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= 0.479 K(o=0.71,f=-1.4!) USER MOD Set 1.2: B 88 GLN : amide:sc= 0.232 K(o=0.71,f=-2.5) USER MOD Set 2.1: B 47 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 51 GLN : amide:sc= 0.191 X(o=0.19,f=-0.24) USER MOD Set 3.1: B 19 ASN : amide:sc= 0.943 K(o=1.9,f=-2.5) USER MOD Set 3.2: B 31 GLN : amide:sc= 0.911 K(o=1.9,f=-1.7!) USER MOD Single : B 17 HIS : no HD1:sc=-0.00295 X(o=-0.003,f=-0.073) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 GLN : amide:sc= 0.039 X(o=0.039,f=-0.12) USER MOD Single : B 28 SER OG : rot -97:sc= 1.24 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= -0.371 X(o=-0.37,f=-0.28) USER MOD Single : B 38 THR OG1 : rot -140:sc= 0.0273 USER MOD Single : B 41 SER OG : rot 180:sc= -0.0218 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 -79:sc= 0.927 USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 55 MET CE :methyl 178:sc= 0 (180deg=-0.0033) USER MOD Single : B 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 70 THR OG1 : rot 77:sc= 1.17 USER MOD Single : B 72 THR OG1 : rot 180:sc= 0.213 USER MOD Single : B 75 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.7!) USER MOD Single : B 78 MET CE :methyl -161:sc=-0.00201 (180deg=-0.0866) USER MOD Single : B 83 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= -0.04 K(o=-0.04,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 38 12.923 11.924 -45.942 1.00 0.00 N ATOM 23 CA ASP A 38 14.290 11.603 -45.458 1.00 0.00 C ATOM 24 C ASP A 38 14.617 12.171 -44.095 1.00 0.00 C ATOM 25 O ASP A 38 15.721 12.184 -43.610 1.00 0.00 O ATOM 26 CB ASP A 38 15.310 12.035 -46.491 1.00 0.00 C ATOM 27 CG ASP A 38 16.741 11.508 -46.375 1.00 0.00 C ATOM 28 OD1 ASP A 38 16.935 10.455 -45.671 1.00 0.00 O ATOM 29 OD2 ASP A 38 17.608 12.045 -47.096 1.00 0.00 O ATOM 0 HA ASP A 38 14.328 10.522 -45.326 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.930 11.747 -47.471 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.356 13.124 -46.475 1.00 0.00 H new ATOM 34 N ALA A 39 13.596 12.659 -43.409 1.00 0.00 N ATOM 35 CA ALA A 39 13.711 13.207 -42.006 1.00 0.00 C ATOM 36 C ALA A 39 13.684 12.112 -40.903 1.00 0.00 C ATOM 37 O ALA A 39 13.341 12.347 -39.725 1.00 0.00 O ATOM 38 CB ALA A 39 12.619 14.225 -41.777 1.00 0.00 C ATOM 0 H ALA A 39 12.648 12.700 -43.783 1.00 0.00 H new ATOM 0 HA ALA A 39 14.690 13.679 -41.925 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.699 14.623 -40.765 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.723 15.038 -42.496 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.646 13.750 -41.904 1.00 0.00 H new ATOM 44 N PHE A 40 14.066 10.897 -41.266 1.00 0.00 N ATOM 45 CA PHE A 40 13.958 9.689 -40.545 1.00 0.00 C ATOM 46 C PHE A 40 15.036 8.658 -40.922 1.00 0.00 C ATOM 47 O PHE A 40 15.428 8.515 -42.095 1.00 0.00 O ATOM 48 CB PHE A 40 12.490 9.132 -40.727 1.00 0.00 C ATOM 49 CG PHE A 40 11.898 8.394 -39.556 1.00 0.00 C ATOM 50 CD1 PHE A 40 12.493 7.206 -39.005 1.00 0.00 C ATOM 51 CD2 PHE A 40 11.023 9.107 -38.785 1.00 0.00 C ATOM 52 CE1 PHE A 40 12.019 6.638 -37.800 1.00 0.00 C ATOM 53 CE2 PHE A 40 10.435 8.555 -37.676 1.00 0.00 C ATOM 54 CZ PHE A 40 10.945 7.337 -37.215 1.00 0.00 C ATOM 0 H PHE A 40 14.503 10.744 -42.175 1.00 0.00 H new ATOM 0 HA PHE A 40 14.142 9.890 -39.490 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.835 9.970 -40.968 1.00 0.00 H new ATOM 0 HB3 PHE A 40 12.483 8.465 -41.589 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.318 6.739 -39.522 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.790 10.126 -39.055 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.444 5.745 -37.366 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.610 9.042 -37.178 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.480 6.899 -36.344 1.00 0.00 H new ATOM 64 N ILE A 41 15.535 7.923 -39.901 1.00 0.00 N ATOM 65 CA ILE A 41 16.602 6.966 -39.980 1.00 0.00 C ATOM 66 C ILE A 41 16.274 5.785 -39.061 1.00 0.00 C ATOM 67 O ILE A 41 15.496 5.995 -38.099 1.00 0.00 O ATOM 68 CB ILE A 41 17.993 7.628 -39.743 1.00 0.00 C ATOM 69 CG1 ILE A 41 18.128 9.046 -40.331 1.00 0.00 C ATOM 70 CG2 ILE A 41 19.114 6.714 -40.277 1.00 0.00 C ATOM 71 CD1 ILE A 41 17.802 10.217 -39.415 1.00 0.00 C ATOM 0 H ILE A 41 15.164 8.006 -38.955 1.00 0.00 H new ATOM 0 HA ILE A 41 16.683 6.565 -40.990 1.00 0.00 H new ATOM 0 HB ILE A 41 18.088 7.747 -38.664 1.00 0.00 H new ATOM 0 HG12 ILE A 41 19.152 9.169 -40.683 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.480 9.111 -41.205 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.081 7.187 -40.106 1.00 0.00 H new ATOM 0 HG22 ILE A 41 19.081 5.756 -39.757 1.00 0.00 H new ATOM 0 HG23 ILE A 41 18.973 6.552 -41.346 1.00 0.00 H new ATOM 0 HD11 ILE A 41 17.939 11.152 -39.957 1.00 0.00 H new ATOM 0 HD12 ILE A 41 16.768 10.140 -39.080 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.465 10.198 -38.550 1.00 0.00 H new ATOM 83 N VAL A 42 16.801 4.608 -39.237 1.00 0.00 N ATOM 84 CA VAL A 42 16.379 3.406 -38.487 1.00 0.00 C ATOM 85 C VAL A 42 17.624 2.365 -38.446 1.00 0.00 C ATOM 86 O VAL A 42 18.135 2.075 -39.483 1.00 0.00 O ATOM 87 CB VAL A 42 15.112 2.726 -39.035 1.00 0.00 C ATOM 88 CG1 VAL A 42 14.413 1.837 -37.996 1.00 0.00 C ATOM 89 CG2 VAL A 42 14.112 3.542 -39.717 1.00 0.00 C ATOM 0 H VAL A 42 17.547 4.428 -39.909 1.00 0.00 H new ATOM 0 HA VAL A 42 16.105 3.729 -37.483 1.00 0.00 H new ATOM 0 HB VAL A 42 15.559 2.131 -39.832 1.00 0.00 H new ATOM 0 HG11 VAL A 42 13.527 1.385 -38.441 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.096 1.052 -37.670 1.00 0.00 H new ATOM 0 HG13 VAL A 42 14.120 2.442 -37.138 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.285 2.910 -40.040 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.739 4.306 -39.035 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.564 4.020 -40.586 1.00 0.00 H new ATOM 99 N ILE A 43 18.062 2.012 -37.214 1.00 0.00 N ATOM 100 CA ILE A 43 19.368 1.337 -36.987 1.00 0.00 C ATOM 101 C ILE A 43 19.063 0.190 -35.953 1.00 0.00 C ATOM 102 O ILE A 43 18.170 0.331 -35.131 1.00 0.00 O ATOM 103 CB ILE A 43 20.463 2.352 -36.638 1.00 0.00 C ATOM 104 CG1 ILE A 43 20.885 3.173 -37.854 1.00 0.00 C ATOM 105 CG2 ILE A 43 21.663 1.676 -36.002 1.00 0.00 C ATOM 106 CD1 ILE A 43 22.170 3.887 -37.888 1.00 0.00 C ATOM 0 H ILE A 43 17.531 2.183 -36.360 1.00 0.00 H new ATOM 0 HA ILE A 43 19.800 0.869 -37.872 1.00 0.00 H new ATOM 0 HB ILE A 43 20.037 3.040 -35.908 1.00 0.00 H new ATOM 0 HG12 ILE A 43 20.874 2.500 -38.711 1.00 0.00 H new ATOM 0 HG13 ILE A 43 20.105 3.916 -38.022 1.00 0.00 H new ATOM 0 HG21 ILE A 43 22.420 2.424 -35.767 1.00 0.00 H new ATOM 0 HG22 ILE A 43 21.354 1.173 -35.086 1.00 0.00 H new ATOM 0 HG23 ILE A 43 22.078 0.945 -36.695 1.00 0.00 H new ATOM 0 HD11 ILE A 43 22.273 4.406 -38.841 1.00 0.00 H new ATOM 0 HD12 ILE A 43 22.205 4.611 -37.074 1.00 0.00 H new ATOM 0 HD13 ILE A 43 22.986 3.173 -37.774 1.00 0.00 H new ATOM 439 N HIS B 17 10.961 -0.794 -29.084 1.00 0.00 N ATOM 440 CA HIS B 17 11.950 0.161 -29.623 1.00 0.00 C ATOM 441 C HIS B 17 11.939 1.503 -28.893 1.00 0.00 C ATOM 442 O HIS B 17 11.087 1.825 -28.107 1.00 0.00 O ATOM 443 CB HIS B 17 11.881 0.360 -31.134 1.00 0.00 C ATOM 444 CG HIS B 17 12.037 -0.881 -31.998 1.00 0.00 C ATOM 445 ND1 HIS B 17 10.991 -1.702 -32.422 1.00 0.00 N ATOM 446 CD2 HIS B 17 13.166 -1.301 -32.597 1.00 0.00 C ATOM 447 CE1 HIS B 17 11.507 -2.701 -33.096 1.00 0.00 C ATOM 448 NE2 HIS B 17 12.825 -2.433 -33.314 1.00 0.00 N ATOM 0 HA HIS B 17 12.908 -0.320 -29.427 1.00 0.00 H new ATOM 0 HB2 HIS B 17 10.922 0.821 -31.372 1.00 0.00 H new ATOM 0 HB3 HIS B 17 12.656 1.071 -31.418 1.00 0.00 H new ATOM 0 HD2 HIS B 17 14.143 -0.845 -32.531 1.00 0.00 H new ATOM 0 HE1 HIS B 17 10.978 -3.584 -33.422 1.00 0.00 H new ATOM 0 HE2 HIS B 17 13.454 -2.976 -33.906 1.00 0.00 H new ATOM 456 N ILE B 18 13.037 2.275 -29.143 1.00 0.00 N ATOM 457 CA ILE B 18 13.206 3.620 -28.625 1.00 0.00 C ATOM 458 C ILE B 18 13.551 4.566 -29.791 1.00 0.00 C ATOM 459 O ILE B 18 14.491 4.387 -30.568 1.00 0.00 O ATOM 460 CB ILE B 18 14.226 3.683 -27.464 1.00 0.00 C ATOM 461 CG1 ILE B 18 14.335 5.012 -26.695 1.00 0.00 C ATOM 462 CG2 ILE B 18 15.610 3.047 -27.795 1.00 0.00 C ATOM 463 CD1 ILE B 18 15.492 5.085 -25.642 1.00 0.00 C ATOM 0 H ILE B 18 13.820 1.958 -29.715 1.00 0.00 H new ATOM 0 HA ILE B 18 12.268 3.953 -28.181 1.00 0.00 H new ATOM 0 HB ILE B 18 13.753 3.028 -26.732 1.00 0.00 H new ATOM 0 HG12 ILE B 18 14.470 5.819 -27.415 1.00 0.00 H new ATOM 0 HG13 ILE B 18 13.390 5.196 -26.184 1.00 0.00 H new ATOM 0 HG21 ILE B 18 16.266 3.133 -26.929 1.00 0.00 H new ATOM 0 HG22 ILE B 18 15.476 1.995 -28.046 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.057 3.568 -28.642 1.00 0.00 H new ATOM 0 HD11 ILE B 18 15.481 6.061 -25.157 1.00 0.00 H new ATOM 0 HD12 ILE B 18 15.352 4.306 -24.893 1.00 0.00 H new ATOM 0 HD13 ILE B 18 16.449 4.939 -26.142 1.00 0.00 H new ATOM 475 N ASN B 19 12.743 5.651 -29.881 1.00 0.00 N ATOM 476 CA ASN B 19 12.985 6.798 -30.753 1.00 0.00 C ATOM 477 C ASN B 19 13.900 7.838 -30.138 1.00 0.00 C ATOM 478 O ASN B 19 13.660 8.257 -29.006 1.00 0.00 O ATOM 479 CB ASN B 19 11.660 7.496 -31.131 1.00 0.00 C ATOM 480 CG ASN B 19 10.923 6.920 -32.295 1.00 0.00 C ATOM 481 OD1 ASN B 19 11.329 7.214 -33.417 1.00 0.00 O ATOM 482 ND2 ASN B 19 9.906 6.144 -32.146 1.00 0.00 N ATOM 0 H ASN B 19 11.889 5.743 -29.331 1.00 0.00 H new ATOM 0 HA ASN B 19 13.474 6.387 -31.636 1.00 0.00 H new ATOM 0 HB2 ASN B 19 11.001 7.474 -30.263 1.00 0.00 H new ATOM 0 HB3 ASN B 19 11.873 8.544 -31.344 1.00 0.00 H new ATOM 0 HD21 ASN B 19 9.428 5.766 -32.964 1.00 0.00 H new ATOM 0 HD22 ASN B 19 9.578 5.907 -31.210 1.00 0.00 H new ATOM 489 N LEU B 20 14.941 8.392 -30.865 1.00 0.00 N ATOM 490 CA LEU B 20 15.652 9.560 -30.574 1.00 0.00 C ATOM 491 C LEU B 20 15.478 10.638 -31.641 1.00 0.00 C ATOM 492 O LEU B 20 14.861 10.388 -32.650 1.00 0.00 O ATOM 493 CB LEU B 20 17.169 9.226 -30.427 1.00 0.00 C ATOM 494 CG LEU B 20 17.444 8.240 -29.177 1.00 0.00 C ATOM 495 CD1 LEU B 20 18.952 7.808 -29.011 1.00 0.00 C ATOM 496 CD2 LEU B 20 16.997 8.852 -27.842 1.00 0.00 C ATOM 0 H LEU B 20 15.278 7.950 -31.720 1.00 0.00 H new ATOM 0 HA LEU B 20 15.250 9.954 -29.641 1.00 0.00 H new ATOM 0 HB2 LEU B 20 17.530 8.761 -31.344 1.00 0.00 H new ATOM 0 HB3 LEU B 20 17.734 10.149 -30.294 1.00 0.00 H new ATOM 0 HG LEU B 20 16.851 7.358 -29.418 1.00 0.00 H new ATOM 0 HD11 LEU B 20 19.049 7.147 -28.149 1.00 0.00 H new ATOM 0 HD12 LEU B 20 19.281 7.284 -29.908 1.00 0.00 H new ATOM 0 HD13 LEU B 20 19.570 8.693 -28.860 1.00 0.00 H new ATOM 0 HD21 LEU B 20 17.203 8.151 -27.033 1.00 0.00 H new ATOM 0 HD22 LEU B 20 17.542 9.779 -27.666 1.00 0.00 H new ATOM 0 HD23 LEU B 20 15.928 9.061 -27.877 1.00 0.00 H new ATOM 508 N LYS B 21 15.904 11.864 -31.344 1.00 0.00 N ATOM 509 CA LYS B 21 15.965 12.936 -32.304 1.00 0.00 C ATOM 510 C LYS B 21 17.343 13.518 -32.291 1.00 0.00 C ATOM 511 O LYS B 21 17.922 13.483 -31.187 1.00 0.00 O ATOM 512 CB LYS B 21 14.961 13.991 -32.045 1.00 0.00 C ATOM 513 CG LYS B 21 13.609 13.509 -32.483 1.00 0.00 C ATOM 514 CD LYS B 21 12.443 14.457 -32.110 1.00 0.00 C ATOM 515 CE LYS B 21 11.122 13.887 -32.569 1.00 0.00 C ATOM 516 NZ LYS B 21 9.980 14.814 -32.262 1.00 0.00 N ATOM 0 H LYS B 21 16.219 12.133 -30.412 1.00 0.00 H new ATOM 0 HA LYS B 21 15.734 12.523 -33.286 1.00 0.00 H new ATOM 0 HB2 LYS B 21 14.944 14.240 -30.984 1.00 0.00 H new ATOM 0 HB3 LYS B 21 15.227 14.901 -32.582 1.00 0.00 H new ATOM 0 HG2 LYS B 21 13.618 13.371 -33.564 1.00 0.00 H new ATOM 0 HG3 LYS B 21 13.423 12.531 -32.039 1.00 0.00 H new ATOM 0 HD2 LYS B 21 12.423 14.610 -31.031 1.00 0.00 H new ATOM 0 HD3 LYS B 21 12.602 15.434 -32.567 1.00 0.00 H new ATOM 0 HE2 LYS B 21 11.160 13.699 -33.642 1.00 0.00 H new ATOM 0 HE3 LYS B 21 10.952 12.926 -32.083 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 9.090 14.389 -32.592 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 9.929 14.973 -31.236 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 10.130 15.722 -32.746 1.00 0.00 H new ATOM 530 N VAL B 22 17.923 14.049 -33.334 1.00 0.00 N ATOM 531 CA VAL B 22 19.179 14.861 -33.322 1.00 0.00 C ATOM 532 C VAL B 22 18.794 16.303 -33.817 1.00 0.00 C ATOM 533 O VAL B 22 18.142 16.371 -34.898 1.00 0.00 O ATOM 534 CB VAL B 22 20.289 14.226 -34.239 1.00 0.00 C ATOM 535 CG1 VAL B 22 21.546 15.065 -34.106 1.00 0.00 C ATOM 536 CG2 VAL B 22 20.656 12.804 -33.803 1.00 0.00 C ATOM 0 H VAL B 22 17.540 13.941 -34.273 1.00 0.00 H new ATOM 0 HA VAL B 22 19.600 14.894 -32.317 1.00 0.00 H new ATOM 0 HB VAL B 22 19.902 14.196 -35.258 1.00 0.00 H new ATOM 0 HG11 VAL B 22 22.332 14.645 -34.733 1.00 0.00 H new ATOM 0 HG12 VAL B 22 21.337 16.087 -34.423 1.00 0.00 H new ATOM 0 HG13 VAL B 22 21.874 15.067 -33.066 1.00 0.00 H new ATOM 0 HG21 VAL B 22 21.425 12.408 -34.465 1.00 0.00 H new ATOM 0 HG22 VAL B 22 21.032 12.823 -32.780 1.00 0.00 H new ATOM 0 HG23 VAL B 22 19.772 12.169 -33.853 1.00 0.00 H new ATOM 546 N ALA B 23 19.008 17.347 -32.988 1.00 0.00 N ATOM 547 CA ALA B 23 18.882 18.724 -33.407 1.00 0.00 C ATOM 548 C ALA B 23 20.261 19.291 -33.781 1.00 0.00 C ATOM 549 O ALA B 23 21.359 18.632 -33.544 1.00 0.00 O ATOM 550 CB ALA B 23 18.275 19.503 -32.296 1.00 0.00 C ATOM 0 H ALA B 23 19.273 17.238 -32.009 1.00 0.00 H new ATOM 0 HA ALA B 23 18.243 18.791 -34.288 1.00 0.00 H new ATOM 0 HB1 ALA B 23 18.173 20.546 -32.596 1.00 0.00 H new ATOM 0 HB2 ALA B 23 17.292 19.095 -32.060 1.00 0.00 H new ATOM 0 HB3 ALA B 23 18.915 19.440 -31.416 1.00 0.00 H new ATOM 556 N GLY B 24 20.178 20.513 -34.310 1.00 0.00 N ATOM 557 CA GLY B 24 21.274 21.202 -34.886 1.00 0.00 C ATOM 558 C GLY B 24 21.316 22.768 -34.672 1.00 0.00 C ATOM 559 O GLY B 24 20.265 23.423 -34.302 1.00 0.00 O ATOM 0 H GLY B 24 19.308 21.044 -34.337 1.00 0.00 H new ATOM 0 HA2 GLY B 24 22.193 20.778 -34.482 1.00 0.00 H new ATOM 0 HA3 GLY B 24 21.276 21.004 -35.958 1.00 0.00 H new ATOM 563 N GLN B 25 22.381 23.461 -35.061 1.00 0.00 N ATOM 564 CA GLN B 25 22.564 24.887 -34.854 1.00 0.00 C ATOM 565 C GLN B 25 21.794 25.598 -35.903 1.00 0.00 C ATOM 566 O GLN B 25 21.380 26.703 -35.690 1.00 0.00 O ATOM 567 CB GLN B 25 24.017 25.316 -34.749 1.00 0.00 C ATOM 568 CG GLN B 25 24.678 24.868 -33.440 1.00 0.00 C ATOM 569 CD GLN B 25 25.816 25.709 -32.951 1.00 0.00 C ATOM 570 OE1 GLN B 25 26.523 26.383 -33.677 1.00 0.00 O ATOM 571 NE2 GLN B 25 26.198 25.585 -31.695 1.00 0.00 N ATOM 0 H GLN B 25 23.166 23.027 -35.546 1.00 0.00 H new ATOM 0 HA GLN B 25 22.173 25.163 -33.875 1.00 0.00 H new ATOM 0 HB2 GLN B 25 24.574 24.904 -35.591 1.00 0.00 H new ATOM 0 HB3 GLN B 25 24.077 26.402 -34.827 1.00 0.00 H new ATOM 0 HG2 GLN B 25 23.914 24.840 -32.663 1.00 0.00 H new ATOM 0 HG3 GLN B 25 25.038 23.847 -33.570 1.00 0.00 H new ATOM 0 HE21 GLN B 25 25.641 25.031 -31.045 1.00 0.00 H new ATOM 0 HE22 GLN B 25 27.051 26.043 -31.374 1.00 0.00 H new ATOM 580 N ASP B 26 21.660 25.100 -37.123 1.00 0.00 N ATOM 581 CA ASP B 26 20.853 25.635 -38.352 1.00 0.00 C ATOM 582 C ASP B 26 19.323 25.363 -38.150 1.00 0.00 C ATOM 583 O ASP B 26 18.391 25.613 -38.919 1.00 0.00 O ATOM 584 CB ASP B 26 21.338 24.945 -39.670 1.00 0.00 C ATOM 585 CG ASP B 26 21.174 23.367 -39.719 1.00 0.00 C ATOM 586 OD1 ASP B 26 20.495 22.725 -38.843 1.00 0.00 O ATOM 587 OD2 ASP B 26 21.611 22.765 -40.666 1.00 0.00 O ATOM 0 H ASP B 26 22.134 24.230 -37.364 1.00 0.00 H new ATOM 0 HA ASP B 26 21.022 26.709 -38.433 1.00 0.00 H new ATOM 0 HB2 ASP B 26 20.789 25.375 -40.507 1.00 0.00 H new ATOM 0 HB3 ASP B 26 22.390 25.188 -39.820 1.00 0.00 H new ATOM 592 N GLY B 27 19.012 24.622 -37.078 1.00 0.00 N ATOM 593 CA GLY B 27 17.619 24.448 -36.555 1.00 0.00 C ATOM 594 C GLY B 27 16.947 23.154 -37.092 1.00 0.00 C ATOM 595 O GLY B 27 15.847 22.850 -36.683 1.00 0.00 O ATOM 0 H GLY B 27 19.712 24.117 -36.535 1.00 0.00 H new ATOM 0 HA2 GLY B 27 17.643 24.418 -35.466 1.00 0.00 H new ATOM 0 HA3 GLY B 27 17.017 25.312 -36.837 1.00 0.00 H new ATOM 599 N SER B 28 17.651 22.355 -37.913 1.00 0.00 N ATOM 600 CA SER B 28 17.113 21.109 -38.428 1.00 0.00 C ATOM 601 C SER B 28 17.114 19.879 -37.522 1.00 0.00 C ATOM 602 O SER B 28 17.934 19.786 -36.579 1.00 0.00 O ATOM 603 CB SER B 28 17.813 20.786 -39.762 1.00 0.00 C ATOM 604 OG SER B 28 19.206 20.503 -39.461 1.00 0.00 O ATOM 0 H SER B 28 18.598 22.563 -38.229 1.00 0.00 H new ATOM 0 HA SER B 28 16.047 21.311 -38.534 1.00 0.00 H new ATOM 0 HB2 SER B 28 17.343 19.930 -40.245 1.00 0.00 H new ATOM 0 HB3 SER B 28 17.732 21.626 -40.452 1.00 0.00 H new ATOM 0 HG SER B 28 19.743 21.309 -39.611 1.00 0.00 H new ATOM 610 N VAL B 29 16.127 18.991 -37.727 1.00 0.00 N ATOM 611 CA VAL B 29 15.880 17.856 -36.858 1.00 0.00 C ATOM 612 C VAL B 29 15.651 16.652 -37.730 1.00 0.00 C ATOM 613 O VAL B 29 14.885 16.616 -38.725 1.00 0.00 O ATOM 614 CB VAL B 29 14.856 18.252 -35.810 1.00 0.00 C ATOM 615 CG1 VAL B 29 14.607 17.112 -34.822 1.00 0.00 C ATOM 616 CG2 VAL B 29 15.210 19.476 -34.887 1.00 0.00 C ATOM 0 H VAL B 29 15.478 19.052 -38.512 1.00 0.00 H new ATOM 0 HA VAL B 29 16.719 17.546 -36.234 1.00 0.00 H new ATOM 0 HB VAL B 29 14.004 18.516 -36.437 1.00 0.00 H new ATOM 0 HG11 VAL B 29 13.869 17.425 -34.083 1.00 0.00 H new ATOM 0 HG12 VAL B 29 14.235 16.240 -35.359 1.00 0.00 H new ATOM 0 HG13 VAL B 29 15.539 16.857 -34.318 1.00 0.00 H new ATOM 0 HG21 VAL B 29 14.394 19.650 -34.185 1.00 0.00 H new ATOM 0 HG22 VAL B 29 16.125 19.262 -34.334 1.00 0.00 H new ATOM 0 HG23 VAL B 29 15.357 20.364 -35.501 1.00 0.00 H new ATOM 626 N VAL B 30 16.310 15.580 -37.304 1.00 0.00 N ATOM 627 CA VAL B 30 16.027 14.221 -37.747 1.00 0.00 C ATOM 628 C VAL B 30 15.645 13.203 -36.591 1.00 0.00 C ATOM 629 O VAL B 30 16.156 13.410 -35.512 1.00 0.00 O ATOM 630 CB VAL B 30 17.074 13.572 -38.597 1.00 0.00 C ATOM 631 CG1 VAL B 30 17.227 14.284 -39.896 1.00 0.00 C ATOM 632 CG2 VAL B 30 18.427 13.663 -37.997 1.00 0.00 C ATOM 0 H VAL B 30 17.071 15.633 -36.627 1.00 0.00 H new ATOM 0 HA VAL B 30 15.152 14.412 -38.369 1.00 0.00 H new ATOM 0 HB VAL B 30 16.739 12.540 -38.703 1.00 0.00 H new ATOM 0 HG11 VAL B 30 17.994 13.791 -40.493 1.00 0.00 H new ATOM 0 HG12 VAL B 30 16.280 14.265 -40.435 1.00 0.00 H new ATOM 0 HG13 VAL B 30 17.519 15.318 -39.712 1.00 0.00 H new ATOM 0 HG21 VAL B 30 19.149 13.177 -38.653 1.00 0.00 H new ATOM 0 HG22 VAL B 30 18.699 14.711 -37.870 1.00 0.00 H new ATOM 0 HG23 VAL B 30 18.428 13.168 -37.026 1.00 0.00 H new ATOM 642 N GLN B 31 14.770 12.247 -36.791 1.00 0.00 N ATOM 643 CA GLN B 31 14.358 11.240 -35.859 1.00 0.00 C ATOM 644 C GLN B 31 14.961 9.859 -36.219 1.00 0.00 C ATOM 645 O GLN B 31 15.153 9.560 -37.379 1.00 0.00 O ATOM 646 CB GLN B 31 12.846 11.195 -35.696 1.00 0.00 C ATOM 647 CG GLN B 31 12.199 10.138 -34.825 1.00 0.00 C ATOM 648 CD GLN B 31 10.657 10.395 -34.590 1.00 0.00 C ATOM 649 OE1 GLN B 31 10.201 11.468 -34.886 1.00 0.00 O ATOM 650 NE2 GLN B 31 9.908 9.420 -34.267 1.00 0.00 N ATOM 0 H GLN B 31 14.292 12.151 -37.687 1.00 0.00 H new ATOM 0 HA GLN B 31 14.757 11.514 -34.883 1.00 0.00 H new ATOM 0 HB2 GLN B 31 12.535 12.165 -35.309 1.00 0.00 H new ATOM 0 HB3 GLN B 31 12.417 11.097 -36.693 1.00 0.00 H new ATOM 0 HG2 GLN B 31 12.333 9.161 -35.288 1.00 0.00 H new ATOM 0 HG3 GLN B 31 12.708 10.107 -33.862 1.00 0.00 H new ATOM 0 HE21 GLN B 31 10.320 8.520 -34.020 1.00 0.00 H new ATOM 0 HE22 GLN B 31 8.895 9.537 -34.255 1.00 0.00 H new ATOM 659 N PHE B 32 15.345 9.092 -35.216 1.00 0.00 N ATOM 660 CA PHE B 32 15.955 7.803 -35.314 1.00 0.00 C ATOM 661 C PHE B 32 15.077 6.799 -34.530 1.00 0.00 C ATOM 662 O PHE B 32 14.837 7.037 -33.341 1.00 0.00 O ATOM 663 CB PHE B 32 17.348 7.776 -34.648 1.00 0.00 C ATOM 664 CG PHE B 32 18.408 8.385 -35.460 1.00 0.00 C ATOM 665 CD1 PHE B 32 18.703 9.751 -35.352 1.00 0.00 C ATOM 666 CD2 PHE B 32 19.267 7.577 -36.273 1.00 0.00 C ATOM 667 CE1 PHE B 32 19.704 10.362 -36.127 1.00 0.00 C ATOM 668 CE2 PHE B 32 20.267 8.214 -37.017 1.00 0.00 C ATOM 669 CZ PHE B 32 20.542 9.545 -36.880 1.00 0.00 C ATOM 0 H PHE B 32 15.225 9.386 -34.247 1.00 0.00 H new ATOM 0 HA PHE B 32 16.052 7.556 -36.371 1.00 0.00 H new ATOM 0 HB2 PHE B 32 17.293 8.296 -33.692 1.00 0.00 H new ATOM 0 HB3 PHE B 32 17.617 6.742 -34.433 1.00 0.00 H new ATOM 0 HD1 PHE B 32 18.144 10.353 -34.651 1.00 0.00 H new ATOM 0 HD2 PHE B 32 19.146 6.504 -36.311 1.00 0.00 H new ATOM 0 HE1 PHE B 32 19.820 11.436 -36.138 1.00 0.00 H new ATOM 0 HE2 PHE B 32 20.841 7.633 -37.724 1.00 0.00 H new ATOM 0 HZ PHE B 32 21.414 9.965 -37.358 1.00 0.00 H new ATOM 679 N LYS B 33 14.638 5.704 -35.178 1.00 0.00 N ATOM 680 CA LYS B 33 14.138 4.501 -34.406 1.00 0.00 C ATOM 681 C LYS B 33 15.268 3.460 -34.248 1.00 0.00 C ATOM 682 O LYS B 33 15.819 3.014 -35.242 1.00 0.00 O ATOM 683 CB LYS B 33 12.904 3.995 -35.133 1.00 0.00 C ATOM 684 CG LYS B 33 12.286 2.769 -34.482 1.00 0.00 C ATOM 685 CD LYS B 33 11.237 2.146 -35.381 1.00 0.00 C ATOM 686 CE LYS B 33 10.368 1.040 -34.684 1.00 0.00 C ATOM 687 NZ LYS B 33 9.190 0.685 -35.548 1.00 0.00 N ATOM 0 H LYS B 33 14.610 5.606 -36.193 1.00 0.00 H new ATOM 0 HA LYS B 33 13.850 4.746 -33.384 1.00 0.00 H new ATOM 0 HB2 LYS B 33 12.161 4.791 -35.171 1.00 0.00 H new ATOM 0 HB3 LYS B 33 13.169 3.757 -36.163 1.00 0.00 H new ATOM 0 HG2 LYS B 33 13.064 2.037 -34.264 1.00 0.00 H new ATOM 0 HG3 LYS B 33 11.835 3.047 -33.530 1.00 0.00 H new ATOM 0 HD2 LYS B 33 10.578 2.932 -35.750 1.00 0.00 H new ATOM 0 HD3 LYS B 33 11.731 1.711 -36.250 1.00 0.00 H new ATOM 0 HE2 LYS B 33 10.974 0.153 -34.500 1.00 0.00 H new ATOM 0 HE3 LYS B 33 10.022 1.396 -33.714 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 8.622 -0.048 -35.077 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 8.605 1.531 -35.702 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 9.527 0.326 -36.464 1.00 0.00 H new ATOM 701 N ILE B 34 15.585 3.215 -32.967 1.00 0.00 N ATOM 702 CA ILE B 34 16.698 2.288 -32.617 1.00 0.00 C ATOM 703 C ILE B 34 16.233 1.369 -31.524 1.00 0.00 C ATOM 704 O ILE B 34 15.164 1.561 -30.934 1.00 0.00 O ATOM 705 CB ILE B 34 17.932 3.039 -32.280 1.00 0.00 C ATOM 706 CG1 ILE B 34 17.849 3.895 -30.975 1.00 0.00 C ATOM 707 CG2 ILE B 34 18.418 3.829 -33.488 1.00 0.00 C ATOM 708 CD1 ILE B 34 19.289 4.336 -30.499 1.00 0.00 C ATOM 0 H ILE B 34 15.106 3.629 -32.167 1.00 0.00 H new ATOM 0 HA ILE B 34 16.966 1.672 -33.476 1.00 0.00 H new ATOM 0 HB ILE B 34 18.687 2.292 -32.033 1.00 0.00 H new ATOM 0 HG12 ILE B 34 17.234 4.777 -31.152 1.00 0.00 H new ATOM 0 HG13 ILE B 34 17.362 3.320 -30.188 1.00 0.00 H new ATOM 0 HG21 ILE B 34 19.324 4.375 -33.225 1.00 0.00 H new ATOM 0 HG22 ILE B 34 18.632 3.144 -34.309 1.00 0.00 H new ATOM 0 HG23 ILE B 34 17.646 4.534 -33.796 1.00 0.00 H new ATOM 0 HD11 ILE B 34 19.205 4.931 -29.589 1.00 0.00 H new ATOM 0 HD12 ILE B 34 19.893 3.451 -30.300 1.00 0.00 H new ATOM 0 HD13 ILE B 34 19.764 4.931 -31.279 1.00 0.00 H new ATOM 720 N LYS B 35 16.994 0.391 -31.131 1.00 0.00 N ATOM 721 CA LYS B 35 16.807 -0.414 -29.924 1.00 0.00 C ATOM 722 C LYS B 35 17.612 0.027 -28.682 1.00 0.00 C ATOM 723 O LYS B 35 18.626 0.690 -28.854 1.00 0.00 O ATOM 724 CB LYS B 35 17.030 -1.929 -30.144 1.00 0.00 C ATOM 725 CG LYS B 35 16.014 -2.501 -31.102 1.00 0.00 C ATOM 726 CD LYS B 35 16.429 -3.987 -31.235 1.00 0.00 C ATOM 727 CE LYS B 35 15.336 -4.923 -31.682 1.00 0.00 C ATOM 728 NZ LYS B 35 15.806 -6.168 -32.237 1.00 0.00 N ATOM 0 H LYS B 35 17.815 0.104 -31.664 1.00 0.00 H new ATOM 0 HA LYS B 35 15.756 -0.224 -29.708 1.00 0.00 H new ATOM 0 HB2 LYS B 35 18.034 -2.098 -30.533 1.00 0.00 H new ATOM 0 HB3 LYS B 35 16.966 -2.450 -29.189 1.00 0.00 H new ATOM 0 HG2 LYS B 35 15.000 -2.402 -30.716 1.00 0.00 H new ATOM 0 HG3 LYS B 35 16.040 -1.991 -32.065 1.00 0.00 H new ATOM 0 HD2 LYS B 35 17.255 -4.055 -31.943 1.00 0.00 H new ATOM 0 HD3 LYS B 35 16.807 -4.329 -30.272 1.00 0.00 H new ATOM 0 HE2 LYS B 35 14.690 -5.140 -30.831 1.00 0.00 H new ATOM 0 HE3 LYS B 35 14.723 -4.416 -32.427 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 14.993 -6.752 -32.518 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 16.398 -5.975 -33.070 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 16.367 -6.676 -31.524 1.00 0.00 H new ATOM 742 N ARG B 36 17.125 -0.156 -27.457 1.00 0.00 N ATOM 743 CA ARG B 36 17.735 0.494 -26.276 1.00 0.00 C ATOM 744 C ARG B 36 19.134 0.035 -25.995 1.00 0.00 C ATOM 745 O ARG B 36 19.772 0.779 -25.280 1.00 0.00 O ATOM 746 CB ARG B 36 16.871 0.148 -25.036 1.00 0.00 C ATOM 747 CG ARG B 36 15.719 1.108 -24.854 1.00 0.00 C ATOM 748 CD ARG B 36 14.967 0.859 -23.559 1.00 0.00 C ATOM 749 NE ARG B 36 15.653 1.443 -22.364 1.00 0.00 N ATOM 750 CZ ARG B 36 15.482 2.721 -21.977 1.00 0.00 C ATOM 751 NH1 ARG B 36 14.602 3.515 -22.536 1.00 0.00 N ATOM 752 NH2 ARG B 36 16.319 3.183 -21.062 1.00 0.00 N ATOM 0 H ARG B 36 16.317 -0.742 -27.246 1.00 0.00 H new ATOM 0 HA ARG B 36 17.775 1.563 -26.485 1.00 0.00 H new ATOM 0 HB2 ARG B 36 16.484 -0.866 -25.137 1.00 0.00 H new ATOM 0 HB3 ARG B 36 17.497 0.162 -24.144 1.00 0.00 H new ATOM 0 HG2 ARG B 36 16.095 2.131 -24.863 1.00 0.00 H new ATOM 0 HG3 ARG B 36 15.032 1.013 -25.695 1.00 0.00 H new ATOM 0 HD2 ARG B 36 13.966 1.282 -23.639 1.00 0.00 H new ATOM 0 HD3 ARG B 36 14.849 -0.215 -23.415 1.00 0.00 H new ATOM 0 HE ARG B 36 16.277 0.847 -21.820 1.00 0.00 H new ATOM 0 HH11 ARG B 36 14.014 3.171 -23.295 1.00 0.00 H new ATOM 0 HH12 ARG B 36 14.505 4.477 -22.212 1.00 0.00 H new ATOM 0 HH21 ARG B 36 17.049 2.577 -20.686 1.00 0.00 H new ATOM 0 HH22 ARG B 36 16.235 4.145 -20.733 1.00 0.00 H new ATOM 766 N HIS B 37 19.622 -1.108 -26.518 1.00 0.00 N ATOM 767 CA HIS B 37 20.932 -1.676 -26.377 1.00 0.00 C ATOM 768 C HIS B 37 21.790 -1.480 -27.654 1.00 0.00 C ATOM 769 O HIS B 37 22.907 -1.993 -27.794 1.00 0.00 O ATOM 770 CB HIS B 37 20.847 -3.119 -26.027 1.00 0.00 C ATOM 771 CG HIS B 37 19.815 -3.875 -26.787 1.00 0.00 C ATOM 772 ND1 HIS B 37 20.050 -4.490 -28.060 1.00 0.00 N ATOM 773 CD2 HIS B 37 18.497 -4.112 -26.471 1.00 0.00 C ATOM 774 CE1 HIS B 37 18.906 -5.193 -28.338 1.00 0.00 C ATOM 775 NE2 HIS B 37 17.940 -4.964 -27.398 1.00 0.00 N ATOM 0 H HIS B 37 19.031 -1.697 -27.104 1.00 0.00 H new ATOM 0 HA HIS B 37 21.426 -1.145 -25.563 1.00 0.00 H new ATOM 0 HB2 HIS B 37 21.819 -3.580 -26.200 1.00 0.00 H new ATOM 0 HB3 HIS B 37 20.636 -3.210 -24.962 1.00 0.00 H new ATOM 0 HD2 HIS B 37 17.977 -3.692 -25.623 1.00 0.00 H new ATOM 0 HE1 HIS B 37 18.784 -5.844 -29.191 1.00 0.00 H new ATOM 0 HE2 HIS B 37 16.995 -5.348 -27.386 1.00 0.00 H new ATOM 783 N THR B 38 21.246 -0.778 -28.647 1.00 0.00 N ATOM 784 CA THR B 38 21.952 -0.395 -29.862 1.00 0.00 C ATOM 785 C THR B 38 23.070 0.588 -29.512 1.00 0.00 C ATOM 786 O THR B 38 22.803 1.507 -28.780 1.00 0.00 O ATOM 787 CB THR B 38 20.995 0.327 -30.862 1.00 0.00 C ATOM 788 OG1 THR B 38 19.966 -0.589 -31.229 1.00 0.00 O ATOM 789 CG2 THR B 38 21.723 0.758 -32.181 1.00 0.00 C ATOM 0 H THR B 38 20.279 -0.454 -28.625 1.00 0.00 H new ATOM 0 HA THR B 38 22.347 -1.303 -30.317 1.00 0.00 H new ATOM 0 HB THR B 38 20.612 1.220 -30.368 1.00 0.00 H new ATOM 0 HG1 THR B 38 19.770 -0.496 -32.185 1.00 0.00 H new ATOM 0 HG21 THR B 38 21.014 1.255 -32.842 1.00 0.00 H new ATOM 0 HG22 THR B 38 22.536 1.443 -31.941 1.00 0.00 H new ATOM 0 HG23 THR B 38 22.126 -0.124 -32.679 1.00 0.00 H new ATOM 797 N PRO B 39 24.272 0.497 -30.130 1.00 0.00 N ATOM 798 CA PRO B 39 25.385 1.398 -29.966 1.00 0.00 C ATOM 799 C PRO B 39 25.003 2.793 -30.597 1.00 0.00 C ATOM 800 O PRO B 39 24.634 2.936 -31.748 1.00 0.00 O ATOM 801 CB PRO B 39 26.543 0.818 -30.613 1.00 0.00 C ATOM 802 CG PRO B 39 26.179 -0.674 -30.858 1.00 0.00 C ATOM 803 CD PRO B 39 24.671 -0.711 -30.754 1.00 0.00 C ATOM 0 HA PRO B 39 25.620 1.553 -28.913 1.00 0.00 H new ATOM 0 HB2 PRO B 39 26.764 1.327 -31.551 1.00 0.00 H new ATOM 0 HB3 PRO B 39 27.429 0.908 -29.985 1.00 0.00 H new ATOM 0 HG2 PRO B 39 26.519 -1.011 -31.837 1.00 0.00 H new ATOM 0 HG3 PRO B 39 26.645 -1.324 -30.118 1.00 0.00 H new ATOM 0 HD2 PRO B 39 24.218 -0.804 -31.741 1.00 0.00 H new ATOM 0 HD3 PRO B 39 24.345 -1.573 -30.171 1.00 0.00 H new ATOM 811 N LEU B 40 25.033 3.897 -29.813 1.00 0.00 N ATOM 812 CA LEU B 40 24.977 5.249 -30.244 1.00 0.00 C ATOM 813 C LEU B 40 26.095 5.577 -31.285 1.00 0.00 C ATOM 814 O LEU B 40 25.907 6.488 -32.063 1.00 0.00 O ATOM 815 CB LEU B 40 25.037 6.173 -28.944 1.00 0.00 C ATOM 816 CG LEU B 40 23.713 6.098 -28.109 1.00 0.00 C ATOM 817 CD1 LEU B 40 23.699 7.141 -26.962 1.00 0.00 C ATOM 818 CD2 LEU B 40 22.469 6.412 -28.869 1.00 0.00 C ATOM 0 H LEU B 40 25.102 3.823 -28.798 1.00 0.00 H new ATOM 0 HA LEU B 40 24.045 5.441 -30.775 1.00 0.00 H new ATOM 0 HB2 LEU B 40 25.877 5.867 -28.320 1.00 0.00 H new ATOM 0 HB3 LEU B 40 25.220 7.206 -29.241 1.00 0.00 H new ATOM 0 HG LEU B 40 23.711 5.061 -27.772 1.00 0.00 H new ATOM 0 HD11 LEU B 40 22.765 7.058 -26.406 1.00 0.00 H new ATOM 0 HD12 LEU B 40 24.538 6.956 -26.292 1.00 0.00 H new ATOM 0 HD13 LEU B 40 23.784 8.144 -27.381 1.00 0.00 H new ATOM 0 HD21 LEU B 40 21.608 6.333 -28.206 1.00 0.00 H new ATOM 0 HD22 LEU B 40 22.531 7.426 -29.265 1.00 0.00 H new ATOM 0 HD23 LEU B 40 22.358 5.707 -29.693 1.00 0.00 H new ATOM 830 N SER B 41 27.201 4.856 -31.270 1.00 0.00 N ATOM 831 CA SER B 41 28.263 5.052 -32.320 1.00 0.00 C ATOM 832 C SER B 41 27.757 4.798 -33.671 1.00 0.00 C ATOM 833 O SER B 41 28.254 5.503 -34.575 1.00 0.00 O ATOM 834 CB SER B 41 29.332 4.042 -31.935 1.00 0.00 C ATOM 835 OG SER B 41 28.817 2.721 -32.021 1.00 0.00 O ATOM 0 H SER B 41 27.413 4.140 -30.575 1.00 0.00 H new ATOM 0 HA SER B 41 28.631 6.078 -32.350 1.00 0.00 H new ATOM 0 HB2 SER B 41 30.195 4.147 -32.593 1.00 0.00 H new ATOM 0 HB3 SER B 41 29.679 4.239 -30.921 1.00 0.00 H new ATOM 0 HG SER B 41 29.516 2.081 -31.772 1.00 0.00 H new ATOM 841 N LYS B 42 26.706 4.043 -33.930 1.00 0.00 N ATOM 842 CA LYS B 42 25.963 4.022 -35.204 1.00 0.00 C ATOM 843 C LYS B 42 25.190 5.245 -35.488 1.00 0.00 C ATOM 844 O LYS B 42 25.508 5.820 -36.525 1.00 0.00 O ATOM 845 CB LYS B 42 25.073 2.775 -35.355 1.00 0.00 C ATOM 846 CG LYS B 42 25.858 1.437 -35.188 1.00 0.00 C ATOM 847 CD LYS B 42 24.877 0.248 -35.226 1.00 0.00 C ATOM 848 CE LYS B 42 25.523 -1.131 -35.163 1.00 0.00 C ATOM 849 NZ LYS B 42 25.913 -1.581 -36.491 1.00 0.00 N ATOM 0 H LYS B 42 26.321 3.398 -33.240 1.00 0.00 H new ATOM 0 HA LYS B 42 26.750 3.978 -35.957 1.00 0.00 H new ATOM 0 HB2 LYS B 42 24.274 2.815 -34.615 1.00 0.00 H new ATOM 0 HB3 LYS B 42 24.599 2.791 -36.337 1.00 0.00 H new ATOM 0 HG2 LYS B 42 26.597 1.336 -35.983 1.00 0.00 H new ATOM 0 HG3 LYS B 42 26.404 1.440 -34.244 1.00 0.00 H new ATOM 0 HD2 LYS B 42 24.183 0.344 -34.391 1.00 0.00 H new ATOM 0 HD3 LYS B 42 24.287 0.314 -36.140 1.00 0.00 H new ATOM 0 HE2 LYS B 42 26.398 -1.098 -34.514 1.00 0.00 H new ATOM 0 HE3 LYS B 42 24.826 -1.844 -34.723 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 26.351 -2.522 -36.424 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 25.072 -1.633 -37.101 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 26.595 -0.910 -36.898 1.00 0.00 H new ATOM 863 N LEU B 43 24.403 5.683 -34.572 1.00 0.00 N ATOM 864 CA LEU B 43 23.595 6.969 -34.765 1.00 0.00 C ATOM 865 C LEU B 43 24.546 8.214 -34.962 1.00 0.00 C ATOM 866 O LEU B 43 24.411 8.944 -35.977 1.00 0.00 O ATOM 867 CB LEU B 43 22.708 7.270 -33.516 1.00 0.00 C ATOM 868 CG LEU B 43 22.015 8.658 -33.364 1.00 0.00 C ATOM 869 CD1 LEU B 43 20.731 8.422 -32.538 1.00 0.00 C ATOM 870 CD2 LEU B 43 22.824 9.735 -32.654 1.00 0.00 C ATOM 0 H LEU B 43 24.259 5.223 -33.673 1.00 0.00 H new ATOM 0 HA LEU B 43 22.976 6.813 -35.648 1.00 0.00 H new ATOM 0 HB2 LEU B 43 21.925 6.512 -33.485 1.00 0.00 H new ATOM 0 HB3 LEU B 43 23.330 7.121 -32.634 1.00 0.00 H new ATOM 0 HG LEU B 43 21.853 9.034 -34.374 1.00 0.00 H new ATOM 0 HD11 LEU B 43 20.206 9.368 -32.403 1.00 0.00 H new ATOM 0 HD12 LEU B 43 20.084 7.720 -33.064 1.00 0.00 H new ATOM 0 HD13 LEU B 43 20.996 8.011 -31.564 1.00 0.00 H new ATOM 0 HD21 LEU B 43 22.242 10.655 -32.607 1.00 0.00 H new ATOM 0 HD22 LEU B 43 23.062 9.404 -31.643 1.00 0.00 H new ATOM 0 HD23 LEU B 43 23.748 9.917 -33.203 1.00 0.00 H new ATOM 882 N MET B 44 25.627 8.293 -34.140 1.00 0.00 N ATOM 883 CA MET B 44 26.559 9.396 -34.392 1.00 0.00 C ATOM 884 C MET B 44 27.161 9.394 -35.785 1.00 0.00 C ATOM 885 O MET B 44 27.176 10.453 -36.445 1.00 0.00 O ATOM 886 CB MET B 44 27.608 9.366 -33.236 1.00 0.00 C ATOM 887 CG MET B 44 27.119 9.878 -31.865 1.00 0.00 C ATOM 888 SD MET B 44 28.444 10.199 -30.654 1.00 0.00 S ATOM 889 CE MET B 44 28.686 8.501 -30.013 1.00 0.00 C ATOM 0 H MET B 44 25.853 7.664 -33.369 1.00 0.00 H new ATOM 0 HA MET B 44 26.027 10.347 -34.385 1.00 0.00 H new ATOM 0 HB2 MET B 44 27.957 8.340 -33.115 1.00 0.00 H new ATOM 0 HB3 MET B 44 28.469 9.962 -33.538 1.00 0.00 H new ATOM 0 HG2 MET B 44 26.554 10.797 -32.017 1.00 0.00 H new ATOM 0 HG3 MET B 44 26.430 9.146 -31.444 1.00 0.00 H new ATOM 0 HE1 MET B 44 29.468 8.507 -29.254 1.00 0.00 H new ATOM 0 HE2 MET B 44 27.756 8.142 -29.573 1.00 0.00 H new ATOM 0 HE3 MET B 44 28.978 7.842 -30.830 1.00 0.00 H new ATOM 899 N LYS B 45 27.573 8.227 -36.305 1.00 0.00 N ATOM 900 CA LYS B 45 28.207 8.067 -37.686 1.00 0.00 C ATOM 901 C LYS B 45 27.207 8.353 -38.784 1.00 0.00 C ATOM 902 O LYS B 45 27.417 9.062 -39.748 1.00 0.00 O ATOM 903 CB LYS B 45 28.914 6.623 -37.880 1.00 0.00 C ATOM 904 CG LYS B 45 30.210 6.593 -37.208 1.00 0.00 C ATOM 905 CD LYS B 45 31.029 5.258 -37.453 1.00 0.00 C ATOM 906 CE LYS B 45 30.361 4.140 -36.694 1.00 0.00 C ATOM 907 NZ LYS B 45 31.401 3.066 -36.464 1.00 0.00 N ATOM 0 H LYS B 45 27.489 7.344 -35.801 1.00 0.00 H new ATOM 0 HA LYS B 45 29.002 8.810 -37.758 1.00 0.00 H new ATOM 0 HB2 LYS B 45 28.271 5.840 -37.478 1.00 0.00 H new ATOM 0 HB3 LYS B 45 29.044 6.415 -38.942 1.00 0.00 H new ATOM 0 HG2 LYS B 45 30.805 7.440 -37.549 1.00 0.00 H new ATOM 0 HG3 LYS B 45 30.056 6.722 -36.137 1.00 0.00 H new ATOM 0 HD2 LYS B 45 31.064 5.025 -38.517 1.00 0.00 H new ATOM 0 HD3 LYS B 45 32.060 5.379 -37.119 1.00 0.00 H new ATOM 0 HE2 LYS B 45 29.967 4.502 -35.745 1.00 0.00 H new ATOM 0 HE3 LYS B 45 29.517 3.743 -37.259 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 30.974 2.275 -35.941 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 31.755 2.724 -37.380 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 32.190 3.459 -35.913 1.00 0.00 H new ATOM 921 N ALA B 46 25.987 7.847 -38.638 1.00 0.00 N ATOM 922 CA ALA B 46 24.872 8.024 -39.634 1.00 0.00 C ATOM 923 C ALA B 46 24.638 9.535 -39.967 1.00 0.00 C ATOM 924 O ALA B 46 24.827 9.880 -41.103 1.00 0.00 O ATOM 925 CB ALA B 46 23.592 7.329 -39.017 1.00 0.00 C ATOM 0 H ALA B 46 25.715 7.293 -37.826 1.00 0.00 H new ATOM 0 HA ALA B 46 25.120 7.559 -40.588 1.00 0.00 H new ATOM 0 HB1 ALA B 46 22.754 7.432 -39.707 1.00 0.00 H new ATOM 0 HB2 ALA B 46 23.797 6.271 -38.850 1.00 0.00 H new ATOM 0 HB3 ALA B 46 23.342 7.804 -38.068 1.00 0.00 H new ATOM 931 N TYR B 47 24.421 10.340 -38.933 1.00 0.00 N ATOM 932 CA TYR B 47 24.310 11.774 -39.014 1.00 0.00 C ATOM 933 C TYR B 47 25.635 12.450 -39.649 1.00 0.00 C ATOM 934 O TYR B 47 25.525 13.408 -40.506 1.00 0.00 O ATOM 935 CB TYR B 47 24.088 12.257 -37.530 1.00 0.00 C ATOM 936 CG TYR B 47 23.879 13.729 -37.472 1.00 0.00 C ATOM 937 CD1 TYR B 47 24.972 14.668 -37.430 1.00 0.00 C ATOM 938 CD2 TYR B 47 22.542 14.169 -37.513 1.00 0.00 C ATOM 939 CE1 TYR B 47 24.718 16.008 -37.470 1.00 0.00 C ATOM 940 CE2 TYR B 47 22.281 15.558 -37.478 1.00 0.00 C ATOM 941 CZ TYR B 47 23.362 16.416 -37.523 1.00 0.00 C ATOM 942 OH TYR B 47 23.061 17.722 -37.415 1.00 0.00 O ATOM 0 H TYR B 47 24.315 9.988 -37.982 1.00 0.00 H new ATOM 0 HA TYR B 47 23.491 12.068 -39.670 1.00 0.00 H new ATOM 0 HB2 TYR B 47 23.224 11.747 -37.103 1.00 0.00 H new ATOM 0 HB3 TYR B 47 24.951 11.985 -36.923 1.00 0.00 H new ATOM 0 HD1 TYR B 47 25.990 14.312 -37.367 1.00 0.00 H new ATOM 0 HD2 TYR B 47 21.731 13.458 -37.570 1.00 0.00 H new ATOM 0 HE1 TYR B 47 25.520 16.731 -37.462 1.00 0.00 H new ATOM 0 HE2 TYR B 47 21.271 15.935 -37.418 1.00 0.00 H new ATOM 0 HH TYR B 47 22.090 17.840 -37.471 1.00 0.00 H new ATOM 952 N CYS B 48 26.782 12.056 -39.086 1.00 0.00 N ATOM 953 CA CYS B 48 28.076 12.524 -39.592 1.00 0.00 C ATOM 954 C CYS B 48 28.268 12.338 -41.110 1.00 0.00 C ATOM 955 O CYS B 48 28.900 13.146 -41.753 1.00 0.00 O ATOM 956 CB CYS B 48 29.147 11.720 -38.835 1.00 0.00 C ATOM 957 SG CYS B 48 30.681 12.718 -38.762 1.00 0.00 S ATOM 0 H CYS B 48 26.841 11.422 -38.289 1.00 0.00 H new ATOM 0 HA CYS B 48 28.145 13.599 -39.427 1.00 0.00 H new ATOM 0 HB2 CYS B 48 28.801 11.483 -37.829 1.00 0.00 H new ATOM 0 HB3 CYS B 48 29.336 10.772 -39.339 1.00 0.00 H new ATOM 0 HG CYS B 48 31.310 12.631 -39.897 1.00 0.00 H new ATOM 963 N GLU B 49 27.745 11.256 -41.660 1.00 0.00 N ATOM 964 CA GLU B 49 27.861 10.883 -43.091 1.00 0.00 C ATOM 965 C GLU B 49 26.980 11.775 -43.937 1.00 0.00 C ATOM 966 O GLU B 49 27.453 12.291 -44.948 1.00 0.00 O ATOM 967 CB GLU B 49 27.595 9.367 -43.389 1.00 0.00 C ATOM 968 CG GLU B 49 28.687 8.374 -42.849 1.00 0.00 C ATOM 969 CD GLU B 49 29.910 8.297 -43.818 1.00 0.00 C ATOM 970 OE1 GLU B 49 30.242 9.283 -44.539 1.00 0.00 O ATOM 971 OE2 GLU B 49 30.600 7.274 -43.853 1.00 0.00 O ATOM 0 H GLU B 49 27.207 10.579 -41.119 1.00 0.00 H new ATOM 0 HA GLU B 49 28.905 11.041 -43.362 1.00 0.00 H new ATOM 0 HB2 GLU B 49 26.633 9.092 -42.957 1.00 0.00 H new ATOM 0 HB3 GLU B 49 27.510 9.235 -44.468 1.00 0.00 H new ATOM 0 HG2 GLU B 49 29.021 8.698 -41.863 1.00 0.00 H new ATOM 0 HG3 GLU B 49 28.252 7.382 -42.729 1.00 0.00 H new ATOM 978 N ARG B 50 25.744 12.012 -43.441 1.00 0.00 N ATOM 979 CA ARG B 50 24.690 12.924 -43.962 1.00 0.00 C ATOM 980 C ARG B 50 25.260 14.307 -44.020 1.00 0.00 C ATOM 981 O ARG B 50 25.120 14.952 -45.035 1.00 0.00 O ATOM 982 CB ARG B 50 23.450 12.824 -43.093 1.00 0.00 C ATOM 983 CG ARG B 50 22.633 11.575 -43.528 1.00 0.00 C ATOM 984 CD ARG B 50 21.636 10.974 -42.487 1.00 0.00 C ATOM 985 NE ARG B 50 20.730 9.948 -42.975 1.00 0.00 N ATOM 986 CZ ARG B 50 19.556 10.199 -43.512 1.00 0.00 C ATOM 987 NH1 ARG B 50 18.810 11.296 -43.477 1.00 0.00 N ATOM 988 NH2 ARG B 50 19.005 9.334 -44.182 1.00 0.00 N ATOM 0 H ARG B 50 25.429 11.533 -42.597 1.00 0.00 H new ATOM 0 HA ARG B 50 24.380 12.645 -44.969 1.00 0.00 H new ATOM 0 HB2 ARG B 50 23.731 12.744 -42.043 1.00 0.00 H new ATOM 0 HB3 ARG B 50 22.845 13.725 -43.194 1.00 0.00 H new ATOM 0 HG2 ARG B 50 22.069 11.836 -44.424 1.00 0.00 H new ATOM 0 HG3 ARG B 50 23.337 10.793 -43.811 1.00 0.00 H new ATOM 0 HD2 ARG B 50 22.214 10.555 -41.663 1.00 0.00 H new ATOM 0 HD3 ARG B 50 21.040 11.789 -42.076 1.00 0.00 H new ATOM 0 HE ARG B 50 21.022 8.974 -42.896 1.00 0.00 H new ATOM 0 HH11 ARG B 50 19.136 12.119 -42.970 1.00 0.00 H new ATOM 0 HH12 ARG B 50 17.910 11.317 -43.957 1.00 0.00 H new ATOM 0 HH21 ARG B 50 19.457 8.430 -44.319 1.00 0.00 H new ATOM 0 HH22 ARG B 50 18.094 9.518 -44.603 1.00 0.00 H new ATOM 1002 N GLN B 51 25.983 14.810 -43.002 1.00 0.00 N ATOM 1003 CA GLN B 51 26.752 16.044 -43.017 1.00 0.00 C ATOM 1004 C GLN B 51 28.009 15.937 -43.868 1.00 0.00 C ATOM 1005 O GLN B 51 28.515 16.979 -44.327 1.00 0.00 O ATOM 1006 CB GLN B 51 27.187 16.331 -41.576 1.00 0.00 C ATOM 1007 CG GLN B 51 26.213 16.753 -40.488 1.00 0.00 C ATOM 1008 CD GLN B 51 25.405 18.004 -40.815 1.00 0.00 C ATOM 1009 OE1 GLN B 51 25.865 18.874 -41.579 1.00 0.00 O ATOM 1010 NE2 GLN B 51 24.207 18.280 -40.335 1.00 0.00 N ATOM 0 H GLN B 51 26.042 14.331 -42.103 1.00 0.00 H new ATOM 0 HA GLN B 51 26.127 16.831 -43.438 1.00 0.00 H new ATOM 0 HB2 GLN B 51 27.682 15.429 -41.216 1.00 0.00 H new ATOM 0 HB3 GLN B 51 27.947 17.111 -41.631 1.00 0.00 H new ATOM 0 HG2 GLN B 51 25.524 15.931 -40.295 1.00 0.00 H new ATOM 0 HG3 GLN B 51 26.769 16.925 -39.567 1.00 0.00 H new ATOM 0 HE21 GLN B 51 23.749 17.626 -39.700 1.00 0.00 H new ATOM 0 HE22 GLN B 51 23.739 19.147 -40.599 1.00 0.00 H new ATOM 1019 N GLY B 52 28.561 14.798 -44.282 1.00 0.00 N ATOM 1020 CA GLY B 52 29.777 14.722 -45.171 1.00 0.00 C ATOM 1021 C GLY B 52 31.123 15.083 -44.385 1.00 0.00 C ATOM 1022 O GLY B 52 31.995 15.771 -44.870 1.00 0.00 O ATOM 0 H GLY B 52 28.194 13.882 -44.023 1.00 0.00 H new ATOM 0 HA2 GLY B 52 29.859 13.718 -45.587 1.00 0.00 H new ATOM 0 HA3 GLY B 52 29.654 15.406 -46.011 1.00 0.00 H new ATOM 1026 N LEU B 53 31.173 14.605 -43.142 1.00 0.00 N ATOM 1027 CA LEU B 53 32.245 14.914 -42.157 1.00 0.00 C ATOM 1028 C LEU B 53 32.924 13.714 -41.541 1.00 0.00 C ATOM 1029 O LEU B 53 32.240 12.684 -41.461 1.00 0.00 O ATOM 1030 CB LEU B 53 31.886 15.874 -41.058 1.00 0.00 C ATOM 1031 CG LEU B 53 31.069 17.106 -41.418 1.00 0.00 C ATOM 1032 CD1 LEU B 53 30.733 17.856 -40.100 1.00 0.00 C ATOM 1033 CD2 LEU B 53 31.891 18.021 -42.352 1.00 0.00 C ATOM 0 H LEU B 53 30.460 13.977 -42.770 1.00 0.00 H new ATOM 0 HA LEU B 53 32.951 15.417 -42.818 1.00 0.00 H new ATOM 0 HB2 LEU B 53 31.335 15.319 -40.298 1.00 0.00 H new ATOM 0 HB3 LEU B 53 32.813 16.213 -40.596 1.00 0.00 H new ATOM 0 HG LEU B 53 30.152 16.821 -41.934 1.00 0.00 H new ATOM 0 HD11 LEU B 53 30.146 18.746 -40.327 1.00 0.00 H new ATOM 0 HD12 LEU B 53 30.159 17.201 -39.445 1.00 0.00 H new ATOM 0 HD13 LEU B 53 31.657 18.148 -39.602 1.00 0.00 H new ATOM 0 HD21 LEU B 53 31.303 18.902 -42.608 1.00 0.00 H new ATOM 0 HD22 LEU B 53 32.806 18.330 -41.846 1.00 0.00 H new ATOM 0 HD23 LEU B 53 32.145 17.478 -43.262 1.00 0.00 H new ATOM 1045 N SER B 54 34.114 13.952 -40.944 1.00 0.00 N ATOM 1046 CA SER B 54 34.781 13.008 -40.016 1.00 0.00 C ATOM 1047 C SER B 54 34.201 13.212 -38.616 1.00 0.00 C ATOM 1048 O SER B 54 33.998 14.405 -38.299 1.00 0.00 O ATOM 1049 CB SER B 54 36.290 13.192 -40.080 1.00 0.00 C ATOM 1050 OG SER B 54 36.719 12.175 -39.179 1.00 0.00 O ATOM 0 H SER B 54 34.643 14.811 -41.093 1.00 0.00 H new ATOM 0 HA SER B 54 34.592 11.974 -40.303 1.00 0.00 H new ATOM 0 HB2 SER B 54 36.682 13.045 -41.086 1.00 0.00 H new ATOM 0 HB3 SER B 54 36.599 14.187 -39.759 1.00 0.00 H new ATOM 0 HG SER B 54 37.697 12.179 -39.123 1.00 0.00 H new ATOM 1056 N MET B 55 33.881 12.149 -37.823 1.00 0.00 N ATOM 1057 CA MET B 55 33.449 12.259 -36.454 1.00 0.00 C ATOM 1058 C MET B 55 34.443 12.988 -35.513 1.00 0.00 C ATOM 1059 O MET B 55 34.071 13.533 -34.486 1.00 0.00 O ATOM 1060 CB MET B 55 33.181 10.910 -35.810 1.00 0.00 C ATOM 1061 CG MET B 55 32.658 10.955 -34.325 1.00 0.00 C ATOM 1062 SD MET B 55 31.494 9.583 -34.032 1.00 0.00 S ATOM 1063 CE MET B 55 32.572 8.135 -34.213 1.00 0.00 C ATOM 0 H MET B 55 33.927 11.185 -38.152 1.00 0.00 H new ATOM 0 HA MET B 55 32.537 12.849 -36.549 1.00 0.00 H new ATOM 0 HB2 MET B 55 32.450 10.377 -36.417 1.00 0.00 H new ATOM 0 HB3 MET B 55 34.102 10.327 -35.834 1.00 0.00 H new ATOM 0 HG2 MET B 55 33.497 10.885 -33.633 1.00 0.00 H new ATOM 0 HG3 MET B 55 32.165 11.908 -34.133 1.00 0.00 H new ATOM 0 HE1 MET B 55 31.998 7.228 -34.024 1.00 0.00 H new ATOM 0 HE2 MET B 55 32.975 8.105 -35.226 1.00 0.00 H new ATOM 0 HE3 MET B 55 33.392 8.200 -33.498 1.00 0.00 H new ATOM 1073 N ARG B 56 35.702 13.054 -35.923 1.00 0.00 N ATOM 1074 CA ARG B 56 36.757 13.853 -35.372 1.00 0.00 C ATOM 1075 C ARG B 56 36.426 15.385 -35.286 1.00 0.00 C ATOM 1076 O ARG B 56 36.755 16.016 -34.322 1.00 0.00 O ATOM 1077 CB ARG B 56 37.993 13.527 -36.231 1.00 0.00 C ATOM 1078 CG ARG B 56 39.186 14.261 -35.839 1.00 0.00 C ATOM 1079 CD ARG B 56 39.681 14.075 -34.461 1.00 0.00 C ATOM 1080 NE ARG B 56 40.962 14.788 -34.198 1.00 0.00 N ATOM 1081 CZ ARG B 56 41.890 14.474 -33.319 1.00 0.00 C ATOM 1082 NH1 ARG B 56 41.687 13.349 -32.591 1.00 0.00 N ATOM 1083 NH2 ARG B 56 42.896 15.226 -33.169 1.00 0.00 N ATOM 0 H ARG B 56 36.025 12.499 -36.716 1.00 0.00 H new ATOM 0 HA ARG B 56 36.927 13.608 -34.324 1.00 0.00 H new ATOM 0 HB2 ARG B 56 38.197 12.458 -36.168 1.00 0.00 H new ATOM 0 HB3 ARG B 56 37.768 13.747 -37.275 1.00 0.00 H new ATOM 0 HG2 ARG B 56 39.989 13.988 -36.524 1.00 0.00 H new ATOM 0 HG3 ARG B 56 38.990 15.323 -35.985 1.00 0.00 H new ATOM 0 HD2 ARG B 56 38.925 14.428 -33.759 1.00 0.00 H new ATOM 0 HD3 ARG B 56 39.819 13.010 -34.272 1.00 0.00 H new ATOM 0 HE ARG B 56 41.141 15.616 -34.765 1.00 0.00 H new ATOM 0 HH11 ARG B 56 40.846 12.791 -32.738 1.00 0.00 H new ATOM 0 HH12 ARG B 56 42.375 13.060 -31.896 1.00 0.00 H new ATOM 0 HH21 ARG B 56 42.987 16.074 -33.729 1.00 0.00 H new ATOM 0 HH22 ARG B 56 43.616 14.985 -32.488 1.00 0.00 H new ATOM 1097 N GLN B 57 35.713 15.970 -36.291 1.00 0.00 N ATOM 1098 CA GLN B 57 35.365 17.405 -36.224 1.00 0.00 C ATOM 1099 C GLN B 57 34.261 17.835 -35.283 1.00 0.00 C ATOM 1100 O GLN B 57 34.361 18.894 -34.654 1.00 0.00 O ATOM 1101 CB GLN B 57 34.932 17.772 -37.690 1.00 0.00 C ATOM 1102 CG GLN B 57 34.523 19.200 -37.851 1.00 0.00 C ATOM 1103 CD GLN B 57 34.423 19.568 -39.353 1.00 0.00 C ATOM 1104 OE1 GLN B 57 35.205 19.051 -40.208 1.00 0.00 O ATOM 1105 NE2 GLN B 57 33.597 20.502 -39.787 1.00 0.00 N ATOM 0 H GLN B 57 35.382 15.485 -37.125 1.00 0.00 H new ATOM 0 HA GLN B 57 36.238 17.919 -35.820 1.00 0.00 H new ATOM 0 HB2 GLN B 57 35.759 17.560 -38.368 1.00 0.00 H new ATOM 0 HB3 GLN B 57 34.103 17.129 -37.987 1.00 0.00 H new ATOM 0 HG2 GLN B 57 33.562 19.367 -37.365 1.00 0.00 H new ATOM 0 HG3 GLN B 57 35.246 19.850 -37.358 1.00 0.00 H new ATOM 0 HE21 GLN B 57 32.948 20.949 -39.140 1.00 0.00 H new ATOM 0 HE22 GLN B 57 33.608 20.776 -40.769 1.00 0.00 H new ATOM 1114 N ILE B 58 33.213 17.022 -35.225 1.00 0.00 N ATOM 1115 CA ILE B 58 32.050 17.303 -34.342 1.00 0.00 C ATOM 1116 C ILE B 58 31.952 16.545 -33.002 1.00 0.00 C ATOM 1117 O ILE B 58 32.701 15.612 -32.742 1.00 0.00 O ATOM 1118 CB ILE B 58 30.734 17.141 -35.183 1.00 0.00 C ATOM 1119 CG1 ILE B 58 30.608 15.607 -35.580 1.00 0.00 C ATOM 1120 CG2 ILE B 58 30.619 18.013 -36.397 1.00 0.00 C ATOM 1121 CD1 ILE B 58 29.440 15.296 -36.436 1.00 0.00 C ATOM 0 H ILE B 58 33.129 16.163 -35.769 1.00 0.00 H new ATOM 0 HA ILE B 58 32.206 18.327 -34.001 1.00 0.00 H new ATOM 0 HB ILE B 58 29.912 17.479 -34.552 1.00 0.00 H new ATOM 0 HG12 ILE B 58 31.516 15.302 -36.099 1.00 0.00 H new ATOM 0 HG13 ILE B 58 30.546 15.011 -34.669 1.00 0.00 H new ATOM 0 HG21 ILE B 58 29.672 17.815 -36.898 1.00 0.00 H new ATOM 0 HG22 ILE B 58 30.660 19.060 -36.098 1.00 0.00 H new ATOM 0 HG23 ILE B 58 31.442 17.798 -37.079 1.00 0.00 H new ATOM 0 HD11 ILE B 58 29.428 14.230 -36.661 1.00 0.00 H new ATOM 0 HD12 ILE B 58 28.523 15.567 -35.913 1.00 0.00 H new ATOM 0 HD13 ILE B 58 29.509 15.862 -37.365 1.00 0.00 H new ATOM 1133 N ARG B 59 31.012 16.951 -32.188 1.00 0.00 N ATOM 1134 CA ARG B 59 30.823 16.397 -30.826 1.00 0.00 C ATOM 1135 C ARG B 59 29.326 16.236 -30.598 1.00 0.00 C ATOM 1136 O ARG B 59 28.559 17.124 -30.874 1.00 0.00 O ATOM 1137 CB ARG B 59 31.343 17.446 -29.795 1.00 0.00 C ATOM 1138 CG ARG B 59 32.906 17.807 -29.801 1.00 0.00 C ATOM 1139 CD ARG B 59 33.729 16.463 -29.572 1.00 0.00 C ATOM 1140 NE ARG B 59 35.148 16.690 -29.551 1.00 0.00 N ATOM 1141 CZ ARG B 59 35.911 16.778 -30.617 1.00 0.00 C ATOM 1142 NH1 ARG B 59 35.446 16.929 -31.779 1.00 0.00 N ATOM 1143 NH2 ARG B 59 37.184 16.719 -30.475 1.00 0.00 N ATOM 0 H ARG B 59 30.340 17.679 -32.431 1.00 0.00 H new ATOM 0 HA ARG B 59 31.350 15.449 -30.717 1.00 0.00 H new ATOM 0 HB2 ARG B 59 30.788 18.371 -29.952 1.00 0.00 H new ATOM 0 HB3 ARG B 59 31.088 17.087 -28.798 1.00 0.00 H new ATOM 0 HG2 ARG B 59 33.186 18.267 -30.749 1.00 0.00 H new ATOM 0 HG3 ARG B 59 33.132 18.529 -29.017 1.00 0.00 H new ATOM 0 HD2 ARG B 59 33.422 16.007 -28.631 1.00 0.00 H new ATOM 0 HD3 ARG B 59 33.488 15.753 -30.363 1.00 0.00 H new ATOM 0 HE ARG B 59 35.596 16.790 -28.640 1.00 0.00 H new ATOM 0 HH11 ARG B 59 34.438 16.988 -31.921 1.00 0.00 H new ATOM 0 HH12 ARG B 59 36.078 16.992 -32.577 1.00 0.00 H new ATOM 0 HH21 ARG B 59 37.589 16.605 -29.546 1.00 0.00 H new ATOM 0 HH22 ARG B 59 37.792 16.786 -31.291 1.00 0.00 H new ATOM 1157 N PHE B 60 28.792 15.085 -30.144 1.00 0.00 N ATOM 1158 CA PHE B 60 27.433 14.804 -29.759 1.00 0.00 C ATOM 1159 C PHE B 60 27.279 14.899 -28.237 1.00 0.00 C ATOM 1160 O PHE B 60 28.281 14.797 -27.532 1.00 0.00 O ATOM 1161 CB PHE B 60 26.991 13.483 -30.416 1.00 0.00 C ATOM 1162 CG PHE B 60 27.052 13.331 -31.905 1.00 0.00 C ATOM 1163 CD1 PHE B 60 28.283 13.073 -32.477 1.00 0.00 C ATOM 1164 CD2 PHE B 60 25.922 13.420 -32.751 1.00 0.00 C ATOM 1165 CE1 PHE B 60 28.459 12.901 -33.874 1.00 0.00 C ATOM 1166 CE2 PHE B 60 26.065 13.283 -34.150 1.00 0.00 C ATOM 1167 CZ PHE B 60 27.298 12.987 -34.690 1.00 0.00 C ATOM 0 H PHE B 60 29.379 14.258 -30.034 1.00 0.00 H new ATOM 0 HA PHE B 60 26.737 15.555 -30.133 1.00 0.00 H new ATOM 0 HB2 PHE B 60 27.597 12.687 -29.984 1.00 0.00 H new ATOM 0 HB3 PHE B 60 25.960 13.299 -30.113 1.00 0.00 H new ATOM 0 HD1 PHE B 60 29.147 12.999 -31.834 1.00 0.00 H new ATOM 0 HD2 PHE B 60 24.945 13.594 -32.325 1.00 0.00 H new ATOM 0 HE1 PHE B 60 29.434 12.713 -34.300 1.00 0.00 H new ATOM 0 HE2 PHE B 60 25.209 13.410 -34.796 1.00 0.00 H new ATOM 0 HZ PHE B 60 27.384 12.817 -35.753 1.00 0.00 H new ATOM 1177 N ARG B 61 26.075 15.285 -27.711 1.00 0.00 N ATOM 1178 CA ARG B 61 25.894 15.927 -26.394 1.00 0.00 C ATOM 1179 C ARG B 61 24.520 15.596 -25.863 1.00 0.00 C ATOM 1180 O ARG B 61 23.541 15.603 -26.634 1.00 0.00 O ATOM 1181 CB ARG B 61 26.032 17.417 -26.384 1.00 0.00 C ATOM 1182 CG ARG B 61 27.511 17.749 -26.653 1.00 0.00 C ATOM 1183 CD ARG B 61 27.719 19.167 -26.218 1.00 0.00 C ATOM 1184 NE ARG B 61 28.996 19.723 -26.724 1.00 0.00 N ATOM 1185 CZ ARG B 61 29.433 20.934 -26.504 1.00 0.00 C ATOM 1186 NH1 ARG B 61 28.667 21.821 -25.925 1.00 0.00 N ATOM 1187 NH2 ARG B 61 30.559 21.265 -26.930 1.00 0.00 N ATOM 0 H ARG B 61 25.195 15.150 -28.210 1.00 0.00 H new ATOM 0 HA ARG B 61 26.700 15.531 -25.776 1.00 0.00 H new ATOM 0 HB2 ARG B 61 25.394 17.866 -27.145 1.00 0.00 H new ATOM 0 HB3 ARG B 61 25.717 17.824 -25.423 1.00 0.00 H new ATOM 0 HG2 ARG B 61 28.166 17.075 -26.101 1.00 0.00 H new ATOM 0 HG3 ARG B 61 27.749 17.630 -27.710 1.00 0.00 H new ATOM 0 HD2 ARG B 61 26.891 19.780 -26.574 1.00 0.00 H new ATOM 0 HD3 ARG B 61 27.708 19.217 -25.129 1.00 0.00 H new ATOM 0 HE ARG B 61 29.582 19.110 -27.291 1.00 0.00 H new ATOM 0 HH11 ARG B 61 27.720 21.570 -25.641 1.00 0.00 H new ATOM 0 HH12 ARG B 61 29.016 22.764 -25.757 1.00 0.00 H new ATOM 0 HH21 ARG B 61 31.128 20.592 -27.444 1.00 0.00 H new ATOM 0 HH22 ARG B 61 30.910 22.208 -26.764 1.00 0.00 H new ATOM 1201 N PHE B 62 24.388 15.287 -24.639 1.00 0.00 N ATOM 1202 CA PHE B 62 23.105 15.022 -23.952 1.00 0.00 C ATOM 1203 C PHE B 62 23.142 15.622 -22.532 1.00 0.00 C ATOM 1204 O PHE B 62 24.151 15.425 -21.803 1.00 0.00 O ATOM 1205 CB PHE B 62 22.973 13.528 -23.990 1.00 0.00 C ATOM 1206 CG PHE B 62 21.720 13.078 -23.217 1.00 0.00 C ATOM 1207 CD1 PHE B 62 20.488 13.690 -23.479 1.00 0.00 C ATOM 1208 CD2 PHE B 62 21.750 11.984 -22.294 1.00 0.00 C ATOM 1209 CE1 PHE B 62 19.327 13.160 -22.855 1.00 0.00 C ATOM 1210 CE2 PHE B 62 20.564 11.584 -21.614 1.00 0.00 C ATOM 1211 CZ PHE B 62 19.328 12.161 -21.871 1.00 0.00 C ATOM 0 H PHE B 62 25.191 15.196 -24.016 1.00 0.00 H new ATOM 0 HA PHE B 62 22.235 15.485 -24.419 1.00 0.00 H new ATOM 0 HB2 PHE B 62 22.911 13.189 -25.024 1.00 0.00 H new ATOM 0 HB3 PHE B 62 23.860 13.067 -23.556 1.00 0.00 H new ATOM 0 HD1 PHE B 62 20.422 14.543 -24.138 1.00 0.00 H new ATOM 0 HD2 PHE B 62 22.676 11.459 -22.112 1.00 0.00 H new ATOM 0 HE1 PHE B 62 18.371 13.557 -23.162 1.00 0.00 H new ATOM 0 HE2 PHE B 62 20.629 10.803 -20.871 1.00 0.00 H new ATOM 0 HZ PHE B 62 18.431 11.862 -21.350 1.00 0.00 H new ATOM 1221 N ASP B 63 22.143 16.384 -22.135 1.00 0.00 N ATOM 1222 CA ASP B 63 22.148 17.318 -21.109 1.00 0.00 C ATOM 1223 C ASP B 63 23.484 18.059 -20.882 1.00 0.00 C ATOM 1224 O ASP B 63 24.165 17.853 -19.867 1.00 0.00 O ATOM 1225 CB ASP B 63 21.641 16.741 -19.796 1.00 0.00 C ATOM 1226 CG ASP B 63 21.279 17.748 -18.760 1.00 0.00 C ATOM 1227 OD1 ASP B 63 21.049 18.940 -19.129 1.00 0.00 O ATOM 1228 OD2 ASP B 63 21.158 17.368 -17.553 1.00 0.00 O ATOM 0 H ASP B 63 21.232 16.333 -22.591 1.00 0.00 H new ATOM 0 HA ASP B 63 21.450 18.075 -21.467 1.00 0.00 H new ATOM 0 HB2 ASP B 63 20.766 16.124 -20.002 1.00 0.00 H new ATOM 0 HB3 ASP B 63 22.407 16.082 -19.387 1.00 0.00 H new ATOM 1233 N GLY B 64 23.965 18.750 -21.876 1.00 0.00 N ATOM 1234 CA GLY B 64 25.152 19.557 -21.931 1.00 0.00 C ATOM 1235 C GLY B 64 26.422 18.668 -21.927 1.00 0.00 C ATOM 1236 O GLY B 64 27.469 19.168 -22.325 1.00 0.00 O ATOM 0 H GLY B 64 23.477 18.762 -22.772 1.00 0.00 H new ATOM 0 HA2 GLY B 64 25.137 20.173 -22.830 1.00 0.00 H new ATOM 0 HA3 GLY B 64 25.175 20.236 -21.079 1.00 0.00 H new ATOM 1240 N GLN B 65 26.400 17.431 -21.527 1.00 0.00 N ATOM 1241 CA GLN B 65 27.624 16.604 -21.453 1.00 0.00 C ATOM 1242 C GLN B 65 27.944 15.889 -22.742 1.00 0.00 C ATOM 1243 O GLN B 65 26.975 15.499 -23.418 1.00 0.00 O ATOM 1244 CB GLN B 65 27.534 15.593 -20.268 1.00 0.00 C ATOM 1245 CG GLN B 65 27.456 16.186 -18.869 1.00 0.00 C ATOM 1246 CD GLN B 65 28.606 17.076 -18.370 1.00 0.00 C ATOM 1247 OE1 GLN B 65 28.540 18.296 -18.394 1.00 0.00 O ATOM 1248 NE2 GLN B 65 29.775 16.632 -18.067 1.00 0.00 N ATOM 0 H GLN B 65 25.551 16.945 -21.239 1.00 0.00 H new ATOM 0 HA GLN B 65 28.449 17.294 -21.275 1.00 0.00 H new ATOM 0 HB2 GLN B 65 26.656 14.966 -20.421 1.00 0.00 H new ATOM 0 HB3 GLN B 65 28.404 14.938 -20.312 1.00 0.00 H new ATOM 0 HG2 GLN B 65 26.538 16.771 -18.811 1.00 0.00 H new ATOM 0 HG3 GLN B 65 27.352 15.359 -18.167 1.00 0.00 H new ATOM 0 HE21 GLN B 65 29.942 15.627 -18.018 1.00 0.00 H new ATOM 0 HE22 GLN B 65 30.535 17.285 -17.875 1.00 0.00 H new ATOM 1257 N PRO B 66 29.202 15.629 -23.106 1.00 0.00 N ATOM 1258 CA PRO B 66 29.503 14.898 -24.366 1.00 0.00 C ATOM 1259 C PRO B 66 29.172 13.378 -24.280 1.00 0.00 C ATOM 1260 O PRO B 66 29.135 12.754 -23.213 1.00 0.00 O ATOM 1261 CB PRO B 66 30.972 15.292 -24.576 1.00 0.00 C ATOM 1262 CG PRO B 66 31.552 15.477 -23.181 1.00 0.00 C ATOM 1263 CD PRO B 66 30.368 15.820 -22.292 1.00 0.00 C ATOM 0 HA PRO B 66 28.891 15.155 -25.231 1.00 0.00 H new ATOM 0 HB2 PRO B 66 31.510 14.519 -25.124 1.00 0.00 H new ATOM 0 HB3 PRO B 66 31.052 16.210 -25.158 1.00 0.00 H new ATOM 0 HG2 PRO B 66 32.050 14.569 -22.839 1.00 0.00 H new ATOM 0 HG3 PRO B 66 32.296 16.273 -23.168 1.00 0.00 H new ATOM 0 HD2 PRO B 66 30.340 15.178 -21.412 1.00 0.00 H new ATOM 0 HD3 PRO B 66 30.432 16.848 -21.935 1.00 0.00 H new ATOM 1271 N ILE B 67 28.830 12.802 -25.464 1.00 0.00 N ATOM 1272 CA ILE B 67 28.625 11.360 -25.625 1.00 0.00 C ATOM 1273 C ILE B 67 29.894 10.620 -26.073 1.00 0.00 C ATOM 1274 O ILE B 67 30.595 11.010 -27.000 1.00 0.00 O ATOM 1275 CB ILE B 67 27.426 11.106 -26.641 1.00 0.00 C ATOM 1276 CG1 ILE B 67 26.126 11.921 -26.270 1.00 0.00 C ATOM 1277 CG2 ILE B 67 27.218 9.561 -26.854 1.00 0.00 C ATOM 1278 CD1 ILE B 67 24.911 11.590 -27.113 1.00 0.00 C ATOM 0 H ILE B 67 28.692 13.334 -26.324 1.00 0.00 H new ATOM 0 HA ILE B 67 28.371 10.951 -24.647 1.00 0.00 H new ATOM 0 HB ILE B 67 27.694 11.511 -27.617 1.00 0.00 H new ATOM 0 HG12 ILE B 67 25.886 11.739 -25.223 1.00 0.00 H new ATOM 0 HG13 ILE B 67 26.340 12.985 -26.367 1.00 0.00 H new ATOM 0 HG21 ILE B 67 26.396 9.397 -27.550 1.00 0.00 H new ATOM 0 HG22 ILE B 67 28.130 9.124 -27.260 1.00 0.00 H new ATOM 0 HG23 ILE B 67 26.984 9.090 -25.899 1.00 0.00 H new ATOM 0 HD11 ILE B 67 24.066 12.197 -26.788 1.00 0.00 H new ATOM 0 HD12 ILE B 67 25.127 11.800 -28.161 1.00 0.00 H new ATOM 0 HD13 ILE B 67 24.665 10.534 -26.998 1.00 0.00 H new ATOM 1290 N ASN B 68 30.197 9.467 -25.424 1.00 0.00 N ATOM 1291 CA ASN B 68 31.278 8.564 -25.832 1.00 0.00 C ATOM 1292 C ASN B 68 30.716 7.289 -26.442 1.00 0.00 C ATOM 1293 O ASN B 68 29.765 6.787 -25.970 1.00 0.00 O ATOM 1294 CB ASN B 68 32.135 8.237 -24.625 1.00 0.00 C ATOM 1295 CG ASN B 68 32.689 9.462 -23.912 1.00 0.00 C ATOM 1296 OD1 ASN B 68 33.714 10.036 -24.274 1.00 0.00 O ATOM 1297 ND2 ASN B 68 32.004 9.913 -22.843 1.00 0.00 N ATOM 0 H ASN B 68 29.689 9.145 -24.600 1.00 0.00 H new ATOM 0 HA ASN B 68 31.887 9.057 -26.590 1.00 0.00 H new ATOM 0 HB2 ASN B 68 31.544 7.654 -23.919 1.00 0.00 H new ATOM 0 HB3 ASN B 68 32.966 7.606 -24.942 1.00 0.00 H new ATOM 0 HD21 ASN B 68 32.336 10.732 -22.333 1.00 0.00 H new ATOM 0 HD22 ASN B 68 31.154 9.436 -22.544 1.00 0.00 H new ATOM 1304 N GLU B 69 31.475 6.869 -27.514 1.00 0.00 N ATOM 1305 CA GLU B 69 31.093 5.679 -28.298 1.00 0.00 C ATOM 1306 C GLU B 69 30.946 4.367 -27.470 1.00 0.00 C ATOM 1307 O GLU B 69 30.164 3.530 -27.908 1.00 0.00 O ATOM 1308 CB GLU B 69 32.076 5.505 -29.468 1.00 0.00 C ATOM 1309 CG GLU B 69 32.266 6.623 -30.505 1.00 0.00 C ATOM 1310 CD GLU B 69 33.618 6.355 -31.233 1.00 0.00 C ATOM 1311 OE1 GLU B 69 33.782 5.387 -32.010 1.00 0.00 O ATOM 1312 OE2 GLU B 69 34.529 7.215 -31.200 1.00 0.00 O ATOM 0 H GLU B 69 32.326 7.334 -27.832 1.00 0.00 H new ATOM 0 HA GLU B 69 30.088 5.865 -28.676 1.00 0.00 H new ATOM 0 HB2 GLU B 69 33.055 5.298 -29.036 1.00 0.00 H new ATOM 0 HB3 GLU B 69 31.772 4.611 -30.012 1.00 0.00 H new ATOM 0 HG2 GLU B 69 31.441 6.631 -31.217 1.00 0.00 H new ATOM 0 HG3 GLU B 69 32.278 7.599 -30.020 1.00 0.00 H new ATOM 1319 N THR B 70 31.405 4.223 -26.211 1.00 0.00 N ATOM 1320 CA THR B 70 31.103 3.103 -25.269 1.00 0.00 C ATOM 1321 C THR B 70 29.621 2.954 -24.810 1.00 0.00 C ATOM 1322 O THR B 70 29.276 1.934 -24.238 1.00 0.00 O ATOM 1323 CB THR B 70 31.918 3.300 -23.955 1.00 0.00 C ATOM 1324 OG1 THR B 70 31.835 4.721 -23.658 1.00 0.00 O ATOM 1325 CG2 THR B 70 33.406 2.941 -24.119 1.00 0.00 C ATOM 0 H THR B 70 32.028 4.914 -25.793 1.00 0.00 H new ATOM 0 HA THR B 70 31.360 2.215 -25.846 1.00 0.00 H new ATOM 0 HB THR B 70 31.514 2.654 -23.176 1.00 0.00 H new ATOM 0 HG1 THR B 70 30.954 4.925 -23.280 1.00 0.00 H new ATOM 0 HG21 THR B 70 33.924 3.097 -23.173 1.00 0.00 H new ATOM 0 HG22 THR B 70 33.498 1.896 -24.415 1.00 0.00 H new ATOM 0 HG23 THR B 70 33.851 3.575 -24.886 1.00 0.00 H new ATOM 1333 N ASP B 71 28.784 3.944 -25.146 1.00 0.00 N ATOM 1334 CA ASP B 71 27.478 3.971 -24.541 1.00 0.00 C ATOM 1335 C ASP B 71 26.274 3.655 -25.439 1.00 0.00 C ATOM 1336 O ASP B 71 26.288 3.702 -26.677 1.00 0.00 O ATOM 1337 CB ASP B 71 27.253 5.364 -23.899 1.00 0.00 C ATOM 1338 CG ASP B 71 28.391 5.793 -22.990 1.00 0.00 C ATOM 1339 OD1 ASP B 71 29.271 5.003 -22.609 1.00 0.00 O ATOM 1340 OD2 ASP B 71 28.318 6.900 -22.485 1.00 0.00 O ATOM 0 H ASP B 71 28.987 4.697 -25.803 1.00 0.00 H new ATOM 0 HA ASP B 71 27.505 3.152 -23.822 1.00 0.00 H new ATOM 0 HB2 ASP B 71 27.128 6.105 -24.688 1.00 0.00 H new ATOM 0 HB3 ASP B 71 26.325 5.348 -23.327 1.00 0.00 H new ATOM 1345 N THR B 72 25.173 3.409 -24.738 1.00 0.00 N ATOM 1346 CA THR B 72 23.884 3.074 -25.306 1.00 0.00 C ATOM 1347 C THR B 72 22.791 3.841 -24.619 1.00 0.00 C ATOM 1348 O THR B 72 22.957 4.336 -23.444 1.00 0.00 O ATOM 1349 CB THR B 72 23.524 1.521 -25.120 1.00 0.00 C ATOM 1350 OG1 THR B 72 23.275 1.273 -23.708 1.00 0.00 O ATOM 1351 CG2 THR B 72 24.533 0.426 -25.625 1.00 0.00 C ATOM 0 H THR B 72 25.160 3.440 -23.719 1.00 0.00 H new ATOM 0 HA THR B 72 23.952 3.321 -26.365 1.00 0.00 H new ATOM 0 HB THR B 72 22.665 1.396 -25.779 1.00 0.00 H new ATOM 0 HG1 THR B 72 23.052 0.328 -23.576 1.00 0.00 H new ATOM 0 HG21 THR B 72 24.128 -0.565 -25.418 1.00 0.00 H new ATOM 0 HG22 THR B 72 24.685 0.539 -26.698 1.00 0.00 H new ATOM 0 HG23 THR B 72 25.486 0.544 -25.109 1.00 0.00 H new ATOM 1359 N PRO B 73 21.578 3.843 -25.180 1.00 0.00 N ATOM 1360 CA PRO B 73 20.422 4.432 -24.556 1.00 0.00 C ATOM 1361 C PRO B 73 20.058 3.916 -23.149 1.00 0.00 C ATOM 1362 O PRO B 73 19.580 4.719 -22.311 1.00 0.00 O ATOM 1363 CB PRO B 73 19.195 4.274 -25.436 1.00 0.00 C ATOM 1364 CG PRO B 73 19.915 4.325 -26.811 1.00 0.00 C ATOM 1365 CD PRO B 73 21.215 3.640 -26.566 1.00 0.00 C ATOM 0 HA PRO B 73 20.718 5.474 -24.432 1.00 0.00 H new ATOM 0 HB2 PRO B 73 18.666 3.336 -25.266 1.00 0.00 H new ATOM 0 HB3 PRO B 73 18.470 5.077 -25.304 1.00 0.00 H new ATOM 0 HG2 PRO B 73 19.336 3.818 -27.583 1.00 0.00 H new ATOM 0 HG3 PRO B 73 20.062 5.352 -27.146 1.00 0.00 H new ATOM 0 HD2 PRO B 73 21.131 2.576 -26.785 1.00 0.00 H new ATOM 0 HD3 PRO B 73 21.986 4.041 -27.224 1.00 0.00 H new ATOM 1373 N ALA B 74 20.348 2.605 -22.840 1.00 0.00 N ATOM 1374 CA ALA B 74 20.234 2.130 -21.439 1.00 0.00 C ATOM 1375 C ALA B 74 21.418 2.535 -20.520 1.00 0.00 C ATOM 1376 O ALA B 74 21.117 2.638 -19.349 1.00 0.00 O ATOM 1377 CB ALA B 74 20.046 0.626 -21.389 1.00 0.00 C ATOM 0 H ALA B 74 20.647 1.900 -23.514 1.00 0.00 H new ATOM 0 HA ALA B 74 19.352 2.636 -21.046 1.00 0.00 H new ATOM 0 HB1 ALA B 74 19.965 0.304 -20.351 1.00 0.00 H new ATOM 0 HB2 ALA B 74 19.136 0.355 -21.925 1.00 0.00 H new ATOM 0 HB3 ALA B 74 20.901 0.137 -21.855 1.00 0.00 H new ATOM 1383 N GLN B 75 22.648 2.747 -21.028 1.00 0.00 N ATOM 1384 CA GLN B 75 23.697 3.383 -20.248 1.00 0.00 C ATOM 1385 C GLN B 75 23.366 4.810 -19.835 1.00 0.00 C ATOM 1386 O GLN B 75 23.917 5.297 -18.847 1.00 0.00 O ATOM 1387 CB GLN B 75 25.091 3.348 -20.866 1.00 0.00 C ATOM 1388 CG GLN B 75 26.295 3.774 -19.989 1.00 0.00 C ATOM 1389 CD GLN B 75 26.684 2.680 -18.973 1.00 0.00 C ATOM 1390 OE1 GLN B 75 25.807 2.218 -18.166 1.00 0.00 O ATOM 1391 NE2 GLN B 75 27.863 2.156 -19.050 1.00 0.00 N ATOM 0 H GLN B 75 22.927 2.484 -21.973 1.00 0.00 H new ATOM 0 HA GLN B 75 23.730 2.751 -19.360 1.00 0.00 H new ATOM 0 HB2 GLN B 75 25.276 2.331 -21.212 1.00 0.00 H new ATOM 0 HB3 GLN B 75 25.080 3.988 -21.748 1.00 0.00 H new ATOM 0 HG2 GLN B 75 27.149 3.995 -20.629 1.00 0.00 H new ATOM 0 HG3 GLN B 75 26.049 4.693 -19.457 1.00 0.00 H new ATOM 0 HE21 GLN B 75 28.550 2.538 -19.700 1.00 0.00 H new ATOM 0 HE22 GLN B 75 28.107 1.360 -18.461 1.00 0.00 H new ATOM 1400 N LEU B 76 22.715 5.702 -20.639 1.00 0.00 N ATOM 1401 CA LEU B 76 22.413 7.069 -20.341 1.00 0.00 C ATOM 1402 C LEU B 76 20.959 7.240 -19.968 1.00 0.00 C ATOM 1403 O LEU B 76 20.389 8.356 -19.903 1.00 0.00 O ATOM 1404 CB LEU B 76 22.826 7.878 -21.661 1.00 0.00 C ATOM 1405 CG LEU B 76 24.377 7.989 -21.941 1.00 0.00 C ATOM 1406 CD1 LEU B 76 24.521 8.575 -23.388 1.00 0.00 C ATOM 1407 CD2 LEU B 76 25.153 8.967 -21.015 1.00 0.00 C ATOM 0 H LEU B 76 22.381 5.432 -21.564 1.00 0.00 H new ATOM 0 HA LEU B 76 22.958 7.441 -19.474 1.00 0.00 H new ATOM 0 HB2 LEU B 76 22.354 7.401 -22.520 1.00 0.00 H new ATOM 0 HB3 LEU B 76 22.415 8.885 -21.591 1.00 0.00 H new ATOM 0 HG LEU B 76 24.793 6.994 -21.781 1.00 0.00 H new ATOM 0 HD11 LEU B 76 25.578 8.674 -23.637 1.00 0.00 H new ATOM 0 HD12 LEU B 76 24.042 7.905 -24.101 1.00 0.00 H new ATOM 0 HD13 LEU B 76 24.044 9.554 -23.433 1.00 0.00 H new ATOM 0 HD21 LEU B 76 26.208 8.969 -21.290 1.00 0.00 H new ATOM 0 HD22 LEU B 76 24.747 9.972 -21.126 1.00 0.00 H new ATOM 0 HD23 LEU B 76 25.049 8.646 -19.978 1.00 0.00 H new ATOM 1419 N GLU B 77 20.208 6.165 -19.669 1.00 0.00 N ATOM 1420 CA GLU B 77 18.796 6.237 -19.299 1.00 0.00 C ATOM 1421 C GLU B 77 17.796 7.054 -20.104 1.00 0.00 C ATOM 1422 O GLU B 77 16.859 7.696 -19.532 1.00 0.00 O ATOM 1423 CB GLU B 77 18.687 6.546 -17.759 1.00 0.00 C ATOM 1424 CG GLU B 77 19.623 5.723 -16.788 1.00 0.00 C ATOM 1425 CD GLU B 77 19.094 4.312 -16.529 1.00 0.00 C ATOM 1426 OE1 GLU B 77 18.123 3.823 -17.180 1.00 0.00 O ATOM 1427 OE2 GLU B 77 19.703 3.699 -15.609 1.00 0.00 O ATOM 0 H GLU B 77 20.575 5.214 -19.680 1.00 0.00 H new ATOM 0 HA GLU B 77 18.448 5.244 -19.583 1.00 0.00 H new ATOM 0 HB2 GLU B 77 18.896 7.606 -17.612 1.00 0.00 H new ATOM 0 HB3 GLU B 77 17.654 6.379 -17.454 1.00 0.00 H new ATOM 0 HG2 GLU B 77 20.623 5.661 -17.217 1.00 0.00 H new ATOM 0 HG3 GLU B 77 19.716 6.253 -15.840 1.00 0.00 H new ATOM 1434 N MET B 78 17.904 7.074 -21.403 1.00 0.00 N ATOM 1435 CA MET B 78 17.094 7.843 -22.415 1.00 0.00 C ATOM 1436 C MET B 78 15.616 7.393 -22.503 1.00 0.00 C ATOM 1437 O MET B 78 15.325 6.261 -22.092 1.00 0.00 O ATOM 1438 CB MET B 78 17.797 7.746 -23.777 1.00 0.00 C ATOM 1439 CG MET B 78 19.197 8.361 -23.818 1.00 0.00 C ATOM 1440 SD MET B 78 20.058 8.570 -25.400 1.00 0.00 S ATOM 1441 CE MET B 78 19.754 10.418 -25.526 1.00 0.00 C ATOM 0 H MET B 78 18.619 6.511 -21.864 1.00 0.00 H new ATOM 0 HA MET B 78 17.046 8.882 -22.088 1.00 0.00 H new ATOM 0 HB2 MET B 78 17.868 6.696 -24.060 1.00 0.00 H new ATOM 0 HB3 MET B 78 17.177 8.237 -24.527 1.00 0.00 H new ATOM 0 HG2 MET B 78 19.131 9.345 -23.354 1.00 0.00 H new ATOM 0 HG3 MET B 78 19.837 7.750 -23.181 1.00 0.00 H new ATOM 0 HE1 MET B 78 19.887 10.739 -26.559 1.00 0.00 H new ATOM 0 HE2 MET B 78 18.737 10.642 -25.205 1.00 0.00 H new ATOM 0 HE3 MET B 78 20.461 10.947 -24.887 1.00 0.00 H new ATOM 1451 N GLU B 79 14.659 8.200 -22.938 1.00 0.00 N ATOM 1452 CA GLU B 79 13.139 7.944 -22.959 1.00 0.00 C ATOM 1453 C GLU B 79 12.610 8.174 -24.413 1.00 0.00 C ATOM 1454 O GLU B 79 13.421 8.314 -25.329 1.00 0.00 O ATOM 1455 CB GLU B 79 12.403 8.928 -21.958 1.00 0.00 C ATOM 1456 CG GLU B 79 12.733 8.375 -20.502 1.00 0.00 C ATOM 1457 CD GLU B 79 11.899 7.165 -20.103 1.00 0.00 C ATOM 1458 OE1 GLU B 79 10.868 6.879 -20.771 1.00 0.00 O ATOM 1459 OE2 GLU B 79 12.340 6.447 -19.158 1.00 0.00 O ATOM 0 H GLU B 79 14.886 9.119 -23.318 1.00 0.00 H new ATOM 0 HA GLU B 79 12.938 6.919 -22.647 1.00 0.00 H new ATOM 0 HB2 GLU B 79 12.759 9.951 -22.080 1.00 0.00 H new ATOM 0 HB3 GLU B 79 11.328 8.941 -22.139 1.00 0.00 H new ATOM 0 HG2 GLU B 79 13.789 8.109 -20.455 1.00 0.00 H new ATOM 0 HG3 GLU B 79 12.572 9.171 -19.775 1.00 0.00 H new ATOM 1466 N ASP B 80 11.272 8.239 -24.663 1.00 0.00 N ATOM 1467 CA ASP B 80 10.716 8.274 -26.047 1.00 0.00 C ATOM 1468 C ASP B 80 10.698 9.690 -26.743 1.00 0.00 C ATOM 1469 O ASP B 80 10.021 10.579 -26.335 1.00 0.00 O ATOM 1470 CB ASP B 80 9.277 7.605 -26.068 1.00 0.00 C ATOM 1471 CG ASP B 80 9.181 6.183 -25.488 1.00 0.00 C ATOM 1472 OD1 ASP B 80 9.036 6.041 -24.250 1.00 0.00 O ATOM 1473 OD2 ASP B 80 9.238 5.218 -26.269 1.00 0.00 O ATOM 0 H ASP B 80 10.563 8.268 -23.930 1.00 0.00 H new ATOM 0 HA ASP B 80 11.414 7.695 -26.652 1.00 0.00 H new ATOM 0 HB2 ASP B 80 8.592 8.248 -25.515 1.00 0.00 H new ATOM 0 HB3 ASP B 80 8.926 7.579 -27.100 1.00 0.00 H new ATOM 1478 N GLU B 81 11.486 9.850 -27.778 1.00 0.00 N ATOM 1479 CA GLU B 81 11.847 11.053 -28.559 1.00 0.00 C ATOM 1480 C GLU B 81 12.581 12.123 -27.751 1.00 0.00 C ATOM 1481 O GLU B 81 12.215 13.315 -27.759 1.00 0.00 O ATOM 1482 CB GLU B 81 10.703 11.762 -29.402 1.00 0.00 C ATOM 1483 CG GLU B 81 9.926 10.793 -30.400 1.00 0.00 C ATOM 1484 CD GLU B 81 8.482 11.330 -30.684 1.00 0.00 C ATOM 1485 OE1 GLU B 81 7.718 11.643 -29.724 1.00 0.00 O ATOM 1486 OE2 GLU B 81 8.124 11.610 -31.841 1.00 0.00 O ATOM 0 H GLU B 81 11.966 9.035 -28.161 1.00 0.00 H new ATOM 0 HA GLU B 81 12.516 10.593 -29.286 1.00 0.00 H new ATOM 0 HB2 GLU B 81 9.984 12.208 -28.714 1.00 0.00 H new ATOM 0 HB3 GLU B 81 11.143 12.578 -29.976 1.00 0.00 H new ATOM 0 HG2 GLU B 81 10.478 10.709 -31.336 1.00 0.00 H new ATOM 0 HG3 GLU B 81 9.869 9.792 -29.972 1.00 0.00 H new ATOM 1493 N ASP B 82 13.599 11.675 -27.031 1.00 0.00 N ATOM 1494 CA ASP B 82 14.627 12.534 -26.439 1.00 0.00 C ATOM 1495 C ASP B 82 15.602 13.068 -27.515 1.00 0.00 C ATOM 1496 O ASP B 82 15.994 12.328 -28.398 1.00 0.00 O ATOM 1497 CB ASP B 82 15.341 11.899 -25.257 1.00 0.00 C ATOM 1498 CG ASP B 82 14.522 11.792 -23.935 1.00 0.00 C ATOM 1499 OD1 ASP B 82 13.552 12.622 -23.763 1.00 0.00 O ATOM 1500 OD2 ASP B 82 14.961 10.930 -23.151 1.00 0.00 O ATOM 0 H ASP B 82 13.741 10.684 -26.835 1.00 0.00 H new ATOM 0 HA ASP B 82 14.107 13.395 -26.018 1.00 0.00 H new ATOM 0 HB2 ASP B 82 15.658 10.897 -25.546 1.00 0.00 H new ATOM 0 HB3 ASP B 82 16.245 12.473 -25.054 1.00 0.00 H new ATOM 1505 N THR B 83 15.960 14.356 -27.452 1.00 0.00 N ATOM 1506 CA THR B 83 16.685 15.067 -28.465 1.00 0.00 C ATOM 1507 C THR B 83 18.172 15.280 -28.110 1.00 0.00 C ATOM 1508 O THR B 83 18.475 15.892 -27.049 1.00 0.00 O ATOM 1509 CB THR B 83 16.099 16.463 -28.822 1.00 0.00 C ATOM 1510 OG1 THR B 83 14.775 16.269 -29.213 1.00 0.00 O ATOM 1511 CG2 THR B 83 16.803 17.183 -29.958 1.00 0.00 C ATOM 0 H THR B 83 15.733 14.942 -26.648 1.00 0.00 H new ATOM 0 HA THR B 83 16.586 14.408 -29.328 1.00 0.00 H new ATOM 0 HB THR B 83 16.220 17.086 -27.936 1.00 0.00 H new ATOM 0 HG1 THR B 83 14.372 17.132 -29.444 1.00 0.00 H new ATOM 0 HG21 THR B 83 16.322 18.146 -30.132 1.00 0.00 H new ATOM 0 HG22 THR B 83 17.849 17.342 -29.695 1.00 0.00 H new ATOM 0 HG23 THR B 83 16.744 16.579 -30.864 1.00 0.00 H new ATOM 1519 N ILE B 84 19.118 14.909 -28.987 1.00 0.00 N ATOM 1520 CA ILE B 84 20.621 15.036 -28.903 1.00 0.00 C ATOM 1521 C ILE B 84 21.049 16.310 -29.631 1.00 0.00 C ATOM 1522 O ILE B 84 20.472 16.659 -30.657 1.00 0.00 O ATOM 1523 CB ILE B 84 21.365 13.759 -29.318 1.00 0.00 C ATOM 1524 CG1 ILE B 84 21.076 12.525 -28.438 1.00 0.00 C ATOM 1525 CG2 ILE B 84 22.879 13.932 -29.466 1.00 0.00 C ATOM 1526 CD1 ILE B 84 21.338 11.216 -29.256 1.00 0.00 C ATOM 0 H ILE B 84 18.846 14.467 -29.865 1.00 0.00 H new ATOM 0 HA ILE B 84 20.920 15.143 -27.860 1.00 0.00 H new ATOM 0 HB ILE B 84 20.945 13.566 -30.305 1.00 0.00 H new ATOM 0 HG12 ILE B 84 21.709 12.543 -27.551 1.00 0.00 H new ATOM 0 HG13 ILE B 84 20.043 12.548 -28.092 1.00 0.00 H new ATOM 0 HG21 ILE B 84 23.327 12.983 -29.761 1.00 0.00 H new ATOM 0 HG22 ILE B 84 23.087 14.683 -30.228 1.00 0.00 H new ATOM 0 HG23 ILE B 84 23.303 14.253 -28.515 1.00 0.00 H new ATOM 0 HD11 ILE B 84 21.132 10.348 -28.629 1.00 0.00 H new ATOM 0 HD12 ILE B 84 20.686 11.196 -30.129 1.00 0.00 H new ATOM 0 HD13 ILE B 84 22.379 11.191 -29.580 1.00 0.00 H new ATOM 1538 N ASP B 85 22.137 16.943 -29.152 1.00 0.00 N ATOM 1539 CA ASP B 85 22.707 17.967 -29.972 1.00 0.00 C ATOM 1540 C ASP B 85 24.065 17.766 -30.596 1.00 0.00 C ATOM 1541 O ASP B 85 24.875 16.979 -30.027 1.00 0.00 O ATOM 1542 CB ASP B 85 22.932 19.195 -29.136 1.00 0.00 C ATOM 1543 CG ASP B 85 21.665 19.893 -28.557 1.00 0.00 C ATOM 1544 OD1 ASP B 85 21.059 20.450 -29.470 1.00 0.00 O ATOM 1545 OD2 ASP B 85 21.563 19.923 -27.296 1.00 0.00 O ATOM 0 H ASP B 85 22.596 16.764 -28.259 1.00 0.00 H new ATOM 0 HA ASP B 85 21.974 18.003 -30.778 1.00 0.00 H new ATOM 0 HB2 ASP B 85 23.581 18.925 -28.303 1.00 0.00 H new ATOM 0 HB3 ASP B 85 23.474 19.922 -29.740 1.00 0.00 H new ATOM 1550 N VAL B 86 24.349 18.365 -31.709 1.00 0.00 N ATOM 1551 CA VAL B 86 25.658 18.274 -32.377 1.00 0.00 C ATOM 1552 C VAL B 86 26.456 19.598 -32.308 1.00 0.00 C ATOM 1553 O VAL B 86 25.908 20.654 -32.590 1.00 0.00 O ATOM 1554 CB VAL B 86 25.585 17.802 -33.872 1.00 0.00 C ATOM 1555 CG1 VAL B 86 26.980 17.289 -34.367 1.00 0.00 C ATOM 1556 CG2 VAL B 86 24.434 16.737 -34.053 1.00 0.00 C ATOM 0 H VAL B 86 23.679 18.950 -32.209 1.00 0.00 H new ATOM 0 HA VAL B 86 26.182 17.504 -31.810 1.00 0.00 H new ATOM 0 HB VAL B 86 25.333 18.653 -34.505 1.00 0.00 H new ATOM 0 HG11 VAL B 86 26.902 16.968 -35.406 1.00 0.00 H new ATOM 0 HG12 VAL B 86 27.712 18.093 -34.290 1.00 0.00 H new ATOM 0 HG13 VAL B 86 27.298 16.448 -33.750 1.00 0.00 H new ATOM 0 HG21 VAL B 86 24.394 16.418 -35.094 1.00 0.00 H new ATOM 0 HG22 VAL B 86 24.633 15.875 -33.417 1.00 0.00 H new ATOM 0 HG23 VAL B 86 23.479 17.182 -33.773 1.00 0.00 H new ATOM 1566 N PHE B 87 27.715 19.610 -31.905 1.00 0.00 N ATOM 1567 CA PHE B 87 28.588 20.810 -31.870 1.00 0.00 C ATOM 1568 C PHE B 87 29.759 20.688 -32.875 1.00 0.00 C ATOM 1569 O PHE B 87 30.366 19.597 -32.974 1.00 0.00 O ATOM 1570 CB PHE B 87 29.037 21.114 -30.455 1.00 0.00 C ATOM 1571 CG PHE B 87 27.912 21.693 -29.636 1.00 0.00 C ATOM 1572 CD1 PHE B 87 26.831 20.970 -29.129 1.00 0.00 C ATOM 1573 CD2 PHE B 87 27.852 23.070 -29.593 1.00 0.00 C ATOM 1574 CE1 PHE B 87 25.750 21.628 -28.496 1.00 0.00 C ATOM 1575 CE2 PHE B 87 26.789 23.806 -28.996 1.00 0.00 C ATOM 1576 CZ PHE B 87 25.756 23.048 -28.476 1.00 0.00 C ATOM 0 H PHE B 87 28.189 18.768 -31.580 1.00 0.00 H new ATOM 0 HA PHE B 87 28.005 21.671 -32.197 1.00 0.00 H new ATOM 0 HB2 PHE B 87 29.401 20.202 -29.983 1.00 0.00 H new ATOM 0 HB3 PHE B 87 29.871 21.815 -30.479 1.00 0.00 H new ATOM 0 HD1 PHE B 87 26.820 19.894 -29.221 1.00 0.00 H new ATOM 0 HD2 PHE B 87 28.663 23.626 -30.041 1.00 0.00 H new ATOM 0 HE1 PHE B 87 24.946 21.068 -28.042 1.00 0.00 H new ATOM 0 HE2 PHE B 87 26.790 24.885 -28.952 1.00 0.00 H new ATOM 0 HZ PHE B 87 24.914 23.560 -28.034 1.00 0.00 H new ATOM 1586 N GLN B 88 30.046 21.677 -33.658 1.00 0.00 N ATOM 1587 CA GLN B 88 31.296 21.820 -34.414 1.00 0.00 C ATOM 1588 C GLN B 88 32.581 22.220 -33.568 1.00 0.00 C ATOM 1589 O GLN B 88 32.535 23.268 -32.963 1.00 0.00 O ATOM 1590 CB GLN B 88 31.099 22.910 -35.413 1.00 0.00 C ATOM 1591 CG GLN B 88 30.073 22.520 -36.524 1.00 0.00 C ATOM 1592 CD GLN B 88 30.627 21.496 -37.468 1.00 0.00 C ATOM 1593 OE1 GLN B 88 31.836 21.241 -37.514 1.00 0.00 O ATOM 1594 NE2 GLN B 88 29.771 20.866 -38.246 1.00 0.00 N ATOM 0 H GLN B 88 29.402 22.453 -33.810 1.00 0.00 H new ATOM 0 HA GLN B 88 31.491 20.834 -34.835 1.00 0.00 H new ATOM 0 HB2 GLN B 88 30.754 23.809 -34.903 1.00 0.00 H new ATOM 0 HB3 GLN B 88 32.056 23.153 -35.875 1.00 0.00 H new ATOM 0 HG2 GLN B 88 29.167 22.132 -36.060 1.00 0.00 H new ATOM 0 HG3 GLN B 88 29.788 23.411 -37.083 1.00 0.00 H new ATOM 0 HE21 GLN B 88 28.777 21.088 -38.196 1.00 0.00 H new ATOM 0 HE22 GLN B 88 30.102 20.156 -38.899 1.00 0.00 H new ATOM 1603 N GLN B 89 33.669 21.467 -33.591 1.00 0.00 N ATOM 1604 CA GLN B 89 34.830 21.831 -32.810 1.00 0.00 C ATOM 1605 C GLN B 89 35.470 23.084 -33.396 1.00 0.00 C ATOM 1606 O GLN B 89 35.290 23.431 -34.590 1.00 0.00 O ATOM 1607 CB GLN B 89 35.760 20.663 -32.879 1.00 0.00 C ATOM 1608 CG GLN B 89 37.069 20.849 -32.075 1.00 0.00 C ATOM 1609 CD GLN B 89 36.872 21.056 -30.572 1.00 0.00 C ATOM 1610 OE1 GLN B 89 35.967 20.508 -30.053 1.00 0.00 O ATOM 1611 NE2 GLN B 89 37.647 21.934 -29.966 1.00 0.00 N ATOM 0 H GLN B 89 33.768 20.611 -34.136 1.00 0.00 H new ATOM 0 HA GLN B 89 34.575 22.056 -31.774 1.00 0.00 H new ATOM 0 HB2 GLN B 89 35.242 19.778 -32.510 1.00 0.00 H new ATOM 0 HB3 GLN B 89 36.011 20.473 -33.923 1.00 0.00 H new ATOM 0 HG2 GLN B 89 37.701 19.974 -32.228 1.00 0.00 H new ATOM 0 HG3 GLN B 89 37.609 21.706 -32.478 1.00 0.00 H new ATOM 0 HE21 GLN B 89 38.415 22.373 -30.474 1.00 0.00 H new ATOM 0 HE22 GLN B 89 37.479 22.174 -28.989 1.00 0.00 H new