 1.00 0.00 C ATOM 0 H ILE A 41 15.396 7.485 -39.247 1.00 0.00 H new ATOM 0 HA ILE A 41 16.332 5.807 -41.370 1.00 0.00 H new ATOM 0 HB ILE A 41 18.100 7.205 -39.429 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.061 7.965 -42.358 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.570 8.952 -40.995 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.115 6.402 -40.881 1.00 0.00 H new ATOM 0 HG22 ILE A 41 19.170 5.081 -40.154 1.00 0.00 H new ATOM 0 HG23 ILE A 41 18.940 5.500 -41.868 1.00 0.00 H new ATOM 0 HD11 ILE A 41 19.742 9.670 -41.860 1.00 0.00 H new ATOM 0 HD12 ILE A 41 19.910 9.046 -40.202 1.00 0.00 H new ATOM 0 HD13 ILE A 41 20.409 8.043 -41.586 1.00 0.00 H new ATOM 83 N VAL A 42 16.366 4.017 -39.720 1.00 0.00 N ATOM 84 CA VAL A 42 15.952 2.979 -38.732 1.00 0.00 C ATOM 85 C VAL A 42 17.044 1.956 -38.556 1.00 0.00 C ATOM 86 O VAL A 42 17.521 1.388 -39.555 1.00 0.00 O ATOM 87 CB VAL A 42 14.643 2.312 -39.197 1.00 0.00 C ATOM 88 CG1 VAL A 42 13.930 1.640 -37.989 1.00 0.00 C ATOM 89 CG2 VAL A 42 13.613 3.329 -39.742 1.00 0.00 C ATOM 0 H VAL A 42 16.484 3.695 -40.681 1.00 0.00 H new ATOM 0 HA VAL A 42 15.778 3.453 -37.766 1.00 0.00 H new ATOM 0 HB VAL A 42 14.937 1.607 -39.974 1.00 0.00 H new ATOM 0 HG11 VAL A 42 13.006 1.171 -38.327 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.584 0.883 -37.556 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.700 2.394 -37.237 1.00 0.00 H new ATOM 0 HG21 VAL A 42 12.712 2.802 -40.054 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.362 4.046 -38.961 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.039 3.856 -40.595 1.00 0.00 H new ATOM 99 N ILE A 43 17.497 1.797 -37.303 1.00 0.00 N ATOM 100 CA ILE A 43 18.819 1.232 -36.888 1.00 0.00 C ATOM 101 C ILE A 43 18.616 0.229 -35.711 1.00 0.00 C ATOM 102 O ILE A 43 17.931 0.468 -34.723 1.00 0.00 O ATOM 103 CB ILE A 43 19.850 2.406 -36.614 1.00 0.00 C ATOM 104 CG1 ILE A 43 19.770 3.568 -37.631 1.00 0.00 C ATOM 105 CG2 ILE A 43 21.292 1.834 -36.599 1.00 0.00 C ATOM 106 CD1 ILE A 43 20.953 4.560 -37.738 1.00 0.00 C ATOM 0 H ILE A 43 16.932 2.069 -36.499 1.00 0.00 H new ATOM 0 HA ILE A 43 19.268 0.646 -37.690 1.00 0.00 H new ATOM 0 HB ILE A 43 19.581 2.828 -35.645 1.00 0.00 H new ATOM 0 HG12 ILE A 43 19.618 3.131 -38.618 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.876 4.147 -37.398 1.00 0.00 H new ATOM 0 HG21 ILE A 43 22.001 2.640 -36.411 1.00 0.00 H new ATOM 0 HG22 ILE A 43 21.378 1.084 -35.813 1.00 0.00 H new ATOM 0 HG23 ILE A 43 21.512 1.375 -37.563 1.00 0.00 H new ATOM 0 HD11 ILE A 43 20.732 5.310 -38.498 1.00 0.00 H new ATOM 0 HD12 ILE A 43 21.104 5.051 -36.777 1.00 0.00 H new ATOM 0 HD13 ILE A 43 21.858 4.019 -38.015 1.00 0.00 H new ATOM 439 N HIS B 17 11.092 -0.538 -28.484 1.00 0.00 N ATOM 440 CA HIS B 17 11.786 0.602 -29.044 1.00 0.00 C ATOM 441 C HIS B 17 11.685 1.931 -28.304 1.00 0.00 C ATOM 442 O HIS B 17 10.640 2.301 -27.745 1.00 0.00 O ATOM 443 CB HIS B 17 11.328 0.710 -30.510 1.00 0.00 C ATOM 444 CG HIS B 17 11.466 -0.496 -31.362 1.00 0.00 C ATOM 445 ND1 HIS B 17 10.365 -1.166 -32.084 1.00 0.00 N ATOM 446 CD2 HIS B 17 12.646 -1.147 -31.670 1.00 0.00 C ATOM 447 CE1 HIS B 17 10.991 -2.159 -32.711 1.00 0.00 C ATOM 448 NE2 HIS B 17 12.265 -2.256 -32.391 1.00 0.00 N ATOM 0 HA HIS B 17 12.854 0.407 -28.943 1.00 0.00 H new ATOM 0 HB2 HIS B 17 10.279 1.006 -30.514 1.00 0.00 H new ATOM 0 HB3 HIS B 17 11.889 1.519 -30.979 1.00 0.00 H new ATOM 0 HD2 HIS B 17 13.649 -0.850 -31.403 1.00 0.00 H new ATOM 0 HE1 HIS B 17 10.503 -2.820 -33.412 1.00 0.00 H new ATOM 0 HE2 HIS B 17 12.876 -3.034 -32.639 1.00 0.00 H new ATOM 456 N ILE B 18 12.721 2.759 -28.372 1.00 0.00 N ATOM 457 CA ILE B 18 12.757 4.199 -28.015 1.00 0.00 C ATOM 458 C ILE B 18 12.961 5.007 -29.315 1.00 0.00 C ATOM 459 O ILE B 18 13.661 4.538 -30.240 1.00 0.00 O ATOM 460 CB ILE B 18 13.909 4.360 -26.960 1.00 0.00 C ATOM 461 CG1 ILE B 18 13.915 5.767 -26.387 1.00 0.00 C ATOM 462 CG2 ILE B 18 15.305 3.919 -27.522 1.00 0.00 C ATOM 463 CD1 ILE B 18 14.837 5.859 -25.137 1.00 0.00 C ATOM 0 H ILE B 18 13.630 2.432 -28.700 1.00 0.00 H new ATOM 0 HA ILE B 18 11.838 4.575 -27.566 1.00 0.00 H new ATOM 0 HB ILE B 18 13.706 3.676 -26.136 1.00 0.00 H new ATOM 0 HG12 ILE B 18 14.256 6.471 -27.146 1.00 0.00 H new ATOM 0 HG13 ILE B 18 12.900 6.057 -26.116 1.00 0.00 H new ATOM 0 HG21 ILE B 18 16.065 4.051 -26.752 1.00 0.00 H new ATOM 0 HG22 ILE B 18 15.264 2.870 -27.816 1.00 0.00 H new ATOM 0 HG23 ILE B 18 15.557 4.529 -28.389 1.00 0.00 H new ATOM 0 HD11 ILE B 18 14.822 6.877 -24.748 1.00 0.00 H new ATOM 0 HD12 ILE B 18 14.480 5.172 -24.370 1.00 0.00 H new ATOM 0 HD13 ILE B 18 15.856 5.592 -25.416 1.00 0.00 H new ATOM 475 N ASN B 19 12.405 6.210 -29.316 1.00 0.00 N ATOM 476 CA ASN B 19 12.446 7.159 -30.421 1.00 0.00 C ATOM 477 C ASN B 19 13.493 8.183 -29.941 1.00 0.00 C ATOM 478 O ASN B 19 13.537 8.699 -28.821 1.00 0.00 O ATOM 479 CB ASN B 19 11.084 7.844 -30.550 1.00 0.00 C ATOM 480 CG ASN B 19 9.901 6.792 -30.687 1.00 0.00 C ATOM 481 OD1 ASN B 19 9.501 6.446 -31.811 1.00 0.00 O ATOM 482 ND2 ASN B 19 9.192 6.399 -29.691 1.00 0.00 N ATOM 0 H ASN B 19 11.890 6.568 -28.511 1.00 0.00 H new ATOM 0 HA ASN B 19 12.680 6.708 -31.385 1.00 0.00 H new ATOM 0 HB2 ASN B 19 10.910 8.474 -29.677 1.00 0.00 H new ATOM 0 HB3 ASN B 19 11.089 8.500 -31.420 1.00 0.00 H new ATOM 0 HD21 ASN B 19 8.356 5.837 -29.850 1.00 0.00 H new ATOM 0 HD22 ASN B 19 9.465 6.649 -28.740 1.00 0.00 H new ATOM 489 N LEU B 20 14.373 8.543 -30.827 1.00 0.00 N ATOM 490 CA LEU B 20 15.314 9.669 -30.666 1.00 0.00 C ATOM 491 C LEU B 20 15.510 10.551 -31.930 1.00 0.00 C ATOM 492 O LEU B 20 15.068 10.197 -32.987 1.00 0.00 O ATOM 493 CB LEU B 20 16.722 9.143 -30.243 1.00 0.00 C ATOM 494 CG LEU B 20 16.822 8.746 -28.751 1.00 0.00 C ATOM 495 CD1 LEU B 20 18.162 8.100 -28.412 1.00 0.00 C ATOM 496 CD2 LEU B 20 16.838 10.050 -27.860 1.00 0.00 C ATOM 0 H LEU B 20 14.479 8.061 -31.719 1.00 0.00 H new ATOM 0 HA LEU B 20 14.855 10.294 -29.900 1.00 0.00 H new ATOM 0 HB2 LEU B 20 16.975 8.278 -30.856 1.00 0.00 H new ATOM 0 HB3 LEU B 20 17.465 9.912 -30.455 1.00 0.00 H new ATOM 0 HG LEU B 20 15.983 8.075 -28.570 1.00 0.00 H new ATOM 0 HD11 LEU B 20 18.183 7.840 -27.354 1.00 0.00 H new ATOM 0 HD12 LEU B 20 18.293 7.198 -29.010 1.00 0.00 H new ATOM 0 HD13 LEU B 20 18.969 8.800 -28.629 1.00 0.00 H new ATOM 0 HD21 LEU B 20 16.908 9.771 -26.809 1.00 0.00 H new ATOM 0 HD22 LEU B 20 17.696 10.665 -28.131 1.00 0.00 H new ATOM 0 HD23 LEU B 20 15.920 10.615 -28.025 1.00 0.00 H new ATOM 508 N LYS B 21 16.267 11.623 -31.780 1.00 0.00 N ATOM 509 CA LYS B 21 16.758 12.522 -32.927 1.00 0.00 C ATOM 510 C LYS B 21 18.132 12.870 -32.656 1.00 0.00 C ATOM 511 O LYS B 21 18.608 12.860 -31.524 1.00 0.00 O ATOM 512 CB LYS B 21 15.955 13.857 -32.971 1.00 0.00 C ATOM 513 CG LYS B 21 14.463 13.568 -33.245 1.00 0.00 C ATOM 514 CD LYS B 21 13.661 14.906 -33.326 1.00 0.00 C ATOM 515 CE LYS B 21 12.292 14.738 -33.947 1.00 0.00 C ATOM 516 NZ LYS B 21 11.599 16.039 -33.925 1.00 0.00 N ATOM 0 H LYS B 21 16.588 11.938 -30.865 1.00 0.00 H new ATOM 0 HA LYS B 21 16.636 11.988 -33.869 1.00 0.00 H new ATOM 0 HB2 LYS B 21 16.063 14.387 -32.025 1.00 0.00 H new ATOM 0 HB3 LYS B 21 16.357 14.507 -33.748 1.00 0.00 H new ATOM 0 HG2 LYS B 21 14.358 13.015 -34.178 1.00 0.00 H new ATOM 0 HG3 LYS B 21 14.056 12.939 -32.454 1.00 0.00 H new ATOM 0 HD2 LYS B 21 13.551 15.318 -32.323 1.00 0.00 H new ATOM 0 HD3 LYS B 21 14.231 15.630 -33.908 1.00 0.00 H new ATOM 0 HE2 LYS B 21 12.384 14.376 -34.971 1.00 0.00 H new ATOM 0 HE3 LYS B 21 11.716 13.994 -33.396 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 10.655 15.937 -34.350 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 11.503 16.365 -32.942 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 12.149 16.735 -34.468 1.00 0.00 H new ATOM 530 N VAL B 22 18.814 13.375 -33.655 1.00 0.00 N ATOM 531 CA VAL B 22 20.183 13.918 -33.611 1.00 0.00 C ATOM 532 C VAL B 22 20.056 15.224 -34.410 1.00 0.00 C ATOM 533 O VAL B 22 19.671 15.192 -35.593 1.00 0.00 O ATOM 534 CB VAL B 22 21.149 12.953 -34.250 1.00 0.00 C ATOM 535 CG1 VAL B 22 22.558 13.632 -34.394 1.00 0.00 C ATOM 536 CG2 VAL B 22 21.333 11.647 -33.493 1.00 0.00 C ATOM 0 H VAL B 22 18.415 13.429 -34.592 1.00 0.00 H new ATOM 0 HA VAL B 22 20.567 14.082 -32.604 1.00 0.00 H new ATOM 0 HB VAL B 22 20.710 12.704 -35.216 1.00 0.00 H new ATOM 0 HG11 VAL B 22 23.254 12.932 -34.856 1.00 0.00 H new ATOM 0 HG12 VAL B 22 22.471 14.522 -35.017 1.00 0.00 H new ATOM 0 HG13 VAL B 22 22.928 13.914 -33.408 1.00 0.00 H new ATOM 0 HG21 VAL B 22 22.044 11.015 -34.025 1.00 0.00 H new ATOM 0 HG22 VAL B 22 21.711 11.857 -32.493 1.00 0.00 H new ATOM 0 HG23 VAL B 22 20.375 11.132 -33.418 1.00 0.00 H new ATOM 546 N ALA B 23 20.226 16.400 -33.785 1.00 0.00 N ATOM 547 CA ALA B 23 19.822 17.739 -34.344 1.00 0.00 C ATOM 548 C ALA B 23 20.980 18.720 -34.096 1.00 0.00 C ATOM 549 O ALA B 23 21.531 18.969 -33.021 1.00 0.00 O ATOM 550 CB ALA B 23 18.624 18.235 -33.599 1.00 0.00 C ATOM 0 H ALA B 23 20.653 16.469 -32.861 1.00 0.00 H new ATOM 0 HA ALA B 23 19.595 17.656 -35.407 1.00 0.00 H new ATOM 0 HB1 ALA B 23 18.324 19.204 -33.997 1.00 0.00 H new ATOM 0 HB2 ALA B 23 17.804 17.526 -33.715 1.00 0.00 H new ATOM 0 HB3 ALA B 23 18.869 18.337 -32.542 1.00 0.00 H new ATOM 556 N GLY B 24 21.456 19.351 -35.204 1.00 0.00 N ATOM 557 CA GLY B 24 22.590 20.262 -35.187 1.00 0.00 C ATOM 558 C GLY B 24 22.140 21.684 -34.827 1.00 0.00 C ATOM 559 O GLY B 24 20.995 22.122 -34.937 1.00 0.00 O ATOM 0 H GLY B 24 21.048 19.228 -36.131 1.00 0.00 H new ATOM 0 HA2 GLY B 24 23.330 19.916 -34.465 1.00 0.00 H new ATOM 0 HA3 GLY B 24 23.075 20.265 -36.163 1.00 0.00 H new ATOM 563 N GLN B 25 23.058 22.467 -34.201 1.00 0.00 N ATOM 564 CA GLN B 25 22.840 23.849 -33.855 1.00 0.00 C ATOM 565 C GLN B 25 22.670 24.692 -35.120 1.00 0.00 C ATOM 566 O GLN B 25 21.935 25.673 -35.091 1.00 0.00 O ATOM 567 CB GLN B 25 23.919 24.458 -32.995 1.00 0.00 C ATOM 568 CG GLN B 25 24.109 23.886 -31.592 1.00 0.00 C ATOM 569 CD GLN B 25 22.857 23.220 -31.028 1.00 0.00 C ATOM 570 OE1 GLN B 25 21.916 23.894 -30.617 1.00 0.00 O ATOM 571 NE2 GLN B 25 22.800 21.913 -30.714 1.00 0.00 N ATOM 0 H GLN B 25 23.979 22.125 -33.929 1.00 0.00 H new ATOM 0 HA GLN B 25 21.929 23.854 -33.256 1.00 0.00 H new ATOM 0 HB2 GLN B 25 24.866 24.365 -33.527 1.00 0.00 H new ATOM 0 HB3 GLN B 25 23.711 25.524 -32.898 1.00 0.00 H new ATOM 0 HG2 GLN B 25 24.920 23.158 -31.613 1.00 0.00 H new ATOM 0 HG3 GLN B 25 24.418 24.688 -30.921 1.00 0.00 H new ATOM 0 HE21 GLN B 25 23.542 21.283 -31.017 1.00 0.00 H new ATOM 0 HE22 GLN B 25 22.014 21.552 -30.173 1.00 0.00 H new ATOM 580 N ASP B 26 23.113 24.249 -36.310 1.00 0.00 N ATOM 581 CA ASP B 26 22.838 24.752 -37.650 1.00 0.00 C ATOM 582 C ASP B 26 21.488 24.390 -38.345 1.00 0.00 C ATOM 583 O ASP B 26 21.244 24.821 -39.443 1.00 0.00 O ATOM 584 CB ASP B 26 24.021 24.147 -38.475 1.00 0.00 C ATOM 585 CG ASP B 26 23.936 22.624 -38.727 1.00 0.00 C ATOM 586 OD1 ASP B 26 23.037 21.884 -38.340 1.00 0.00 O ATOM 587 OD2 ASP B 26 24.953 22.083 -39.289 1.00 0.00 O ATOM 0 H ASP B 26 23.738 23.444 -36.350 1.00 0.00 H new ATOM 0 HA ASP B 26 22.748 25.837 -37.590 1.00 0.00 H new ATOM 0 HB2 ASP B 26 24.070 24.656 -39.437 1.00 0.00 H new ATOM 0 HB3 ASP B 26 24.954 24.361 -37.953 1.00 0.00 H new ATOM 592 N GLY B 27 20.599 23.757 -37.572 1.00 0.00 N ATOM 593 CA GLY B 27 19.251 23.260 -37.861 1.00 0.00 C ATOM 594 C GLY B 27 19.020 21.990 -38.748 1.00 0.00 C ATOM 595 O GLY B 27 17.904 21.688 -39.185 1.00 0.00 O ATOM 0 H GLY B 27 20.842 23.556 -36.602 1.00 0.00 H new ATOM 0 HA2 GLY B 27 18.772 23.067 -36.901 1.00 0.00 H new ATOM 0 HA3 GLY B 27 18.706 24.078 -38.331 1.00 0.00 H new ATOM 599 N SER B 28 20.077 21.225 -38.908 1.00 0.00 N ATOM 600 CA SER B 28 19.979 19.840 -39.534 1.00 0.00 C ATOM 601 C SER B 28 19.506 18.769 -38.544 1.00 0.00 C ATOM 602 O SER B 28 19.778 18.860 -37.324 1.00 0.00 O ATOM 603 CB SER B 28 21.328 19.518 -40.118 1.00 0.00 C ATOM 604 OG SER B 28 22.379 19.482 -39.221 1.00 0.00 O ATOM 0 H SER B 28 21.021 21.495 -38.631 1.00 0.00 H new ATOM 0 HA SER B 28 19.218 19.844 -40.314 1.00 0.00 H new ATOM 0 HB2 SER B 28 21.266 18.550 -40.615 1.00 0.00 H new ATOM 0 HB3 SER B 28 21.556 20.257 -40.886 1.00 0.00 H new ATOM 0 HG SER B 28 22.814 20.360 -39.192 1.00 0.00 H new ATOM 610 N VAL B 29 18.799 17.810 -39.085 1.00 0.00 N ATOM 611 CA VAL B 29 17.918 16.983 -38.235 1.00 0.00 C ATOM 612 C VAL B 29 17.702 15.591 -38.895 1.00 0.00 C ATOM 613 O VAL B 29 17.409 15.498 -40.087 1.00 0.00 O ATOM 614 CB VAL B 29 16.522 17.595 -38.021 1.00 0.00 C ATOM 615 CG1 VAL B 29 16.437 18.333 -36.653 1.00 0.00 C ATOM 616 CG2 VAL B 29 16.117 18.396 -39.198 1.00 0.00 C ATOM 0 H VAL B 29 18.799 17.571 -40.077 1.00 0.00 H new ATOM 0 HA VAL B 29 18.422 16.913 -37.271 1.00 0.00 H new ATOM 0 HB VAL B 29 15.778 16.801 -37.950 1.00 0.00 H new ATOM 0 HG11 VAL B 29 15.440 18.755 -36.529 1.00 0.00 H new ATOM 0 HG12 VAL B 29 16.635 17.628 -35.846 1.00 0.00 H new ATOM 0 HG13 VAL B 29 17.176 19.134 -36.625 1.00 0.00 H new ATOM 0 HG21 VAL B 29 15.128 18.820 -39.027 1.00 0.00 H new ATOM 0 HG22 VAL B 29 16.835 19.201 -39.354 1.00 0.00 H new ATOM 0 HG23 VAL B 29 16.090 17.757 -40.081 1.00 0.00 H new ATOM 626 N VAL B 30 17.630 14.487 -38.107 1.00 0.00 N ATOM 627 CA VAL B 30 16.986 13.201 -38.443 1.00 0.00 C ATOM 628 C VAL B 30 16.412 12.510 -37.204 1.00 0.00 C ATOM 629 O VAL B 30 17.019 12.509 -36.157 1.00 0.00 O ATOM 630 CB VAL B 30 17.896 12.172 -39.162 1.00 0.00 C ATOM 631 CG1 VAL B 30 17.321 11.789 -40.562 1.00 0.00 C ATOM 632 CG2 VAL B 30 19.327 12.677 -39.360 1.00 0.00 C ATOM 0 H VAL B 30 18.042 14.475 -37.174 1.00 0.00 H new ATOM 0 HA VAL B 30 16.201 13.497 -39.138 1.00 0.00 H new ATOM 0 HB VAL B 30 17.919 11.301 -38.507 1.00 0.00 H new ATOM 0 HG11 VAL B 30 17.981 11.066 -41.041 1.00 0.00 H new ATOM 0 HG12 VAL B 30 16.330 11.351 -40.441 1.00 0.00 H new ATOM 0 HG13 VAL B 30 17.249 12.682 -41.183 1.00 0.00 H new ATOM 0 HG21 VAL B 30 19.915 11.913 -39.868 1.00 0.00 H new ATOM 0 HG22 VAL B 30 19.312 13.585 -39.963 1.00 0.00 H new ATOM 0 HG23 VAL B 30 19.774 12.893 -38.390 1.00 0.00 H new ATOM 642 N GLN B 31 15.280 11.771 -37.416 1.00 0.00 N ATOM 643 CA GLN B 31 14.644 10.853 -36.439 1.00 0.00 C ATOM 644 C GLN B 31 15.037 9.370 -36.511 1.00 0.00 C ATOM 645 O GLN B 31 15.025 8.762 -37.573 1.00 0.00 O ATOM 646 CB GLN B 31 13.147 11.122 -36.392 1.00 0.00 C ATOM 647 CG GLN B 31 12.547 10.463 -35.155 1.00 0.00 C ATOM 648 CD GLN B 31 11.136 11.035 -34.982 1.00 0.00 C ATOM 649 OE1 GLN B 31 10.890 12.220 -34.928 1.00 0.00 O ATOM 650 NE2 GLN B 31 10.070 10.203 -34.836 1.00 0.00 N ATOM 0 H GLN B 31 14.776 11.805 -38.302 1.00 0.00 H new ATOM 0 HA GLN B 31 15.075 11.098 -35.468 1.00 0.00 H new ATOM 0 HB2 GLN B 31 12.961 12.196 -36.371 1.00 0.00 H new ATOM 0 HB3 GLN B 31 12.669 10.733 -37.291 1.00 0.00 H new ATOM 0 HG2 GLN B 31 12.512 9.380 -35.274 1.00 0.00 H new ATOM 0 HG3 GLN B 31 13.157 10.668 -34.275 1.00 0.00 H new ATOM 0 HE21 GLN B 31 10.203 9.192 -34.871 1.00 0.00 H new ATOM 0 HE22 GLN B 31 9.137 10.590 -34.692 1.00 0.00 H new ATOM 659 N PHE B 32 15.211 8.715 -35.369 1.00 0.00 N ATOM 660 CA PHE B 32 15.755 7.327 -35.212 1.00 0.00 C ATOM 661 C PHE B 32 14.949 6.500 -34.193 1.00 0.00 C ATOM 662 O PHE B 32 15.037 6.720 -32.969 1.00 0.00 O ATOM 663 CB PHE B 32 17.265 7.408 -34.921 1.00 0.00 C ATOM 664 CG PHE B 32 18.166 8.202 -35.807 1.00 0.00 C ATOM 665 CD1 PHE B 32 18.369 9.594 -35.550 1.00 0.00 C ATOM 666 CD2 PHE B 32 18.928 7.514 -36.765 1.00 0.00 C ATOM 667 CE1 PHE B 32 19.460 10.256 -36.267 1.00 0.00 C ATOM 668 CE2 PHE B 32 19.846 8.191 -37.534 1.00 0.00 C ATOM 669 CZ PHE B 32 20.168 9.573 -37.276 1.00 0.00 C ATOM 0 H PHE B 32 14.972 9.137 -34.472 1.00 0.00 H new ATOM 0 HA PHE B 32 15.637 6.775 -36.144 1.00 0.00 H new ATOM 0 HB2 PHE B 32 17.377 7.803 -33.911 1.00 0.00 H new ATOM 0 HB3 PHE B 32 17.645 6.387 -34.908 1.00 0.00 H new ATOM 0 HD1 PHE B 32 17.743 10.135 -34.855 1.00 0.00 H new ATOM 0 HD2 PHE B 32 18.793 6.451 -36.898 1.00 0.00 H new ATOM 0 HE1 PHE B 32 19.724 11.274 -36.021 1.00 0.00 H new ATOM 0 HE2 PHE B 32 20.336 7.677 -38.348 1.00 0.00 H new ATOM 0 HZ PHE B 32 20.937 10.075 -37.845 1.00 0.00 H new ATOM 679 N LYS B 33 14.002 5.689 -34.651 1.00 0.00 N ATOM 680 CA LYS B 33 13.506 4.576 -33.809 1.00 0.00 C ATOM 681 C LYS B 33 14.640 3.521 -33.720 1.00 0.00 C ATOM 682 O LYS B 33 14.985 2.976 -34.780 1.00 0.00 O ATOM 683 CB LYS B 33 12.282 3.919 -34.471 1.00 0.00 C ATOM 684 CG LYS B 33 11.594 2.857 -33.572 1.00 0.00 C ATOM 685 CD LYS B 33 10.241 2.258 -34.044 1.00 0.00 C ATOM 686 CE LYS B 33 9.104 3.256 -34.455 1.00 0.00 C ATOM 687 NZ LYS B 33 7.903 2.501 -34.857 1.00 0.00 N ATOM 0 H LYS B 33 13.566 5.765 -35.570 1.00 0.00 H new ATOM 0 HA LYS B 33 13.223 4.948 -32.824 1.00 0.00 H new ATOM 0 HB2 LYS B 33 11.558 4.692 -34.727 1.00 0.00 H new ATOM 0 HB3 LYS B 33 12.591 3.449 -35.405 1.00 0.00 H new ATOM 0 HG2 LYS B 33 12.294 2.032 -33.437 1.00 0.00 H new ATOM 0 HG3 LYS B 33 11.435 3.304 -32.591 1.00 0.00 H new ATOM 0 HD2 LYS B 33 10.441 1.609 -34.896 1.00 0.00 H new ATOM 0 HD3 LYS B 33 9.858 1.625 -33.244 1.00 0.00 H new ATOM 0 HE2 LYS B 33 8.868 3.917 -33.621 1.00 0.00 H new ATOM 0 HE3 LYS B 33 9.441 3.888 -35.277 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 7.150 3.165 -35.129 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 8.133 1.888 -35.665 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 7.578 1.917 -34.061 1.00 0.00 H new ATOM 701 N ILE B 34 15.067 3.157 -32.500 1.00 0.00 N ATOM 702 CA ILE B 34 16.153 2.233 -32.177 1.00 0.00 C ATOM 703 C ILE B 34 15.812 1.309 -30.958 1.00 0.00 C ATOM 704 O ILE B 34 14.978 1.687 -30.158 1.00 0.00 O ATOM 705 CB ILE B 34 17.429 3.039 -31.935 1.00 0.00 C ATOM 706 CG1 ILE B 34 17.408 3.980 -30.719 1.00 0.00 C ATOM 707 CG2 ILE B 34 17.773 3.762 -33.251 1.00 0.00 C ATOM 708 CD1 ILE B 34 18.772 4.658 -30.388 1.00 0.00 C ATOM 0 H ILE B 34 14.628 3.530 -31.658 1.00 0.00 H new ATOM 0 HA ILE B 34 16.301 1.560 -33.022 1.00 0.00 H new ATOM 0 HB ILE B 34 18.217 2.340 -31.655 1.00 0.00 H new ATOM 0 HG12 ILE B 34 16.665 4.758 -30.894 1.00 0.00 H new ATOM 0 HG13 ILE B 34 17.079 3.415 -29.847 1.00 0.00 H new ATOM 0 HG21 ILE B 34 18.681 4.350 -33.117 1.00 0.00 H new ATOM 0 HG22 ILE B 34 17.930 3.026 -34.040 1.00 0.00 H new ATOM 0 HG23 ILE B 34 16.951 4.422 -33.529 1.00 0.00 H new ATOM 0 HD11 ILE B 34 18.656 5.302 -29.516 1.00 0.00 H new ATOM 0 HD12 ILE B 34 19.518 3.891 -30.177 1.00 0.00 H new ATOM 0 HD13 ILE B 34 19.097 5.256 -31.240 1.00 0.00 H new ATOM 720 N LYS B 35 16.532 0.194 -30.747 1.00 0.00 N ATOM 721 CA LYS B 35 16.519 -0.615 -29.567 1.00 0.00 C ATOM 722 C LYS B 35 17.277 0.149 -28.442 1.00 0.00 C ATOM 723 O LYS B 35 18.197 0.866 -28.771 1.00 0.00 O ATOM 724 CB LYS B 35 17.057 -2.015 -29.884 1.00 0.00 C ATOM 725 CG LYS B 35 16.027 -2.808 -30.672 1.00 0.00 C ATOM 726 CD LYS B 35 16.592 -4.104 -31.101 1.00 0.00 C ATOM 727 CE LYS B 35 15.610 -4.899 -31.966 1.00 0.00 C ATOM 728 NZ LYS B 35 16.164 -6.263 -32.350 1.00 0.00 N ATOM 0 H LYS B 35 17.171 -0.169 -31.454 1.00 0.00 H new ATOM 0 HA LYS B 35 15.508 -0.786 -29.198 1.00 0.00 H new ATOM 0 HB2 LYS B 35 17.981 -1.936 -30.456 1.00 0.00 H new ATOM 0 HB3 LYS B 35 17.299 -2.538 -28.959 1.00 0.00 H new ATOM 0 HG2 LYS B 35 15.141 -2.975 -30.059 1.00 0.00 H new ATOM 0 HG3 LYS B 35 15.708 -2.237 -31.544 1.00 0.00 H new ATOM 0 HD2 LYS B 35 17.511 -3.931 -31.661 1.00 0.00 H new ATOM 0 HD3 LYS B 35 16.860 -4.692 -30.223 1.00 0.00 H new ATOM 0 HE2 LYS B 35 14.672 -5.028 -31.425 1.00 0.00 H new ATOM 0 HE3 LYS B 35 15.382 -4.333 -32.869 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 15.468 -6.768 -32.935 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 17.045 -6.141 -32.888 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 16.358 -6.814 -31.489 1.00 0.00 H new ATOM 742 N ARG B 36 16.837 0.166 -27.161 1.00 0.00 N ATOM 743 CA ARG B 36 17.489 1.003 -26.108 1.00 0.00 C ATOM 744 C ARG B 36 18.971 0.711 -25.801 1.00 0.00 C ATOM 745 O ARG B 36 19.666 1.476 -25.246 1.00 0.00 O ATOM 746 CB ARG B 36 16.670 0.900 -24.819 1.00 0.00 C ATOM 747 CG ARG B 36 15.223 1.333 -24.875 1.00 0.00 C ATOM 748 CD ARG B 36 14.512 1.185 -23.469 1.00 0.00 C ATOM 749 NE ARG B 36 14.740 -0.225 -22.892 1.00 0.00 N ATOM 750 CZ ARG B 36 15.597 -0.472 -21.914 1.00 0.00 C ATOM 751 NH1 ARG B 36 16.189 0.413 -21.214 1.00 0.00 N ATOM 752 NH2 ARG B 36 15.928 -1.668 -21.624 1.00 0.00 N ATOM 0 H ARG B 36 16.043 -0.381 -26.828 1.00 0.00 H new ATOM 0 HA ARG B 36 17.501 2.011 -26.524 1.00 0.00 H new ATOM 0 HB2 ARG B 36 16.698 -0.137 -24.485 1.00 0.00 H new ATOM 0 HB3 ARG B 36 17.170 1.495 -24.055 1.00 0.00 H new ATOM 0 HG2 ARG B 36 15.166 2.371 -25.204 1.00 0.00 H new ATOM 0 HG3 ARG B 36 14.693 0.734 -25.616 1.00 0.00 H new ATOM 0 HD2 ARG B 36 14.900 1.934 -22.778 1.00 0.00 H new ATOM 0 HD3 ARG B 36 13.443 1.372 -23.574 1.00 0.00 H new ATOM 0 HE ARG B 36 14.207 -1.003 -23.281 1.00 0.00 H new ATOM 0 HH11 ARG B 36 16.016 1.403 -21.390 1.00 0.00 H new ATOM 0 HH12 ARG B 36 16.836 0.132 -20.478 1.00 0.00 H new ATOM 0 HH21 ARG B 36 15.531 -2.448 -22.148 1.00 0.00 H new ATOM 0 HH22 ARG B 36 16.590 -1.845 -20.868 1.00 0.00 H new ATOM 766 N HIS B 37 19.420 -0.456 -26.307 1.00 0.00 N ATOM 767 CA HIS B 37 20.857 -0.831 -26.292 1.00 0.00 C ATOM 768 C HIS B 37 21.572 -0.566 -27.601 1.00 0.00 C ATOM 769 O HIS B 37 22.782 -0.856 -27.745 1.00 0.00 O ATOM 770 CB HIS B 37 20.897 -2.240 -25.740 1.00 0.00 C ATOM 771 CG HIS B 37 20.534 -3.260 -26.847 1.00 0.00 C ATOM 772 ND1 HIS B 37 19.235 -3.368 -27.417 1.00 0.00 N ATOM 773 CD2 HIS B 37 21.337 -4.178 -27.344 1.00 0.00 C ATOM 774 CE1 HIS B 37 19.277 -4.367 -28.289 1.00 0.00 C ATOM 775 NE2 HIS B 37 20.539 -4.897 -28.233 1.00 0.00 N ATOM 0 H HIS B 37 18.812 -1.157 -26.731 1.00 0.00 H new ATOM 0 HA HIS B 37 21.454 -0.190 -25.643 1.00 0.00 H new ATOM 0 HB2 HIS B 37 21.891 -2.456 -25.348 1.00 0.00 H new ATOM 0 HB3 HIS B 37 20.199 -2.332 -24.908 1.00 0.00 H new ATOM 0 HD2 HIS B 37 22.380 -4.338 -27.114 1.00 0.00 H new ATOM 0 HE1 HIS B 37 18.469 -4.700 -28.923 1.00 0.00 H new ATOM 0 HE2 HIS B 37 20.852 -5.707 -28.768 1.00 0.00 H new ATOM 783 N THR B 38 21.050 -0.027 -28.679 1.00 0.00 N ATOM 784 CA THR B 38 21.840 0.342 -29.885 1.00 0.00 C ATOM 785 C THR B 38 22.838 1.406 -29.531 1.00 0.00 C ATOM 786 O THR B 38 22.417 2.431 -29.060 1.00 0.00 O ATOM 787 CB THR B 38 21.026 0.807 -31.080 1.00 0.00 C ATOM 788 OG1 THR B 38 20.089 -0.278 -31.305 1.00 0.00 O ATOM 789 CG2 THR B 38 21.849 1.060 -32.380 1.00 0.00 C ATOM 0 H THR B 38 20.055 0.180 -28.768 1.00 0.00 H new ATOM 0 HA THR B 38 22.325 -0.583 -30.198 1.00 0.00 H new ATOM 0 HB THR B 38 20.573 1.774 -30.861 1.00 0.00 H new ATOM 0 HG1 THR B 38 19.514 -0.060 -32.068 1.00 0.00 H new ATOM 0 HG21 THR B 38 21.180 1.388 -33.176 1.00 0.00 H new ATOM 0 HG22 THR B 38 22.597 1.831 -32.193 1.00 0.00 H new ATOM 0 HG23 THR B 38 22.346 0.138 -32.681 1.00 0.00 H new ATOM 797 N PRO B 39 24.130 1.213 -29.713 1.00 0.00 N ATOM 798 CA PRO B 39 25.182 2.191 -29.457 1.00 0.00 C ATOM 799 C PRO B 39 24.987 3.499 -30.204 1.00 0.00 C ATOM 800 O PRO B 39 24.768 3.504 -31.468 1.00 0.00 O ATOM 801 CB PRO B 39 26.531 1.535 -29.712 1.00 0.00 C ATOM 802 CG PRO B 39 26.262 0.059 -29.894 1.00 0.00 C ATOM 803 CD PRO B 39 24.759 -0.031 -30.163 1.00 0.00 C ATOM 0 HA PRO B 39 25.135 2.492 -28.410 1.00 0.00 H new ATOM 0 HB2 PRO B 39 27.005 1.955 -30.599 1.00 0.00 H new ATOM 0 HB3 PRO B 39 27.210 1.706 -28.876 1.00 0.00 H new ATOM 0 HG2 PRO B 39 26.838 -0.349 -30.724 1.00 0.00 H new ATOM 0 HG3 PRO B 39 26.540 -0.507 -29.005 1.00 0.00 H new ATOM 0 HD2 PRO B 39 24.573 -0.186 -31.226 1.00 0.00 H new ATOM 0 HD3 PRO B 39 24.331 -0.884 -29.637 1.00 0.00 H new ATOM 811 N LEU B 40 25.105 4.660 -29.538 1.00 0.00 N ATOM 812 CA LEU B 40 24.833 6.019 -30.077 1.00 0.00 C ATOM 813 C LEU B 40 25.883 6.378 -31.124 1.00 0.00 C ATOM 814 O LEU B 40 25.647 7.226 -31.997 1.00 0.00 O ATOM 815 CB LEU B 40 24.753 7.117 -28.960 1.00 0.00 C ATOM 816 CG LEU B 40 23.552 6.814 -28.051 1.00 0.00 C ATOM 817 CD1 LEU B 40 23.595 7.861 -26.853 1.00 0.00 C ATOM 818 CD2 LEU B 40 22.267 6.950 -28.763 1.00 0.00 C ATOM 0 H LEU B 40 25.406 4.687 -28.564 1.00 0.00 H new ATOM 0 HA LEU B 40 23.848 5.993 -30.543 1.00 0.00 H new ATOM 0 HB2 LEU B 40 25.674 7.129 -28.377 1.00 0.00 H new ATOM 0 HB3 LEU B 40 24.647 8.105 -29.409 1.00 0.00 H new ATOM 0 HG LEU B 40 23.620 5.784 -27.701 1.00 0.00 H new ATOM 0 HD11 LEU B 40 22.756 7.680 -26.181 1.00 0.00 H new ATOM 0 HD12 LEU B 40 24.530 7.748 -26.304 1.00 0.00 H new ATOM 0 HD13 LEU B 40 23.529 8.873 -27.252 1.00 0.00 H new ATOM 0 HD21 LEU B 40 21.447 6.726 -28.080 1.00 0.00 H new ATOM 0 HD22 LEU B 40 22.162 7.970 -29.134 1.00 0.00 H new ATOM 0 HD23 LEU B 40 22.241 6.255 -29.602 1.00 0.00 H new ATOM 830 N SER B 41 27.029 5.686 -31.220 1.00 0.00 N ATOM 831 CA SER B 41 28.010 5.644 -32.302 1.00 0.00 C ATOM 832 C SER B 41 27.303 5.505 -33.637 1.00 0.00 C ATOM 833 O SER B 41 27.649 6.234 -34.583 1.00 0.00 O ATOM 834 CB SER B 41 28.949 4.459 -32.135 1.00 0.00 C ATOM 835 OG SER B 41 28.255 3.201 -32.143 1.00 0.00 O ATOM 0 H SER B 41 27.317 5.077 -30.454 1.00 0.00 H new ATOM 0 HA SER B 41 28.583 6.571 -32.269 1.00 0.00 H new ATOM 0 HB2 SER B 41 29.687 4.468 -32.937 1.00 0.00 H new ATOM 0 HB3 SER B 41 29.496 4.562 -31.198 1.00 0.00 H new ATOM 0 HG SER B 41 28.900 2.471 -32.035 1.00 0.00 H new ATOM 841 N LYS B 42 26.257 4.660 -33.688 1.00 0.00 N ATOM 842 CA LYS B 42 25.499 4.352 -34.982 1.00 0.00 C ATOM 843 C LYS B 42 24.803 5.617 -35.525 1.00 0.00 C ATOM 844 O LYS B 42 24.980 5.931 -36.661 1.00 0.00 O ATOM 845 CB LYS B 42 24.689 3.028 -34.903 1.00 0.00 C ATOM 846 CG LYS B 42 25.625 1.857 -34.474 1.00 0.00 C ATOM 847 CD LYS B 42 25.081 0.441 -34.689 1.00 0.00 C ATOM 848 CE LYS B 42 25.075 -0.041 -36.119 1.00 0.00 C ATOM 849 NZ LYS B 42 24.705 -1.463 -36.274 1.00 0.00 N ATOM 0 H LYS B 42 25.896 4.166 -32.872 1.00 0.00 H new ATOM 0 HA LYS B 42 26.199 4.104 -35.780 1.00 0.00 H new ATOM 0 HB2 LYS B 42 23.873 3.133 -34.188 1.00 0.00 H new ATOM 0 HB3 LYS B 42 24.239 2.809 -35.871 1.00 0.00 H new ATOM 0 HG2 LYS B 42 26.563 1.950 -35.022 1.00 0.00 H new ATOM 0 HG3 LYS B 42 25.860 1.977 -33.416 1.00 0.00 H new ATOM 0 HD2 LYS B 42 25.674 -0.252 -34.093 1.00 0.00 H new ATOM 0 HD3 LYS B 42 24.062 0.400 -34.305 1.00 0.00 H new ATOM 0 HE2 LYS B 42 24.379 0.569 -36.694 1.00 0.00 H new ATOM 0 HE3 LYS B 42 26.065 0.115 -36.548 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 24.723 -1.719 -37.282 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 25.382 -2.057 -35.754 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 23.748 -1.616 -35.896 1.00 0.00 H new ATOM 863 N LEU B 43 23.994 6.233 -34.708 1.00 0.00 N ATOM 864 CA LEU B 43 23.312 7.515 -35.004 1.00 0.00 C ATOM 865 C LEU B 43 24.398 8.655 -35.218 1.00 0.00 C ATOM 866 O LEU B 43 24.229 9.535 -36.049 1.00 0.00 O ATOM 867 CB LEU B 43 22.431 7.869 -33.812 1.00 0.00 C ATOM 868 CG LEU B 43 21.072 7.151 -33.544 1.00 0.00 C ATOM 869 CD1 LEU B 43 21.346 5.760 -33.063 1.00 0.00 C ATOM 870 CD2 LEU B 43 20.349 7.857 -32.383 1.00 0.00 C ATOM 0 H LEU B 43 23.768 5.866 -33.784 1.00 0.00 H new ATOM 0 HA LEU B 43 22.709 7.425 -35.907 1.00 0.00 H new ATOM 0 HB2 LEU B 43 23.041 7.731 -32.919 1.00 0.00 H new ATOM 0 HB3 LEU B 43 22.214 8.934 -33.888 1.00 0.00 H new ATOM 0 HG LEU B 43 20.480 7.161 -34.459 1.00 0.00 H new ATOM 0 HD11 LEU B 43 20.403 5.248 -32.872 1.00 0.00 H new ATOM 0 HD12 LEU B 43 21.907 5.216 -33.823 1.00 0.00 H new ATOM 0 HD13 LEU B 43 21.929 5.801 -32.143 1.00 0.00 H new ATOM 0 HD21 LEU B 43 19.398 7.360 -32.191 1.00 0.00 H new ATOM 0 HD22 LEU B 43 20.969 7.813 -31.488 1.00 0.00 H new ATOM 0 HD23 LEU B 43 20.167 8.899 -32.647 1.00 0.00 H new ATOM 882 N MET B 44 25.511 8.629 -34.512 1.00 0.00 N ATOM 883 CA MET B 44 26.593 9.595 -34.776 1.00 0.00 C ATOM 884 C MET B 44 27.065 9.507 -36.241 1.00 0.00 C ATOM 885 O MET B 44 26.997 10.475 -36.966 1.00 0.00 O ATOM 886 CB MET B 44 27.722 9.525 -33.678 1.00 0.00 C ATOM 887 CG MET B 44 27.464 9.885 -32.205 1.00 0.00 C ATOM 888 SD MET B 44 28.431 9.089 -30.912 1.00 0.00 S ATOM 889 CE MET B 44 30.206 9.101 -31.393 1.00 0.00 C ATOM 0 H MET B 44 25.702 7.967 -33.760 1.00 0.00 H new ATOM 0 HA MET B 44 26.206 10.609 -34.676 1.00 0.00 H new ATOM 0 HB2 MET B 44 28.104 8.504 -33.688 1.00 0.00 H new ATOM 0 HB3 MET B 44 28.531 10.171 -34.020 1.00 0.00 H new ATOM 0 HG2 MET B 44 27.606 10.961 -32.103 1.00 0.00 H new ATOM 0 HG3 MET B 44 26.413 9.681 -31.999 1.00 0.00 H new ATOM 0 HE1 MET B 44 30.797 8.620 -30.614 1.00 0.00 H new ATOM 0 HE2 MET B 44 30.333 8.560 -32.331 1.00 0.00 H new ATOM 0 HE3 MET B 44 30.542 10.130 -31.520 1.00 0.00 H new ATOM 899 N LYS B 45 27.379 8.252 -36.692 1.00 0.00 N ATOM 900 CA LYS B 45 27.861 7.854 -38.032 1.00 0.00 C ATOM 901 C LYS B 45 26.870 8.067 -39.166 1.00 0.00 C ATOM 902 O LYS B 45 27.229 8.463 -40.268 1.00 0.00 O ATOM 903 CB LYS B 45 28.325 6.399 -37.913 1.00 0.00 C ATOM 904 CG LYS B 45 29.725 6.358 -37.302 1.00 0.00 C ATOM 905 CD LYS B 45 30.221 4.908 -37.225 1.00 0.00 C ATOM 906 CE LYS B 45 31.038 4.687 -35.944 1.00 0.00 C ATOM 907 NZ LYS B 45 31.400 3.217 -35.839 1.00 0.00 N ATOM 0 H LYS B 45 27.292 7.444 -36.076 1.00 0.00 H new ATOM 0 HA LYS B 45 28.681 8.511 -38.322 1.00 0.00 H new ATOM 0 HB2 LYS B 45 27.629 5.834 -37.293 1.00 0.00 H new ATOM 0 HB3 LYS B 45 28.332 5.927 -38.895 1.00 0.00 H new ATOM 0 HG2 LYS B 45 30.411 6.954 -37.904 1.00 0.00 H new ATOM 0 HG3 LYS B 45 29.709 6.799 -36.305 1.00 0.00 H new ATOM 0 HD2 LYS B 45 29.372 4.225 -37.244 1.00 0.00 H new ATOM 0 HD3 LYS B 45 30.833 4.680 -38.098 1.00 0.00 H new ATOM 0 HE2 LYS B 45 31.941 5.297 -35.963 1.00 0.00 H new ATOM 0 HE3 LYS B 45 30.462 4.997 -35.072 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 31.954 3.057 -34.974 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 30.531 2.647 -35.804 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 31.964 2.938 -36.667 1.00 0.00 H new ATOM 921 N ALA B 46 25.569 7.764 -38.880 1.00 0.00 N ATOM 922 CA ALA B 46 24.484 7.920 -39.821 1.00 0.00 C ATOM 923 C ALA B 46 24.384 9.432 -40.150 1.00 0.00 C ATOM 924 O ALA B 46 24.612 9.863 -41.314 1.00 0.00 O ATOM 925 CB ALA B 46 23.194 7.397 -39.122 1.00 0.00 C ATOM 0 H ALA B 46 25.271 7.403 -37.974 1.00 0.00 H new ATOM 0 HA ALA B 46 24.632 7.365 -40.748 1.00 0.00 H new ATOM 0 HB1 ALA B 46 22.347 7.497 -39.800 1.00 0.00 H new ATOM 0 HB2 ALA B 46 23.324 6.348 -38.856 1.00 0.00 H new ATOM 0 HB3 ALA B 46 23.007 7.980 -38.220 1.00 0.00 H new ATOM 931 N TYR B 47 24.126 10.298 -39.198 1.00 0.00 N ATOM 932 CA TYR B 47 24.185 11.751 -39.250 1.00 0.00 C ATOM 933 C TYR B 47 25.410 12.345 -40.071 1.00 0.00 C ATOM 934 O TYR B 47 25.242 13.120 -41.001 1.00 0.00 O ATOM 935 CB TYR B 47 24.135 12.348 -37.806 1.00 0.00 C ATOM 936 CG TYR B 47 24.321 13.824 -37.717 1.00 0.00 C ATOM 937 CD1 TYR B 47 23.198 14.671 -37.793 1.00 0.00 C ATOM 938 CD2 TYR B 47 25.571 14.296 -37.580 1.00 0.00 C ATOM 939 CE1 TYR B 47 23.297 16.076 -37.725 1.00 0.00 C ATOM 940 CE2 TYR B 47 25.686 15.747 -37.669 1.00 0.00 C ATOM 941 CZ TYR B 47 24.565 16.599 -37.724 1.00 0.00 C ATOM 942 OH TYR B 47 24.734 17.937 -37.778 1.00 0.00 O ATOM 0 H TYR B 47 23.841 9.976 -38.273 1.00 0.00 H new ATOM 0 HA TYR B 47 23.302 12.058 -39.810 1.00 0.00 H new ATOM 0 HB2 TYR B 47 23.174 12.092 -37.359 1.00 0.00 H new ATOM 0 HB3 TYR B 47 24.905 11.865 -37.205 1.00 0.00 H new ATOM 0 HD1 TYR B 47 22.221 14.226 -37.908 1.00 0.00 H new ATOM 0 HD2 TYR B 47 26.423 13.652 -37.417 1.00 0.00 H new ATOM 0 HE1 TYR B 47 22.421 16.706 -37.676 1.00 0.00 H new ATOM 0 HE2 TYR B 47 26.672 16.187 -37.694 1.00 0.00 H new ATOM 0 HH TYR B 47 23.970 18.345 -38.237 1.00 0.00 H new ATOM 952 N CYS B 48 26.590 11.927 -39.683 1.00 0.00 N ATOM 953 CA CYS B 48 27.747 12.402 -40.342 1.00 0.00 C ATOM 954 C CYS B 48 27.933 12.106 -41.826 1.00 0.00 C ATOM 955 O CYS B 48 28.534 12.894 -42.510 1.00 0.00 O ATOM 956 CB CYS B 48 28.847 11.866 -39.534 1.00 0.00 C ATOM 957 SG CYS B 48 30.522 12.620 -39.744 1.00 0.00 S ATOM 0 H CYS B 48 26.758 11.268 -38.923 1.00 0.00 H new ATOM 0 HA CYS B 48 27.682 13.489 -40.395 1.00 0.00 H new ATOM 0 HB2 CYS B 48 28.567 11.959 -38.485 1.00 0.00 H new ATOM 0 HB3 CYS B 48 28.931 10.800 -39.748 1.00 0.00 H new ATOM 0 HG CYS B 48 30.681 12.986 -40.981 1.00 0.00 H new ATOM 963 N GLU B 49 27.491 11.002 -42.361 1.00 0.00 N ATOM 964 CA GLU B 49 27.326 10.866 -43.827 1.00 0.00 C ATOM 965 C GLU B 49 26.250 11.747 -44.487 1.00 0.00 C ATOM 966 O GLU B 49 26.634 12.472 -45.452 1.00 0.00 O ATOM 967 CB GLU B 49 27.062 9.417 -44.203 1.00 0.00 C ATOM 968 CG GLU B 49 28.284 8.514 -43.839 1.00 0.00 C ATOM 969 CD GLU B 49 27.939 7.059 -43.528 1.00 0.00 C ATOM 970 OE1 GLU B 49 26.839 6.520 -43.820 1.00 0.00 O ATOM 971 OE2 GLU B 49 28.871 6.446 -42.936 1.00 0.00 O ATOM 0 H GLU B 49 27.233 10.172 -41.827 1.00 0.00 H new ATOM 0 HA GLU B 49 28.277 11.227 -44.219 1.00 0.00 H new ATOM 0 HB2 GLU B 49 26.173 9.059 -43.684 1.00 0.00 H new ATOM 0 HB3 GLU B 49 26.858 9.346 -45.271 1.00 0.00 H new ATOM 0 HG2 GLU B 49 28.992 8.535 -44.667 1.00 0.00 H new ATOM 0 HG3 GLU B 49 28.791 8.945 -42.975 1.00 0.00 H new ATOM 978 N ARG B 50 25.027 11.900 -43.997 1.00 0.00 N ATOM 979 CA ARG B 50 23.891 12.726 -44.553 1.00 0.00 C ATOM 980 C ARG B 50 24.169 14.269 -44.494 1.00 0.00 C ATOM 981 O ARG B 50 23.430 15.028 -45.127 1.00 0.00 O ATOM 982 CB ARG B 50 22.503 12.519 -43.836 1.00 0.00 C ATOM 983 CG ARG B 50 21.905 11.139 -44.120 1.00 0.00 C ATOM 984 CD ARG B 50 20.389 11.242 -44.087 1.00 0.00 C ATOM 985 NE ARG B 50 19.643 9.993 -44.285 1.00 0.00 N ATOM 986 CZ ARG B 50 18.338 9.948 -44.505 1.00 0.00 C ATOM 987 NH1 ARG B 50 17.499 10.958 -44.316 1.00 0.00 N ATOM 988 NH2 ARG B 50 17.920 8.798 -44.836 1.00 0.00 N ATOM 0 H ARG B 50 24.752 11.427 -43.136 1.00 0.00 H new ATOM 0 HA ARG B 50 23.833 12.362 -45.579 1.00 0.00 H new ATOM 0 HB2 ARG B 50 22.629 12.644 -42.761 1.00 0.00 H new ATOM 0 HB3 ARG B 50 21.807 13.290 -44.167 1.00 0.00 H new ATOM 0 HG2 ARG B 50 22.237 10.778 -45.093 1.00 0.00 H new ATOM 0 HG3 ARG B 50 22.250 10.419 -43.378 1.00 0.00 H new ATOM 0 HD2 ARG B 50 20.097 11.665 -43.126 1.00 0.00 H new ATOM 0 HD3 ARG B 50 20.078 11.950 -44.855 1.00 0.00 H new ATOM 0 HE ARG B 50 20.157 9.113 -44.251 1.00 0.00 H new ATOM 0 HH11 ARG B 50 17.848 11.854 -43.976 1.00 0.00 H new ATOM 0 HH12 ARG B 50 16.505 10.838 -44.511 1.00 0.00 H new ATOM 0 HH21 ARG B 50 18.574 8.019 -44.910 1.00 0.00 H new ATOM 0 HH22 ARG B 50 16.929 8.651 -45.029 1.00 0.00 H new ATOM 1002 N GLN B 51 25.183 14.630 -43.703 1.00 0.00 N ATOM 1003 CA GLN B 51 25.781 16.014 -43.710 1.00 0.00 C ATOM 1004 C GLN B 51 27.211 16.269 -44.413 1.00 0.00 C ATOM 1005 O GLN B 51 27.609 17.443 -44.435 1.00 0.00 O ATOM 1006 CB GLN B 51 25.878 16.448 -42.225 1.00 0.00 C ATOM 1007 CG GLN B 51 24.566 16.333 -41.368 1.00 0.00 C ATOM 1008 CD GLN B 51 23.310 16.952 -41.915 1.00 0.00 C ATOM 1009 OE1 GLN B 51 22.167 16.437 -41.404 1.00 0.00 O flip ATOM 1010 NE2 GLN B 51 23.229 17.854 -42.663 1.00 0.00 N flip ATOM 0 H GLN B 51 25.625 13.996 -43.038 1.00 0.00 H new ATOM 0 HA GLN B 51 25.114 16.594 -44.347 1.00 0.00 H new ATOM 0 HB2 GLN B 51 26.651 15.848 -41.745 1.00 0.00 H new ATOM 0 HB3 GLN B 51 26.214 17.484 -42.195 1.00 0.00 H new ATOM 0 HG2 GLN B 51 24.370 15.274 -41.198 1.00 0.00 H new ATOM 0 HG3 GLN B 51 24.763 16.781 -40.394 1.00 0.00 H new ATOM 0 HE21 GLN B 51 24.074 18.262 -43.063 1.00 0.00 H new ATOM 0 HE22 GLN B 51 22.314 18.229 -42.912 1.00 0.00 H new ATOM 1019 N GLY B 52 27.832 15.262 -44.976 1.00 0.00 N ATOM 1020 CA GLY B 52 29.180 15.402 -45.595 1.00 0.00 C ATOM 1021 C GLY B 52 30.209 15.967 -44.695 1.00 0.00 C ATOM 1022 O GLY B 52 30.942 16.871 -45.090 1.00 0.00 O ATOM 0 H GLY B 52 27.444 14.320 -45.032 1.00 0.00 H new ATOM 0 HA2 GLY B 52 29.513 14.422 -45.938 1.00 0.00 H new ATOM 0 HA3 GLY B 52 29.097 16.037 -46.477 1.00 0.00 H new ATOM 1026 N LEU B 53 30.279 15.585 -43.448 1.00 0.00 N ATOM 1027 CA LEU B 53 31.149 16.085 -42.406 1.00 0.00 C ATOM 1028 C LEU B 53 32.375 15.214 -42.203 1.00 0.00 C ATOM 1029 O LEU B 53 32.249 14.018 -42.318 1.00 0.00 O ATOM 1030 CB LEU B 53 30.531 16.422 -41.040 1.00 0.00 C ATOM 1031 CG LEU B 53 29.233 17.218 -41.183 1.00 0.00 C ATOM 1032 CD1 LEU B 53 28.415 17.255 -39.917 1.00 0.00 C ATOM 1033 CD2 LEU B 53 29.410 18.578 -41.817 1.00 0.00 C ATOM 0 H LEU B 53 29.671 14.844 -43.098 1.00 0.00 H new ATOM 0 HA LEU B 53 31.420 17.054 -42.825 1.00 0.00 H new ATOM 0 HB2 LEU B 53 30.333 15.500 -40.493 1.00 0.00 H new ATOM 0 HB3 LEU B 53 31.246 16.995 -40.450 1.00 0.00 H new ATOM 0 HG LEU B 53 28.640 16.652 -41.902 1.00 0.00 H new ATOM 0 HD11 LEU B 53 27.508 17.835 -40.087 1.00 0.00 H new ATOM 0 HD12 LEU B 53 28.147 16.239 -39.627 1.00 0.00 H new ATOM 0 HD13 LEU B 53 28.998 17.718 -39.121 1.00 0.00 H new ATOM 0 HD21 LEU B 53 28.443 19.078 -41.882 1.00 0.00 H new ATOM 0 HD22 LEU B 53 30.088 19.177 -41.209 1.00 0.00 H new ATOM 0 HD23 LEU B 53 29.826 18.462 -42.818 1.00 0.00 H new ATOM 1045 N SER B 54 33.544 15.744 -41.729 1.00 0.00 N ATOM 1046 CA SER B 54 34.454 14.984 -40.856 1.00 0.00 C ATOM 1047 C SER B 54 33.747 14.879 -39.443 1.00 0.00 C ATOM 1048 O SER B 54 33.360 15.867 -38.799 1.00 0.00 O ATOM 1049 CB SER B 54 35.802 15.679 -40.706 1.00 0.00 C ATOM 1050 OG SER B 54 36.573 15.281 -39.536 1.00 0.00 O ATOM 0 H SER B 54 33.864 16.689 -41.943 1.00 0.00 H new ATOM 0 HA SER B 54 34.649 14.002 -41.287 1.00 0.00 H new ATOM 0 HB2 SER B 54 36.396 15.482 -41.598 1.00 0.00 H new ATOM 0 HB3 SER B 54 35.636 16.756 -40.664 1.00 0.00 H new ATOM 0 HG SER B 54 37.420 15.773 -39.520 1.00 0.00 H new ATOM 1056 N MET B 55 33.833 13.663 -38.811 1.00 0.00 N ATOM 1057 CA MET B 55 33.212 13.436 -37.505 1.00 0.00 C ATOM 1058 C MET B 55 34.109 13.951 -36.421 1.00 0.00 C ATOM 1059 O MET B 55 33.637 14.113 -35.289 1.00 0.00 O ATOM 1060 CB MET B 55 33.025 11.912 -37.320 1.00 0.00 C ATOM 1061 CG MET B 55 32.269 11.501 -35.959 1.00 0.00 C ATOM 1062 SD MET B 55 31.262 10.012 -35.970 1.00 0.00 S ATOM 1063 CE MET B 55 32.636 8.796 -35.755 1.00 0.00 C ATOM 0 H MET B 55 34.321 12.853 -39.194 1.00 0.00 H new ATOM 0 HA MET B 55 32.254 13.953 -37.453 1.00 0.00 H new ATOM 0 HB2 MET B 55 32.462 11.521 -38.168 1.00 0.00 H new ATOM 0 HB3 MET B 55 34.004 11.432 -37.338 1.00 0.00 H new ATOM 0 HG2 MET B 55 33.022 11.389 -35.179 1.00 0.00 H new ATOM 0 HG3 MET B 55 31.630 12.334 -35.667 1.00 0.00 H new ATOM 0 HE1 MET B 55 32.228 7.786 -35.734 1.00 0.00 H new ATOM 0 HE2 MET B 55 33.336 8.888 -36.585 1.00 0.00 H new ATOM 0 HE3 MET B 55 33.156 8.996 -34.818 1.00 0.00 H new ATOM 1073 N ARG B 56 35.395 14.219 -36.656 1.00 0.00 N ATOM 1074 CA ARG B 56 36.412 14.703 -35.776 1.00 0.00 C ATOM 1075 C ARG B 56 36.232 16.192 -35.391 1.00 0.00 C ATOM 1076 O ARG B 56 36.494 16.473 -34.257 1.00 0.00 O ATOM 1077 CB ARG B 56 37.786 14.450 -36.393 1.00 0.00 C ATOM 1078 CG ARG B 56 38.899 14.350 -35.293 1.00 0.00 C ATOM 1079 CD ARG B 56 40.343 14.035 -35.722 1.00 0.00 C ATOM 1080 NE ARG B 56 40.434 12.667 -36.334 1.00 0.00 N ATOM 1081 CZ ARG B 56 40.624 12.451 -37.605 1.00 0.00 C ATOM 1082 NH1 ARG B 56 41.149 13.335 -38.422 1.00 0.00 N ATOM 1083 NH2 ARG B 56 40.318 11.290 -37.955 1.00 0.00 N ATOM 0 H ARG B 56 35.775 14.077 -37.592 1.00 0.00 H new ATOM 0 HA ARG B 56 36.325 14.149 -34.841 1.00 0.00 H new ATOM 0 HB2 ARG B 56 37.762 13.527 -36.973 1.00 0.00 H new ATOM 0 HB3 ARG B 56 38.029 15.255 -37.086 1.00 0.00 H new ATOM 0 HG2 ARG B 56 38.915 15.297 -34.753 1.00 0.00 H new ATOM 0 HG3 ARG B 56 38.592 13.583 -34.582 1.00 0.00 H new ATOM 0 HD2 ARG B 56 40.685 14.782 -36.439 1.00 0.00 H new ATOM 0 HD3 ARG B 56 41.005 14.096 -34.858 1.00 0.00 H new ATOM 0 HE ARG B 56 40.342 11.859 -35.719 1.00 0.00 H new ATOM 0 HH11 ARG B 56 41.433 14.249 -38.070 1.00 0.00 H new ATOM 0 HH12 ARG B 56 41.273 13.107 -39.409 1.00 0.00 H new ATOM 0 HH21 ARG B 56 39.961 10.627 -37.267 1.00 0.00 H new ATOM 0 HH22 ARG B 56 40.425 11.006 -38.929 1.00 0.00 H new ATOM 1097 N GLN B 57 35.506 17.067 -36.140 1.00 0.00 N ATOM 1098 CA GLN B 57 35.368 18.497 -35.772 1.00 0.00 C ATOM 1099 C GLN B 57 34.101 18.876 -35.031 1.00 0.00 C ATOM 1100 O GLN B 57 33.792 20.008 -34.774 1.00 0.00 O ATOM 1101 CB GLN B 57 35.422 19.322 -37.051 1.00 0.00 C ATOM 1102 CG GLN B 57 34.269 19.045 -37.945 1.00 0.00 C ATOM 1103 CD GLN B 57 34.472 19.949 -39.140 1.00 0.00 C ATOM 1104 OE1 GLN B 57 35.229 19.709 -40.043 1.00 0.00 O ATOM 1105 NE2 GLN B 57 33.676 21.021 -39.195 1.00 0.00 N ATOM 0 H GLN B 57 35.013 16.806 -36.994 1.00 0.00 H new ATOM 0 HA GLN B 57 36.186 18.696 -35.079 1.00 0.00 H new ATOM 0 HB2 GLN B 57 35.437 20.382 -36.797 1.00 0.00 H new ATOM 0 HB3 GLN B 57 36.350 19.108 -37.581 1.00 0.00 H new ATOM 0 HG2 GLN B 57 34.244 17.997 -38.243 1.00 0.00 H new ATOM 0 HG3 GLN B 57 33.323 19.257 -37.446 1.00 0.00 H new ATOM 0 HE21 GLN B 57 33.035 21.221 -38.427 1.00 0.00 H new ATOM 0 HE22 GLN B 57 33.709 21.640 -40.005 1.00 0.00 H new ATOM 1114 N ILE B 58 33.291 17.850 -34.673 1.00 0.00 N ATOM 1115 CA ILE B 58 32.018 17.988 -33.945 1.00 0.00 C ATOM 1116 C ILE B 58 32.083 17.223 -32.586 1.00 0.00 C ATOM 1117 O ILE B 58 32.899 16.307 -32.332 1.00 0.00 O ATOM 1118 CB ILE B 58 30.830 17.513 -34.847 1.00 0.00 C ATOM 1119 CG1 ILE B 58 31.031 16.122 -35.453 1.00 0.00 C ATOM 1120 CG2 ILE B 58 30.550 18.569 -35.961 1.00 0.00 C ATOM 1121 CD1 ILE B 58 29.954 15.586 -36.440 1.00 0.00 C ATOM 0 H ILE B 58 33.517 16.880 -34.891 1.00 0.00 H new ATOM 0 HA ILE B 58 31.844 19.038 -33.709 1.00 0.00 H new ATOM 0 HB ILE B 58 29.961 17.426 -34.195 1.00 0.00 H new ATOM 0 HG12 ILE B 58 31.989 16.121 -35.973 1.00 0.00 H new ATOM 0 HG13 ILE B 58 31.113 15.410 -34.632 1.00 0.00 H new ATOM 0 HG21 ILE B 58 29.722 18.230 -36.584 1.00 0.00 H new ATOM 0 HG22 ILE B 58 30.292 19.523 -35.501 1.00 0.00 H new ATOM 0 HG23 ILE B 58 31.441 18.693 -36.577 1.00 0.00 H new ATOM 0 HD11 ILE B 58 30.237 14.591 -36.782 1.00 0.00 H new ATOM 0 HD12 ILE B 58 28.990 15.535 -35.934 1.00 0.00 H new ATOM 0 HD13 ILE B 58 29.879 16.257 -37.296 1.00 0.00 H new ATOM 1133 N ARG B 59 31.147 17.584 -31.671 1.00 0.00 N ATOM 1134 CA ARG B 59 30.949 17.035 -30.309 1.00 0.00 C ATOM 1135 C ARG B 59 29.463 16.739 -30.254 1.00 0.00 C ATOM 1136 O ARG B 59 28.635 17.648 -30.441 1.00 0.00 O ATOM 1137 CB ARG B 59 31.553 18.019 -29.342 1.00 0.00 C ATOM 1138 CG ARG B 59 33.021 18.216 -29.331 1.00 0.00 C ATOM 1139 CD ARG B 59 33.832 16.941 -29.113 1.00 0.00 C ATOM 1140 NE ARG B 59 35.287 17.168 -29.212 1.00 0.00 N ATOM 1141 CZ ARG B 59 36.083 16.852 -30.245 1.00 0.00 C ATOM 1142 NH1 ARG B 59 35.514 16.493 -31.397 1.00 0.00 N ATOM 1143 NH2 ARG B 59 37.385 16.911 -30.150 1.00 0.00 N ATOM 0 H ARG B 59 30.467 18.315 -31.881 1.00 0.00 H new ATOM 0 HA ARG B 59 31.449 16.105 -30.039 1.00 0.00 H new ATOM 0 HB2 ARG B 59 31.094 18.989 -29.532 1.00 0.00 H new ATOM 0 HB3 ARG B 59 31.255 17.716 -28.338 1.00 0.00 H new ATOM 0 HG2 ARG B 59 33.321 18.664 -30.278 1.00 0.00 H new ATOM 0 HG3 ARG B 59 33.273 18.930 -28.546 1.00 0.00 H new ATOM 0 HD2 ARG B 59 33.598 16.530 -28.131 1.00 0.00 H new ATOM 0 HD3 ARG B 59 33.534 16.195 -29.850 1.00 0.00 H new ATOM 0 HE ARG B 59 35.735 17.612 -28.410 1.00 0.00 H new ATOM 0 HH11 ARG B 59 34.498 16.464 -31.476 1.00 0.00 H new ATOM 0 HH12 ARG B 59 36.095 16.248 -32.198 1.00 0.00 H new ATOM 0 HH21 ARG B 59 37.820 17.203 -29.275 1.00 0.00 H new ATOM 0 HH22 ARG B 59 37.966 16.665 -30.951 1.00 0.00 H new ATOM 1157 N PHE B 60 29.119 15.434 -29.990 1.00 0.00 N ATOM 1158 CA PHE B 60 27.712 15.043 -29.751 1.00 0.00 C ATOM 1159 C PHE B 60 27.571 15.035 -28.164 1.00 0.00 C ATOM 1160 O PHE B 60 28.334 14.419 -27.388 1.00 0.00 O ATOM 1161 CB PHE B 60 27.474 13.661 -30.294 1.00 0.00 C ATOM 1162 CG PHE B 60 27.619 13.563 -31.838 1.00 0.00 C ATOM 1163 CD1 PHE B 60 28.922 13.394 -32.353 1.00 0.00 C ATOM 1164 CD2 PHE B 60 26.443 13.530 -32.646 1.00 0.00 C ATOM 1165 CE1 PHE B 60 29.097 13.132 -33.719 1.00 0.00 C ATOM 1166 CE2 PHE B 60 26.596 13.188 -34.012 1.00 0.00 C ATOM 1167 CZ PHE B 60 27.950 13.118 -34.564 1.00 0.00 C ATOM 0 H PHE B 60 29.787 14.665 -29.941 1.00 0.00 H new ATOM 0 HA PHE B 60 26.998 15.712 -30.231 1.00 0.00 H new ATOM 0 HB2 PHE B 60 28.177 12.971 -29.827 1.00 0.00 H new ATOM 0 HB3 PHE B 60 26.473 13.336 -30.011 1.00 0.00 H new ATOM 0 HD1 PHE B 60 29.779 13.466 -31.699 1.00 0.00 H new ATOM 0 HD2 PHE B 60 25.472 13.757 -32.231 1.00 0.00 H new ATOM 0 HE1 PHE B 60 30.081 12.945 -34.123 1.00 0.00 H new ATOM 0 HE2 PHE B 60 25.735 12.984 -34.631 1.00 0.00 H new ATOM 0 HZ PHE B 60 28.082 13.054 -35.634 1.00 0.00 H new ATOM 1177 N ARG B 61 26.528 15.725 -27.697 1.00 0.00 N ATOM 1178 CA ARG B 61 26.046 15.812 -26.263 1.00 0.00 C ATOM 1179 C ARG B 61 24.639 15.302 -26.072 1.00 0.00 C ATOM 1180 O ARG B 61 23.763 15.338 -26.935 1.00 0.00 O ATOM 1181 CB ARG B 61 25.963 17.242 -25.721 1.00 0.00 C ATOM 1182 CG ARG B 61 27.383 17.823 -25.790 1.00 0.00 C ATOM 1183 CD ARG B 61 27.330 19.253 -25.279 1.00 0.00 C ATOM 1184 NE ARG B 61 28.572 19.989 -25.541 1.00 0.00 N ATOM 1185 CZ ARG B 61 28.544 21.300 -25.766 1.00 0.00 C ATOM 1186 NH1 ARG B 61 27.485 22.097 -25.589 1.00 0.00 N ATOM 1187 NH2 ARG B 61 29.595 21.929 -26.139 1.00 0.00 N ATOM 0 H ARG B 61 25.945 16.280 -28.323 1.00 0.00 H new ATOM 0 HA ARG B 61 26.792 15.211 -25.743 1.00 0.00 H new ATOM 0 HB2 ARG B 61 25.271 17.841 -26.313 1.00 0.00 H new ATOM 0 HB3 ARG B 61 25.592 17.247 -24.696 1.00 0.00 H new ATOM 0 HG2 ARG B 61 28.068 17.228 -25.186 1.00 0.00 H new ATOM 0 HG3 ARG B 61 27.756 17.798 -26.814 1.00 0.00 H new ATOM 0 HD2 ARG B 61 26.497 19.773 -25.751 1.00 0.00 H new ATOM 0 HD3 ARG B 61 27.135 19.245 -24.207 1.00 0.00 H new ATOM 0 HE ARG B 61 29.463 19.492 -25.551 1.00 0.00 H new ATOM 0 HH11 ARG B 61 26.604 21.707 -25.254 1.00 0.00 H new ATOM 0 HH12 ARG B 61 27.558 23.095 -25.789 1.00 0.00 H new ATOM 0 HH21 ARG B 61 30.472 21.425 -26.268 1.00 0.00 H new ATOM 0 HH22 ARG B 61 29.555 22.934 -26.307 1.00 0.00 H new ATOM 1201 N PHE B 62 24.441 14.908 -24.811 1.00 0.00 N ATOM 1202 CA PHE B 62 23.147 14.604 -24.202 1.00 0.00 C ATOM 1203 C PHE B 62 22.982 15.073 -22.783 1.00 0.00 C ATOM 1204 O PHE B 62 23.810 14.716 -21.939 1.00 0.00 O ATOM 1205 CB PHE B 62 22.809 13.111 -24.401 1.00 0.00 C ATOM 1206 CG PHE B 62 21.503 12.750 -23.763 1.00 0.00 C ATOM 1207 CD1 PHE B 62 20.294 13.028 -24.391 1.00 0.00 C ATOM 1208 CD2 PHE B 62 21.518 12.246 -22.432 1.00 0.00 C ATOM 1209 CE1 PHE B 62 19.117 12.942 -23.681 1.00 0.00 C ATOM 1210 CE2 PHE B 62 20.270 12.038 -21.772 1.00 0.00 C ATOM 1211 CZ PHE B 62 19.067 12.391 -22.438 1.00 0.00 C ATOM 0 H PHE B 62 25.216 14.787 -24.158 1.00 0.00 H new ATOM 0 HA PHE B 62 22.405 15.200 -24.733 1.00 0.00 H new ATOM 0 HB2 PHE B 62 22.768 12.886 -25.467 1.00 0.00 H new ATOM 0 HB3 PHE B 62 23.604 12.498 -23.976 1.00 0.00 H new ATOM 0 HD1 PHE B 62 20.278 13.311 -25.433 1.00 0.00 H new ATOM 0 HD2 PHE B 62 22.451 12.026 -21.934 1.00 0.00 H new ATOM 0 HE1 PHE B 62 18.208 13.323 -24.123 1.00 0.00 H new ATOM 0 HE2 PHE B 62 20.241 11.617 -20.778 1.00 0.00 H new ATOM 0 HZ PHE B 62 18.114 12.222 -21.959 1.00 0.00 H new ATOM 1221 N ASP B 63 21.945 15.861 -22.543 1.00 0.00 N ATOM 1222 CA ASP B 63 21.623 16.385 -21.178 1.00 0.00 C ATOM 1223 C ASP B 63 22.683 17.289 -20.575 1.00 0.00 C ATOM 1224 O ASP B 63 22.925 17.352 -19.379 1.00 0.00 O ATOM 1225 CB ASP B 63 21.217 15.231 -20.299 1.00 0.00 C ATOM 1226 CG ASP B 63 20.121 15.580 -19.267 1.00 0.00 C ATOM 1227 OD1 ASP B 63 19.395 16.537 -19.467 1.00 0.00 O ATOM 1228 OD2 ASP B 63 19.868 14.863 -18.260 1.00 0.00 O ATOM 0 H ASP B 63 21.294 16.167 -23.266 1.00 0.00 H new ATOM 0 HA ASP B 63 20.778 17.068 -21.269 1.00 0.00 H new ATOM 0 HB2 ASP B 63 20.862 14.416 -20.929 1.00 0.00 H new ATOM 0 HB3 ASP B 63 22.096 14.864 -19.769 1.00 0.00 H new ATOM 1233 N GLY B 64 23.382 17.998 -21.468 1.00 0.00 N ATOM 1234 CA GLY B 64 24.467 18.855 -21.078 1.00 0.00 C ATOM 1235 C GLY B 64 25.730 18.119 -20.729 1.00 0.00 C ATOM 1236 O GLY B 64 26.675 18.765 -20.313 1.00 0.00 O ATOM 0 H GLY B 64 23.200 17.983 -22.472 1.00 0.00 H new ATOM 0 HA2 GLY B 64 24.677 19.551 -21.890 1.00 0.00 H new ATOM 0 HA3 GLY B 64 24.156 19.450 -20.220 1.00 0.00 H new ATOM 1240 N GLN B 65 25.745 16.791 -20.895 1.00 0.00 N ATOM 1241 CA GLN B 65 26.960 16.016 -20.820 1.00 0.00 C ATOM 1242 C GLN B 65 27.470 15.509 -22.158 1.00 0.00 C ATOM 1243 O GLN B 65 26.675 15.429 -23.078 1.00 0.00 O ATOM 1244 CB GLN B 65 26.731 14.808 -19.803 1.00 0.00 C ATOM 1245 CG GLN B 65 26.775 15.293 -18.395 1.00 0.00 C ATOM 1246 CD GLN B 65 26.566 14.106 -17.431 1.00 0.00 C ATOM 1247 OE1 GLN B 65 26.250 12.961 -17.806 1.00 0.00 O ATOM 1248 NE2 GLN B 65 26.872 14.415 -16.193 1.00 0.00 N ATOM 0 H GLN B 65 24.910 16.237 -21.084 1.00 0.00 H new ATOM 0 HA GLN B 65 27.744 16.684 -20.464 1.00 0.00 H new ATOM 0 HB2 GLN B 65 25.769 14.336 -20.001 1.00 0.00 H new ATOM 0 HB3 GLN B 65 27.496 14.047 -19.955 1.00 0.00 H new ATOM 0 HG2 GLN B 65 27.733 15.773 -18.195 1.00 0.00 H new ATOM 0 HG3 GLN B 65 26.002 16.045 -18.235 1.00 0.00 H new ATOM 0 HE21 GLN B 65 27.122 15.374 -15.954 1.00 0.00 H new ATOM 0 HE22 GLN B 65 26.860 13.696 -15.470 1.00 0.00 H new ATOM 1257 N PRO B 66 28.764 15.137 -22.328 1.00 0.00 N ATOM 1258 CA PRO B 66 29.203 14.470 -23.535 1.00 0.00 C ATOM 1259 C PRO B 66 28.530 13.085 -23.705 1.00 0.00 C ATOM 1260 O PRO B 66 27.982 12.511 -22.729 1.00 0.00 O ATOM 1261 CB PRO B 66 30.740 14.282 -23.493 1.00 0.00 C ATOM 1262 CG PRO B 66 30.939 14.173 -21.980 1.00 0.00 C ATOM 1263 CD PRO B 66 29.835 15.076 -21.332 1.00 0.00 C ATOM 0 HA PRO B 66 28.916 15.094 -24.381 1.00 0.00 H new ATOM 0 HB2 PRO B 66 31.067 13.388 -24.024 1.00 0.00 H new ATOM 0 HB3 PRO B 66 31.277 15.125 -23.927 1.00 0.00 H new ATOM 0 HG2 PRO B 66 30.842 13.140 -21.647 1.00 0.00 H new ATOM 0 HG3 PRO B 66 31.935 14.508 -21.693 1.00 0.00 H new ATOM 0 HD2 PRO B 66 29.478 14.651 -20.394 1.00 0.00 H new ATOM 0 HD3 PRO B 66 30.221 16.070 -21.106 1.00 0.00 H new ATOM 1271 N ILE B 67 28.524 12.539 -24.912 1.00 0.00 N ATOM 1272 CA ILE B 67 28.339 11.132 -25.214 1.00 0.00 C ATOM 1273 C ILE B 67 29.727 10.400 -25.334 1.00 0.00 C ATOM 1274 O ILE B 67 30.634 10.905 -25.993 1.00 0.00 O ATOM 1275 CB ILE B 67 27.557 10.944 -26.496 1.00 0.00 C ATOM 1276 CG1 ILE B 67 26.069 11.219 -26.183 1.00 0.00 C ATOM 1277 CG2 ILE B 67 27.620 9.559 -27.134 1.00 0.00 C ATOM 1278 CD1 ILE B 67 25.261 11.652 -27.474 1.00 0.00 C ATOM 0 H ILE B 67 28.656 13.100 -25.753 1.00 0.00 H new ATOM 0 HA ILE B 67 27.773 10.695 -24.392 1.00 0.00 H new ATOM 0 HB ILE B 67 28.015 11.628 -27.210 1.00 0.00 H new ATOM 0 HG12 ILE B 67 25.617 10.324 -25.756 1.00 0.00 H new ATOM 0 HG13 ILE B 67 25.996 12.003 -25.430 1.00 0.00 H new ATOM 0 HG21 ILE B 67 27.021 9.550 -28.045 1.00 0.00 H new ATOM 0 HG22 ILE B 67 28.655 9.318 -27.378 1.00 0.00 H new ATOM 0 HG23 ILE B 67 27.230 8.819 -26.436 1.00 0.00 H new ATOM 0 HD11 ILE B 67 24.220 11.835 -27.207 1.00 0.00 H new ATOM 0 HD12 ILE B 67 25.695 12.563 -27.887 1.00 0.00 H new ATOM 0 HD13 ILE B 67 25.310 10.857 -28.218 1.00 0.00 H new ATOM 1290 N ASN B 68 29.850 9.189 -24.836 1.00 0.00 N ATOM 1291 CA ASN B 68 30.957 8.282 -25.129 1.00 0.00 C ATOM 1292 C ASN B 68 30.552 7.419 -26.329 1.00 0.00 C ATOM 1293 O ASN B 68 29.409 7.051 -26.472 1.00 0.00 O ATOM 1294 CB ASN B 68 31.275 7.405 -23.872 1.00 0.00 C ATOM 1295 CG ASN B 68 31.534 8.274 -22.689 1.00 0.00 C ATOM 1296 OD1 ASN B 68 32.716 8.639 -22.436 1.00 0.00 O ATOM 1297 ND2 ASN B 68 30.537 8.331 -21.841 1.00 0.00 N ATOM 0 H ASN B 68 29.165 8.789 -24.195 1.00 0.00 H new ATOM 0 HA ASN B 68 31.862 8.838 -25.373 1.00 0.00 H new ATOM 0 HB2 ASN B 68 30.439 6.737 -23.665 1.00 0.00 H new ATOM 0 HB3 ASN B 68 32.144 6.777 -24.068 1.00 0.00 H new ATOM 0 HD21 ASN B 68 30.689 8.691 -20.899 1.00 0.00 H new ATOM 0 HD22 ASN B 68 29.609 8.016 -22.123 1.00 0.00 H new ATOM 1304 N GLU B 69 31.532 6.917 -27.075 1.00 0.00 N ATOM 1305 CA GLU B 69 31.315 5.875 -28.181 1.00 0.00 C ATOM 1306 C GLU B 69 30.646 4.547 -27.754 1.00 0.00 C ATOM 1307 O GLU B 69 30.051 3.899 -28.619 1.00 0.00 O ATOM 1308 CB GLU B 69 32.616 5.787 -28.989 1.00 0.00 C ATOM 1309 CG GLU B 69 32.535 4.995 -30.322 1.00 0.00 C ATOM 1310 CD GLU B 69 33.800 5.292 -31.205 1.00 0.00 C ATOM 1311 OE1 GLU B 69 34.717 6.008 -30.828 1.00 0.00 O ATOM 1312 OE2 GLU B 69 33.898 4.762 -32.370 1.00 0.00 O ATOM 0 H GLU B 69 32.508 7.192 -26.964 1.00 0.00 H new ATOM 0 HA GLU B 69 30.523 6.212 -28.849 1.00 0.00 H new ATOM 0 HB2 GLU B 69 32.952 6.800 -29.211 1.00 0.00 H new ATOM 0 HB3 GLU B 69 33.380 5.328 -28.362 1.00 0.00 H new ATOM 0 HG2 GLU B 69 32.469 3.927 -30.116 1.00 0.00 H new ATOM 0 HG3 GLU B 69 31.631 5.272 -30.864 1.00 0.00 H new ATOM 1319 N THR B 70 30.937 4.120 -26.477 1.00 0.00 N ATOM 1320 CA THR B 70 30.229 3.009 -25.831 1.00 0.00 C ATOM 1321 C THR B 70 28.792 3.276 -25.274 1.00 0.00 C ATOM 1322 O THR B 70 28.201 2.342 -24.860 1.00 0.00 O ATOM 1323 CB THR B 70 31.109 2.175 -24.893 1.00 0.00 C ATOM 1324 OG1 THR B 70 31.700 3.021 -23.896 1.00 0.00 O ATOM 1325 CG2 THR B 70 32.270 1.487 -25.624 1.00 0.00 C ATOM 0 H THR B 70 31.660 4.543 -25.895 1.00 0.00 H new ATOM 0 HA THR B 70 30.004 2.382 -26.693 1.00 0.00 H new ATOM 0 HB THR B 70 30.454 1.419 -24.459 1.00 0.00 H new ATOM 0 HG1 THR B 70 32.260 2.482 -23.299 1.00 0.00 H new ATOM 0 HG21 THR B 70 32.859 0.911 -24.910 1.00 0.00 H new ATOM 0 HG22 THR B 70 31.874 0.820 -26.390 1.00 0.00 H new ATOM 0 HG23 THR B 70 32.903 2.241 -26.092 1.00 0.00 H new ATOM 1333 N ASP B 71 28.292 4.548 -25.166 1.00 0.00 N ATOM 1334 CA ASP B 71 26.989 4.913 -24.642 1.00 0.00 C ATOM 1335 C ASP B 71 25.767 4.411 -25.443 1.00 0.00 C ATOM 1336 O ASP B 71 25.586 4.684 -26.592 1.00 0.00 O ATOM 1337 CB ASP B 71 26.870 6.379 -24.326 1.00 0.00 C ATOM 1338 CG ASP B 71 27.743 6.921 -23.132 1.00 0.00 C ATOM 1339 OD1 ASP B 71 28.315 6.148 -22.324 1.00 0.00 O ATOM 1340 OD2 ASP B 71 27.821 8.147 -22.939 1.00 0.00 O ATOM 0 H ASP B 71 28.831 5.362 -25.462 1.00 0.00 H new ATOM 0 HA ASP B 71 26.950 4.356 -23.706 1.00 0.00 H new ATOM 0 HB2 ASP B 71 27.132 6.942 -25.222 1.00 0.00 H new ATOM 0 HB3 ASP B 71 25.824 6.596 -24.108 1.00 0.00 H new ATOM 1345 N THR B 72 24.862 3.709 -24.772 1.00 0.00 N ATOM 1346 CA THR B 72 23.616 3.247 -25.192 1.00 0.00 C ATOM 1347 C THR B 72 22.517 4.100 -24.559 1.00 0.00 C ATOM 1348 O THR B 72 22.720 4.575 -23.382 1.00 0.00 O ATOM 1349 CB THR B 72 23.453 1.741 -24.950 1.00 0.00 C ATOM 1350 OG1 THR B 72 23.343 1.602 -23.578 1.00 0.00 O ATOM 1351 CG2 THR B 72 24.476 0.809 -25.612 1.00 0.00 C ATOM 0 H THR B 72 25.042 3.436 -23.806 1.00 0.00 H new ATOM 0 HA THR B 72 23.531 3.361 -26.273 1.00 0.00 H new ATOM 0 HB THR B 72 22.561 1.389 -25.468 1.00 0.00 H new ATOM 0 HG1 THR B 72 23.234 0.654 -23.353 1.00 0.00 H new ATOM 0 HG21 THR B 72 24.243 -0.225 -25.359 1.00 0.00 H new ATOM 0 HG22 THR B 72 24.436 0.935 -26.694 1.00 0.00 H new ATOM 0 HG23 THR B 72 25.476 1.054 -25.254 1.00 0.00 H new ATOM 1359 N PRO B 73 21.328 4.247 -25.168 1.00 0.00 N ATOM 1360 CA PRO B 73 20.090 4.710 -24.400 1.00 0.00 C ATOM 1361 C PRO B 73 19.839 4.112 -22.995 1.00 0.00 C ATOM 1362 O PRO B 73 19.222 4.733 -22.104 1.00 0.00 O ATOM 1363 CB PRO B 73 18.916 4.482 -25.310 1.00 0.00 C ATOM 1364 CG PRO B 73 19.533 4.440 -26.714 1.00 0.00 C ATOM 1365 CD PRO B 73 20.981 3.907 -26.527 1.00 0.00 C ATOM 0 HA PRO B 73 20.256 5.758 -24.151 1.00 0.00 H new ATOM 0 HB2 PRO B 73 18.403 3.550 -25.072 1.00 0.00 H new ATOM 0 HB3 PRO B 73 18.182 5.282 -25.221 1.00 0.00 H new ATOM 0 HG2 PRO B 73 18.959 3.789 -27.373 1.00 0.00 H new ATOM 0 HG3 PRO B 73 19.537 5.431 -27.169 1.00 0.00 H new ATOM 0 HD2 PRO B 73 21.030 2.830 -26.690 1.00 0.00 H new ATOM 0 HD3 PRO B 73 21.667 4.368 -27.237 1.00 0.00 H new ATOM 1373 N ALA B 74 20.283 2.837 -22.780 1.00 0.00 N ATOM 1374 CA ALA B 74 20.054 2.134 -21.531 1.00 0.00 C ATOM 1375 C ALA B 74 21.218 2.325 -20.553 1.00 0.00 C ATOM 1376 O ALA B 74 20.930 2.474 -19.315 1.00 0.00 O ATOM 1377 CB ALA B 74 19.877 0.576 -21.874 1.00 0.00 C ATOM 0 H ALA B 74 20.800 2.296 -23.473 1.00 0.00 H new ATOM 0 HA ALA B 74 19.162 2.534 -21.049 1.00 0.00 H new ATOM 0 HB1 ALA B 74 19.703 0.018 -20.954 1.00 0.00 H new ATOM 0 HB2 ALA B 74 19.027 0.445 -22.544 1.00 0.00 H new ATOM 0 HB3 ALA B 74 20.781 0.205 -22.358 1.00 0.00 H new ATOM 1383 N GLN B 75 22.442 2.509 -21.092 1.00 0.00 N ATOM 1384 CA GLN B 75 23.533 3.070 -20.293 1.00 0.00 C ATOM 1385 C GLN B 75 23.289 4.477 -19.745 1.00 0.00 C ATOM 1386 O GLN B 75 23.604 4.666 -18.607 1.00 0.00 O ATOM 1387 CB GLN B 75 24.832 3.094 -21.191 1.00 0.00 C ATOM 1388 CG GLN B 75 26.064 3.788 -20.606 1.00 0.00 C ATOM 1389 CD GLN B 75 26.797 2.869 -19.676 1.00 0.00 C ATOM 1390 OE1 GLN B 75 26.387 1.789 -19.411 1.00 0.00 O ATOM 1391 NE2 GLN B 75 27.869 3.416 -19.197 1.00 0.00 N ATOM 0 H GLN B 75 22.689 2.281 -22.055 1.00 0.00 H new ATOM 0 HA GLN B 75 23.628 2.430 -19.416 1.00 0.00 H new ATOM 0 HB2 GLN B 75 25.102 2.064 -21.425 1.00 0.00 H new ATOM 0 HB3 GLN B 75 24.584 3.581 -22.134 1.00 0.00 H new ATOM 0 HG2 GLN B 75 26.727 4.103 -21.412 1.00 0.00 H new ATOM 0 HG3 GLN B 75 25.761 4.689 -20.072 1.00 0.00 H new ATOM 0 HE21 GLN B 75 28.137 4.355 -19.490 1.00 0.00 H new ATOM 0 HE22 GLN B 75 28.445 2.907 -18.526 1.00 0.00 H new ATOM 1400 N LEU B 76 22.640 5.371 -20.525 1.00 0.00 N ATOM 1401 CA LEU B 76 22.143 6.674 -20.021 1.00 0.00 C ATOM 1402 C LEU B 76 20.779 6.610 -19.262 1.00 0.00 C ATOM 1403 O LEU B 76 20.320 7.581 -18.635 1.00 0.00 O ATOM 1404 CB LEU B 76 22.192 7.487 -21.379 1.00 0.00 C ATOM 1405 CG LEU B 76 23.534 7.588 -22.151 1.00 0.00 C ATOM 1406 CD1 LEU B 76 23.379 8.407 -23.460 1.00 0.00 C ATOM 1407 CD2 LEU B 76 24.667 7.979 -21.237 1.00 0.00 C ATOM 0 H LEU B 76 22.447 5.213 -21.514 1.00 0.00 H new ATOM 0 HA LEU B 76 22.716 7.134 -19.216 1.00 0.00 H new ATOM 0 HB2 LEU B 76 21.458 7.045 -22.053 1.00 0.00 H new ATOM 0 HB3 LEU B 76 21.858 8.503 -21.166 1.00 0.00 H new ATOM 0 HG LEU B 76 23.826 6.600 -22.507 1.00 0.00 H new ATOM 0 HD11 LEU B 76 24.339 8.457 -23.974 1.00 0.00 H new ATOM 0 HD12 LEU B 76 22.646 7.925 -24.106 1.00 0.00 H new ATOM 0 HD13 LEU B 76 23.043 9.416 -23.220 1.00 0.00 H new ATOM 0 HD21 LEU B 76 25.592 8.041 -21.810 1.00 0.00 H new ATOM 0 HD22 LEU B 76 24.454 8.949 -20.787 1.00 0.00 H new ATOM 0 HD23 LEU B 76 24.776 7.231 -20.452 1.00 0.00 H new ATOM 1419 N GLU B 77 20.091 5.445 -19.328 1.00 0.00 N ATOM 1420 CA GLU B 77 18.703 5.221 -18.720 1.00 0.00 C ATOM 1421 C GLU B 77 17.785 6.297 -19.301 1.00 0.00 C ATOM 1422 O GLU B 77 17.075 6.970 -18.563 1.00 0.00 O ATOM 1423 CB GLU B 77 18.656 5.084 -17.198 1.00 0.00 C ATOM 1424 CG GLU B 77 19.329 3.879 -16.563 1.00 0.00 C ATOM 1425 CD GLU B 77 18.447 2.644 -16.506 1.00 0.00 C ATOM 1426 OE1 GLU B 77 17.267 2.713 -16.869 1.00 0.00 O ATOM 1427 OE2 GLU B 77 18.914 1.638 -15.912 1.00 0.00 O ATOM 0 H GLU B 77 20.459 4.618 -19.798 1.00 0.00 H new ATOM 0 HA GLU B 77 18.345 4.232 -19.005 1.00 0.00 H new ATOM 0 HB2 GLU B 77 19.105 5.980 -16.769 1.00 0.00 H new ATOM 0 HB3 GLU B 77 17.608 5.077 -16.897 1.00 0.00 H new ATOM 0 HG2 GLU B 77 20.234 3.643 -17.123 1.00 0.00 H new ATOM 0 HG3 GLU B 77 19.640 4.139 -15.551 1.00 0.00 H new ATOM 1434 N MET B 78 17.797 6.554 -20.606 1.00 0.00 N ATOM 1435 CA MET B 78 16.911 7.515 -21.368 1.00 0.00 C ATOM 1436 C MET B 78 15.454 7.181 -21.106 1.00 0.00 C ATOM 1437 O MET B 78 14.958 6.076 -21.215 1.00 0.00 O ATOM 1438 CB MET B 78 17.278 7.643 -22.891 1.00 0.00 C ATOM 1439 CG MET B 78 18.542 8.458 -23.105 1.00 0.00 C ATOM 1440 SD MET B 78 19.206 8.250 -24.735 1.00 0.00 S ATOM 1441 CE MET B 78 19.589 9.988 -25.201 1.00 0.00 C ATOM 0 H MET B 78 18.456 6.082 -21.225 1.00 0.00 H new ATOM 0 HA MET B 78 17.094 8.520 -20.988 1.00 0.00 H new ATOM 0 HB2 MET B 78 17.411 6.648 -23.317 1.00 0.00 H new ATOM 0 HB3 MET B 78 16.451 8.110 -23.425 1.00 0.00 H new ATOM 0 HG2 MET B 78 18.325 9.513 -22.935 1.00 0.00 H new ATOM 0 HG3 MET B 78 19.291 8.164 -22.369 1.00 0.00 H new ATOM 0 HE1 MET B 78 19.947 10.018 -26.230 1.00 0.00 H new ATOM 0 HE2 MET B 78 18.688 10.595 -25.112 1.00 0.00 H new ATOM 0 HE3 MET B 78 20.359 10.382 -24.537 1.00 0.00 H new ATOM 1451 N GLU B 79 14.729 8.266 -21.051 1.00 0.00 N ATOM 1452 CA GLU B 79 13.256 8.436 -21.279 1.00 0.00 C ATOM 1453 C GLU B 79 13.022 8.618 -22.836 1.00 0.00 C ATOM 1454 O GLU B 79 13.781 9.226 -23.568 1.00 0.00 O ATOM 1455 CB GLU B 79 12.762 9.694 -20.438 1.00 0.00 C ATOM 1456 CG GLU B 79 13.307 9.758 -18.968 1.00 0.00 C ATOM 1457 CD GLU B 79 13.050 8.539 -18.083 1.00 0.00 C ATOM 1458 OE1 GLU B 79 12.162 7.747 -18.349 1.00 0.00 O ATOM 1459 OE2 GLU B 79 13.828 8.273 -17.146 1.00 0.00 O ATOM 0 H GLU B 79 15.165 9.160 -20.826 1.00 0.00 H new ATOM 0 HA GLU B 79 12.683 7.570 -20.949 1.00 0.00 H new ATOM 0 HB2 GLU B 79 13.060 10.603 -20.961 1.00 0.00 H new ATOM 0 HB3 GLU B 79 11.672 9.687 -20.407 1.00 0.00 H new ATOM 0 HG2 GLU B 79 14.383 9.925 -19.012 1.00 0.00 H new ATOM 0 HG3 GLU B 79 12.869 10.629 -18.481 1.00 0.00 H new ATOM 1466 N ASP B 80 11.820 8.148 -23.282 1.00 0.00 N ATOM 1467 CA ASP B 80 11.451 8.232 -24.659 1.00 0.00 C ATOM 1468 C ASP B 80 11.210 9.614 -25.220 1.00 0.00 C ATOM 1469 O ASP B 80 11.066 10.562 -24.415 1.00 0.00 O ATOM 1470 CB ASP B 80 10.314 7.233 -24.875 1.00 0.00 C ATOM 1471 CG ASP B 80 9.973 6.798 -26.299 1.00 0.00 C ATOM 1472 OD1 ASP B 80 10.769 6.948 -27.293 1.00 0.00 O ATOM 1473 OD2 ASP B 80 8.819 6.336 -26.426 1.00 0.00 O ATOM 0 H ASP B 80 11.118 7.715 -22.682 1.00 0.00 H new ATOM 0 HA ASP B 80 12.316 7.961 -25.265 1.00 0.00 H new ATOM 0 HB2 ASP B 80 10.552 6.335 -24.304 1.00 0.00 H new ATOM 0 HB3 ASP B 80 9.412 7.660 -24.436 1.00 0.00 H new ATOM 1478 N GLU B 81 11.193 9.823 -26.513 1.00 0.00 N ATOM 1479 CA GLU B 81 10.924 11.069 -27.311 1.00 0.00 C ATOM 1480 C GLU B 81 11.864 12.283 -27.153 1.00 0.00 C ATOM 1481 O GLU B 81 11.491 13.468 -27.374 1.00 0.00 O ATOM 1482 CB GLU B 81 9.404 11.443 -27.301 1.00 0.00 C ATOM 1483 CG GLU B 81 8.529 10.352 -27.824 1.00 0.00 C ATOM 1484 CD GLU B 81 7.063 10.613 -27.646 1.00 0.00 C ATOM 1485 OE1 GLU B 81 6.741 11.802 -27.569 1.00 0.00 O ATOM 1486 OE2 GLU B 81 6.266 9.708 -27.286 1.00 0.00 O ATOM 0 H GLU B 81 11.388 9.044 -27.142 1.00 0.00 H new ATOM 0 HA GLU B 81 11.212 10.760 -28.316 1.00 0.00 H new ATOM 0 HB2 GLU B 81 9.102 11.686 -26.282 1.00 0.00 H new ATOM 0 HB3 GLU B 81 9.253 12.341 -27.900 1.00 0.00 H new ATOM 0 HG2 GLU B 81 8.737 10.209 -28.884 1.00 0.00 H new ATOM 0 HG3 GLU B 81 8.786 9.420 -27.321 1.00 0.00 H new ATOM 1493 N ASP B 82 13.076 12.154 -26.662 1.00 0.00 N ATOM 1494 CA ASP B 82 14.075 13.166 -26.501 1.00 0.00 C ATOM 1495 C ASP B 82 14.849 13.470 -27.843 1.00 0.00 C ATOM 1496 O ASP B 82 14.587 12.873 -28.864 1.00 0.00 O ATOM 1497 CB ASP B 82 14.993 12.686 -25.383 1.00 0.00 C ATOM 1498 CG ASP B 82 15.228 13.709 -24.292 1.00 0.00 C ATOM 1499 OD1 ASP B 82 15.303 14.904 -24.653 1.00 0.00 O ATOM 1500 OD2 ASP B 82 15.378 13.312 -23.145 1.00 0.00 O ATOM 0 H ASP B 82 13.411 11.247 -26.337 1.00 0.00 H new ATOM 0 HA ASP B 82 13.621 14.121 -26.237 1.00 0.00 H new ATOM 0 HB2 ASP B 82 14.566 11.788 -24.938 1.00 0.00 H new ATOM 0 HB3 ASP B 82 15.954 12.403 -25.813 1.00 0.00 H new ATOM 1505 N THR B 83 15.900 14.254 -27.718 1.00 0.00 N ATOM 1506 CA THR B 83 16.898 14.672 -28.707 1.00 0.00 C ATOM 1507 C THR B 83 18.298 14.552 -28.135 1.00 0.00 C ATOM 1508 O THR B 83 18.471 14.645 -26.926 1.00 0.00 O ATOM 1509 CB THR B 83 16.597 16.063 -29.176 1.00 0.00 C ATOM 1510 OG1 THR B 83 15.444 16.000 -29.982 1.00 0.00 O ATOM 1511 CG2 THR B 83 17.597 16.756 -30.076 1.00 0.00 C ATOM 0 H THR B 83 16.109 14.670 -26.810 1.00 0.00 H new ATOM 0 HA THR B 83 16.850 14.011 -29.573 1.00 0.00 H new ATOM 0 HB THR B 83 16.550 16.625 -28.243 1.00 0.00 H new ATOM 0 HG1 THR B 83 15.220 16.898 -30.304 1.00 0.00 H new ATOM 0 HG21 THR B 83 17.232 17.752 -30.326 1.00 0.00 H new ATOM 0 HG22 THR B 83 18.554 16.838 -29.561 1.00 0.00 H new ATOM 0 HG23 THR B 83 17.726 16.177 -30.991 1.00 0.00 H new ATOM 1519 N ILE B 84 19.198 14.108 -29.004 1.00 0.00 N ATOM 1520 CA ILE B 84 20.661 14.246 -28.977 1.00 0.00 C ATOM 1521 C ILE B 84 21.112 15.629 -29.603 1.00 0.00 C ATOM 1522 O ILE B 84 20.722 15.936 -30.764 1.00 0.00 O ATOM 1523 CB ILE B 84 21.364 13.035 -29.612 1.00 0.00 C ATOM 1524 CG1 ILE B 84 21.097 11.725 -28.854 1.00 0.00 C ATOM 1525 CG2 ILE B 84 22.894 13.295 -29.541 1.00 0.00 C ATOM 1526 CD1 ILE B 84 21.717 10.376 -29.308 1.00 0.00 C ATOM 0 H ILE B 84 18.898 13.590 -29.830 1.00 0.00 H new ATOM 0 HA ILE B 84 20.980 14.256 -27.935 1.00 0.00 H new ATOM 0 HB ILE B 84 20.986 12.925 -30.629 1.00 0.00 H new ATOM 0 HG12 ILE B 84 21.414 11.887 -27.824 1.00 0.00 H new ATOM 0 HG13 ILE B 84 20.016 11.585 -28.837 1.00 0.00 H new ATOM 0 HG21 ILE B 84 23.427 12.454 -29.984 1.00 0.00 H new ATOM 0 HG22 ILE B 84 23.134 14.206 -30.089 1.00 0.00 H new ATOM 0 HG23 ILE B 84 23.196 13.408 -28.500 1.00 0.00 H new ATOM 0 HD11 ILE B 84 21.398 9.583 -28.632 1.00 0.00 H new ATOM 0 HD12 ILE B 84 21.385 10.145 -30.320 1.00 0.00 H new ATOM 0 HD13 ILE B 84 22.804 10.451 -29.291 1.00 0.00 H new ATOM 1538 N ASP B 85 21.923 16.459 -28.890 1.00 0.00 N ATOM 1539 CA ASP B 85 22.407 17.796 -29.407 1.00 0.00 C ATOM 1540 C ASP B 85 23.775 17.661 -30.061 1.00 0.00 C ATOM 1541 O ASP B 85 24.817 17.181 -29.539 1.00 0.00 O ATOM 1542 CB ASP B 85 22.580 18.819 -28.259 1.00 0.00 C ATOM 1543 CG ASP B 85 21.261 19.190 -27.656 1.00 0.00 C ATOM 1544 OD1 ASP B 85 20.476 19.863 -28.371 1.00 0.00 O ATOM 1545 OD2 ASP B 85 21.154 19.056 -26.447 1.00 0.00 O ATOM 0 H ASP B 85 22.262 16.236 -27.954 1.00 0.00 H new ATOM 0 HA ASP B 85 21.655 18.135 -30.119 1.00 0.00 H new ATOM 0 HB2 ASP B 85 23.228 18.399 -27.490 1.00 0.00 H new ATOM 0 HB3 ASP B 85 23.073 19.714 -28.638 1.00 0.00 H new ATOM 1550 N VAL B 86 23.894 18.368 -31.246 1.00 0.00 N ATOM 1551 CA VAL B 86 25.267 18.343 -32.029 1.00 0.00 C ATOM 1552 C VAL B 86 25.899 19.779 -32.128 1.00 0.00 C ATOM 1553 O VAL B 86 25.425 20.662 -32.810 1.00 0.00 O ATOM 1554 CB VAL B 86 25.186 17.720 -33.438 1.00 0.00 C ATOM 1555 CG1 VAL B 86 26.672 17.390 -33.802 1.00 0.00 C ATOM 1556 CG2 VAL B 86 24.166 16.535 -33.437 1.00 0.00 C ATOM 0 H VAL B 86 23.153 18.922 -31.676 1.00 0.00 H new ATOM 0 HA VAL B 86 25.909 17.693 -31.434 1.00 0.00 H new ATOM 0 HB VAL B 86 24.786 18.367 -34.218 1.00 0.00 H new ATOM 0 HG11 VAL B 86 26.712 16.940 -34.794 1.00 0.00 H new ATOM 0 HG12 VAL B 86 27.261 18.307 -33.795 1.00 0.00 H new ATOM 0 HG13 VAL B 86 27.079 16.692 -33.071 1.00 0.00 H new ATOM 0 HG21 VAL B 86 24.113 16.099 -34.435 1.00 0.00 H new ATOM 0 HG22 VAL B 86 24.491 15.775 -32.726 1.00 0.00 H new ATOM 0 HG23 VAL B 86 23.181 16.903 -33.149 1.00 0.00 H new ATOM 1566 N PHE B 87 27.101 19.947 -31.610 1.00 0.00 N ATOM 1567 CA PHE B 87 27.911 21.103 -31.725 1.00 0.00 C ATOM 1568 C PHE B 87 29.148 20.965 -32.628 1.00 0.00 C ATOM 1569 O PHE B 87 29.856 19.850 -32.538 1.00 0.00 O ATOM 1570 CB PHE B 87 28.335 21.443 -30.289 1.00 0.00 C ATOM 1571 CG PHE B 87 27.183 21.611 -29.310 1.00 0.00 C ATOM 1572 CD1 PHE B 87 26.543 20.486 -28.760 1.00 0.00 C ATOM 1573 CD2 PHE B 87 26.693 22.906 -28.992 1.00 0.00 C ATOM 1574 CE1 PHE B 87 25.391 20.670 -28.013 1.00 0.00 C ATOM 1575 CE2 PHE B 87 25.509 23.068 -28.329 1.00 0.00 C ATOM 1576 CZ PHE B 87 24.776 21.983 -27.883 1.00 0.00 C ATOM 0 H PHE B 87 27.552 19.215 -31.062 1.00 0.00 H new ATOM 0 HA PHE B 87 27.330 21.885 -32.215 1.00 0.00 H new ATOM 0 HB2 PHE B 87 28.993 20.655 -29.923 1.00 0.00 H new ATOM 0 HB3 PHE B 87 28.918 22.364 -30.305 1.00 0.00 H new ATOM 0 HD1 PHE B 87 26.943 19.495 -28.917 1.00 0.00 H new ATOM 0 HD2 PHE B 87 27.265 23.776 -29.279 1.00 0.00 H new ATOM 0 HE1 PHE B 87 24.940 19.823 -27.517 1.00 0.00 H new ATOM 0 HE2 PHE B 87 25.137 24.066 -28.149 1.00 0.00 H new ATOM 0 HZ PHE B 87 23.791 22.105 -27.457 1.00 0.00 H new ATOM 1586 N GLN B 88 29.449 22.000 -33.394 1.00 0.00 N ATOM 1587 CA GLN B 88 30.801 22.229 -33.924 1.00 0.00 C ATOM 1588 C GLN B 88 31.801 22.767 -32.988 1.00 0.00 C ATOM 1589 O GLN B 88 31.418 23.551 -32.121 1.00 0.00 O ATOM 1590 CB GLN B 88 30.662 23.185 -35.145 1.00 0.00 C ATOM 1591 CG GLN B 88 29.862 22.516 -36.318 1.00 0.00 C ATOM 1592 CD GLN B 88 30.814 21.780 -37.278 1.00 0.00 C ATOM 1593 OE1 GLN B 88 32.022 21.604 -37.061 1.00 0.00 O ATOM 1594 NE2 GLN B 88 30.334 21.276 -38.431 1.00 0.00 N ATOM 0 H GLN B 88 28.771 22.710 -33.671 1.00 0.00 H new ATOM 0 HA GLN B 88 31.195 21.245 -34.178 1.00 0.00 H new ATOM 0 HB2 GLN B 88 30.157 24.100 -34.835 1.00 0.00 H new ATOM 0 HB3 GLN B 88 31.653 23.472 -35.497 1.00 0.00 H new ATOM 0 HG2 GLN B 88 29.132 21.815 -35.913 1.00 0.00 H new ATOM 0 HG3 GLN B 88 29.304 23.277 -36.864 1.00 0.00 H new ATOM 0 HE21 GLN B 88 29.348 21.389 -38.665 1.00 0.00 H new ATOM 0 HE22 GLN B 88 30.957 20.781 -39.070 1.00 0.00 H new ATOM 1603 N GLN B 89 33.059 22.352 -33.076 1.00 0.00 N ATOM 1604 CA GLN B 89 34.135 22.920 -32.317 1.00 0.00 C ATOM 1605 C GLN B 89 34.802 24.007 -33.167 1.00 0.00 C ATOM 1606 O GLN B 89 34.788 24.017 -34.410 1.00 0.00 O ATOM 1607 CB GLN B 89 35.144 21.803 -31.969 1.00 0.00 C ATOM 1608 CG GLN B 89 34.587 20.768 -30.968 1.00 0.00 C ATOM 1609 CD GLN B 89 34.077 21.383 -29.583 1.00 0.00 C ATOM 1610 OE1 GLN B 89 34.643 21.071 -28.531 1.00 0.00 O ATOM 1611 NE2 GLN B 89 32.917 22.024 -29.536 1.00 0.00 N ATOM 0 H GLN B 89 33.352 21.595 -33.694 1.00 0.00 H new ATOM 0 HA GLN B 89 33.770 23.362 -31.390 1.00 0.00 H new ATOM 0 HB2 GLN B 89 35.438 21.291 -32.885 1.00 0.00 H new ATOM 0 HB3 GLN B 89 36.045 22.253 -31.552 1.00 0.00 H new ATOM 0 HG2 GLN B 89 33.761 20.236 -31.439 1.00 0.00 H new ATOM 0 HG3 GLN B 89 35.363 20.032 -30.759 1.00 0.00 H new ATOM 0 HE21 GLN B 89 32.443 22.285 -30.401 1.00 0.00 H new ATOM 0 HE22 GLN B 89 32.499 22.256 -28.635 1.00 0.00 H new