USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=14 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= 0.195 K(o=0.55,f=-1.8!) USER MOD Set 1.2: B 88 GLN : amide:sc= 0.359 K(o=0.55,f=-1.8) USER MOD Set 2.1: B 28 SER OG : rot -92:sc= 1.22 USER MOD Set 2.2: B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 HIS : no HD1:sc= -0.404 K(o=-0.4,f=-1.1) USER MOD Single : B 19 ASN : amide:sc= 0.163 X(o=0.16,f=0) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 GLN : amide:sc= 0.868 K(o=0.87,f=-0.0031) USER MOD Single : B 31 GLN : amide:sc=-0.000626 K(o=-0.00063,f=-0.96) 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= 0.181 K(o=0.18,f=-2.7!) USER MOD Single : B 38 THR OG1 : rot -160:sc= 0.0379 USER MOD Single : B 41 SER OG : rot -138:sc= 1.08 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 MET CE :methyl -170:sc= 0 (180deg=-0.173) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 CYS SG : rot -21:sc= -0.94 USER MOD Single : B 51 GLN :FLIP amide:sc= -0.083 F(o=-0.8,f=-0.083) USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 55 MET CE :methyl 173:sc= 0 (180deg=-0.0818) USER MOD Single : B 65 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : B 68 ASN : amide:sc= 0.791 K(o=0.79,f=0) USER MOD Single : B 70 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : B 72 THR OG1 : rot 180:sc= 0.157 USER MOD Single : B 75 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : B 78 MET CE :methyl 176:sc= -0.87 (180deg=-0.901) USER MOD Single : B 83 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN :FLIP amide:sc= -0.136 F(o=-0.67,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 38 13.952 12.145 -46.180 1.00 0.00 N ATOM 23 CA ASP A 38 14.197 10.758 -45.755 1.00 0.00 C ATOM 24 C ASP A 38 14.507 10.670 -44.275 1.00 0.00 C ATOM 25 O ASP A 38 15.536 10.099 -43.889 1.00 0.00 O ATOM 26 CB ASP A 38 15.310 10.159 -46.645 1.00 0.00 C ATOM 27 CG ASP A 38 15.323 8.625 -46.635 1.00 0.00 C ATOM 28 OD1 ASP A 38 14.380 7.961 -46.098 1.00 0.00 O ATOM 29 OD2 ASP A 38 16.253 7.956 -47.196 1.00 0.00 O ATOM 0 HA ASP A 38 13.292 10.165 -45.889 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.177 10.509 -47.669 1.00 0.00 H new ATOM 0 HB3 ASP A 38 16.278 10.528 -46.305 1.00 0.00 H new ATOM 34 N ALA A 39 13.762 11.403 -43.397 1.00 0.00 N ATOM 35 CA ALA A 39 14.236 11.771 -42.055 1.00 0.00 C ATOM 36 C ALA A 39 14.155 10.632 -41.004 1.00 0.00 C ATOM 37 O ALA A 39 13.673 10.890 -39.864 1.00 0.00 O ATOM 38 CB ALA A 39 13.607 13.077 -41.533 1.00 0.00 C ATOM 0 H ALA A 39 12.825 11.746 -43.610 1.00 0.00 H new ATOM 0 HA ALA A 39 15.301 11.957 -42.195 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.996 13.296 -40.539 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.856 13.896 -42.208 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.524 12.964 -41.482 1.00 0.00 H new ATOM 44 N PHE A 40 14.448 9.415 -41.410 1.00 0.00 N ATOM 45 CA PHE A 40 14.176 8.231 -40.655 1.00 0.00 C ATOM 46 C PHE A 40 15.261 7.170 -40.879 1.00 0.00 C ATOM 47 O PHE A 40 15.583 6.866 -42.030 1.00 0.00 O ATOM 48 CB PHE A 40 12.859 7.665 -41.225 1.00 0.00 C ATOM 49 CG PHE A 40 12.031 7.085 -40.097 1.00 0.00 C ATOM 50 CD1 PHE A 40 11.262 7.895 -39.192 1.00 0.00 C ATOM 51 CD2 PHE A 40 11.827 5.648 -39.965 1.00 0.00 C ATOM 52 CE1 PHE A 40 10.475 7.327 -38.139 1.00 0.00 C ATOM 53 CE2 PHE A 40 10.954 5.145 -38.975 1.00 0.00 C ATOM 54 CZ PHE A 40 10.311 5.954 -38.020 1.00 0.00 C ATOM 0 H PHE A 40 14.897 9.227 -42.306 1.00 0.00 H new ATOM 0 HA PHE A 40 14.131 8.466 -39.592 1.00 0.00 H new ATOM 0 HB2 PHE A 40 12.302 8.452 -41.733 1.00 0.00 H new ATOM 0 HB3 PHE A 40 13.072 6.896 -41.967 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.278 8.968 -39.310 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.344 4.967 -40.625 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.999 7.981 -37.423 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.770 4.081 -38.950 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.715 5.525 -37.228 1.00 0.00 H new ATOM 64 N ILE A 41 15.784 6.489 -39.833 1.00 0.00 N ATOM 65 CA ILE A 41 16.793 5.442 -39.864 1.00 0.00 C ATOM 66 C ILE A 41 16.672 4.437 -38.698 1.00 0.00 C ATOM 67 O ILE A 41 16.683 4.912 -37.547 1.00 0.00 O ATOM 68 CB ILE A 41 18.244 6.034 -39.893 1.00 0.00 C ATOM 69 CG1 ILE A 41 18.455 7.402 -40.641 1.00 0.00 C ATOM 70 CG2 ILE A 41 19.186 4.970 -40.316 1.00 0.00 C ATOM 71 CD1 ILE A 41 19.879 7.723 -41.022 1.00 0.00 C ATOM 0 H ILE A 41 15.478 6.683 -38.880 1.00 0.00 H new ATOM 0 HA ILE A 41 16.606 4.897 -40.789 1.00 0.00 H new ATOM 0 HB ILE A 41 18.459 6.345 -38.871 1.00 0.00 H new ATOM 0 HG12 ILE A 41 17.848 7.398 -41.546 1.00 0.00 H new ATOM 0 HG13 ILE A 41 18.078 8.204 -40.007 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.200 5.370 -40.340 1.00 0.00 H new ATOM 0 HG22 ILE A 41 19.140 4.141 -39.610 1.00 0.00 H new ATOM 0 HG23 ILE A 41 18.912 4.616 -41.310 1.00 0.00 H new ATOM 0 HD11 ILE A 41 19.911 8.686 -41.531 1.00 0.00 H new ATOM 0 HD12 ILE A 41 20.495 7.767 -40.124 1.00 0.00 H new ATOM 0 HD13 ILE A 41 20.261 6.948 -41.687 1.00 0.00 H new ATOM 83 N VAL A 42 16.479 3.182 -38.984 1.00 0.00 N ATOM 84 CA VAL A 42 15.740 2.214 -38.121 1.00 0.00 C ATOM 85 C VAL A 42 16.716 1.174 -37.606 1.00 0.00 C ATOM 86 O VAL A 42 16.591 -0.076 -37.644 1.00 0.00 O ATOM 87 CB VAL A 42 14.477 1.654 -38.815 1.00 0.00 C ATOM 88 CG1 VAL A 42 13.575 0.776 -37.896 1.00 0.00 C ATOM 89 CG2 VAL A 42 13.584 2.752 -39.318 1.00 0.00 C ATOM 0 H VAL A 42 16.830 2.759 -39.843 1.00 0.00 H new ATOM 0 HA VAL A 42 15.331 2.722 -37.247 1.00 0.00 H new ATOM 0 HB VAL A 42 14.886 1.046 -39.622 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.712 0.424 -38.462 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.146 -0.080 -37.536 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.235 1.368 -37.047 1.00 0.00 H new ATOM 0 HG21 VAL A 42 12.708 2.317 -39.799 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.267 3.375 -38.482 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.128 3.362 -40.039 1.00 0.00 H new ATOM 99 N ILE A 43 17.837 1.712 -37.038 1.00 0.00 N ATOM 100 CA ILE A 43 19.083 0.996 -36.517 1.00 0.00 C ATOM 101 C ILE A 43 18.839 -0.047 -35.398 1.00 0.00 C ATOM 102 O ILE A 43 18.124 0.174 -34.412 1.00 0.00 O ATOM 103 CB ILE A 43 20.178 2.033 -36.148 1.00 0.00 C ATOM 104 CG1 ILE A 43 20.352 3.111 -37.192 1.00 0.00 C ATOM 105 CG2 ILE A 43 21.393 1.302 -35.646 1.00 0.00 C ATOM 106 CD1 ILE A 43 21.731 3.835 -37.125 1.00 0.00 C ATOM 0 H ILE A 43 17.917 2.721 -36.916 1.00 0.00 H new ATOM 0 HA ILE A 43 19.439 0.379 -37.342 1.00 0.00 H new ATOM 0 HB ILE A 43 19.871 2.655 -35.307 1.00 0.00 H new ATOM 0 HG12 ILE A 43 20.232 2.669 -38.181 1.00 0.00 H new ATOM 0 HG13 ILE A 43 19.559 3.849 -37.074 1.00 0.00 H new ATOM 0 HG21 ILE A 43 22.168 2.022 -35.384 1.00 0.00 H new ATOM 0 HG22 ILE A 43 21.128 0.718 -34.765 1.00 0.00 H new ATOM 0 HG23 ILE A 43 21.765 0.636 -36.425 1.00 0.00 H new ATOM 0 HD11 ILE A 43 21.781 4.595 -37.905 1.00 0.00 H new ATOM 0 HD12 ILE A 43 21.847 4.308 -36.150 1.00 0.00 H new ATOM 0 HD13 ILE A 43 22.531 3.109 -37.273 1.00 0.00 H new ATOM 439 N HIS B 17 10.598 -0.465 -28.680 1.00 0.00 N ATOM 440 CA HIS B 17 11.587 0.458 -29.237 1.00 0.00 C ATOM 441 C HIS B 17 11.751 1.832 -28.543 1.00 0.00 C ATOM 442 O HIS B 17 11.084 2.117 -27.584 1.00 0.00 O ATOM 443 CB HIS B 17 11.171 0.748 -30.755 1.00 0.00 C ATOM 444 CG HIS B 17 11.093 -0.561 -31.624 1.00 0.00 C ATOM 445 ND1 HIS B 17 9.980 -1.173 -32.238 1.00 0.00 N ATOM 446 CD2 HIS B 17 12.227 -1.204 -32.077 1.00 0.00 C ATOM 447 CE1 HIS B 17 10.497 -2.095 -33.015 1.00 0.00 C ATOM 448 NE2 HIS B 17 11.821 -2.218 -32.914 1.00 0.00 N ATOM 0 HA HIS B 17 12.543 -0.047 -29.099 1.00 0.00 H new ATOM 0 HB2 HIS B 17 10.203 1.249 -30.773 1.00 0.00 H new ATOM 0 HB3 HIS B 17 11.893 1.433 -31.201 1.00 0.00 H new ATOM 0 HD2 HIS B 17 13.247 -0.957 -31.821 1.00 0.00 H new ATOM 0 HE1 HIS B 17 9.901 -2.703 -33.680 1.00 0.00 H new ATOM 0 HE2 HIS B 17 12.410 -2.918 -33.364 1.00 0.00 H new ATOM 456 N ILE B 18 12.710 2.602 -28.982 1.00 0.00 N ATOM 457 CA ILE B 18 12.938 4.009 -28.516 1.00 0.00 C ATOM 458 C ILE B 18 13.323 4.975 -29.692 1.00 0.00 C ATOM 459 O ILE B 18 13.892 4.651 -30.697 1.00 0.00 O ATOM 460 CB ILE B 18 13.912 3.990 -27.325 1.00 0.00 C ATOM 461 CG1 ILE B 18 13.972 5.384 -26.670 1.00 0.00 C ATOM 462 CG2 ILE B 18 15.212 3.329 -27.638 1.00 0.00 C ATOM 463 CD1 ILE B 18 14.420 5.451 -25.215 1.00 0.00 C ATOM 0 H ILE B 18 13.383 2.297 -29.685 1.00 0.00 H new ATOM 0 HA ILE B 18 12.006 4.439 -28.149 1.00 0.00 H new ATOM 0 HB ILE B 18 13.526 3.331 -26.547 1.00 0.00 H new ATOM 0 HG12 ILE B 18 14.646 6.006 -27.260 1.00 0.00 H new ATOM 0 HG13 ILE B 18 12.981 5.833 -26.739 1.00 0.00 H new ATOM 0 HG21 ILE B 18 15.852 3.350 -26.756 1.00 0.00 H new ATOM 0 HG22 ILE B 18 15.033 2.295 -27.932 1.00 0.00 H new ATOM 0 HG23 ILE B 18 15.702 3.859 -28.455 1.00 0.00 H new ATOM 0 HD11 ILE B 18 14.417 6.488 -24.881 1.00 0.00 H new ATOM 0 HD12 ILE B 18 13.737 4.868 -24.597 1.00 0.00 H new ATOM 0 HD13 ILE B 18 15.427 5.044 -25.125 1.00 0.00 H new ATOM 475 N ASN B 19 12.766 6.226 -29.645 1.00 0.00 N ATOM 476 CA ASN B 19 12.767 7.206 -30.677 1.00 0.00 C ATOM 477 C ASN B 19 13.662 8.441 -30.306 1.00 0.00 C ATOM 478 O ASN B 19 13.371 8.996 -29.236 1.00 0.00 O ATOM 479 CB ASN B 19 11.301 7.589 -30.990 1.00 0.00 C ATOM 480 CG ASN B 19 10.647 6.390 -31.524 1.00 0.00 C ATOM 481 OD1 ASN B 19 10.603 6.152 -32.694 1.00 0.00 O ATOM 482 ND2 ASN B 19 9.946 5.695 -30.649 1.00 0.00 N ATOM 0 H ASN B 19 12.282 6.556 -28.810 1.00 0.00 H new ATOM 0 HA ASN B 19 13.217 6.795 -31.581 1.00 0.00 H new ATOM 0 HB2 ASN B 19 10.793 7.936 -30.090 1.00 0.00 H new ATOM 0 HB3 ASN B 19 11.262 8.404 -31.713 1.00 0.00 H new ATOM 0 HD21 ASN B 19 9.347 4.932 -30.966 1.00 0.00 H new ATOM 0 HD22 ASN B 19 10.003 5.920 -29.656 1.00 0.00 H new ATOM 489 N LEU B 20 14.757 8.740 -31.020 1.00 0.00 N ATOM 490 CA LEU B 20 15.561 9.901 -30.769 1.00 0.00 C ATOM 491 C LEU B 20 15.733 10.768 -32.008 1.00 0.00 C ATOM 492 O LEU B 20 15.875 10.245 -33.102 1.00 0.00 O ATOM 493 CB LEU B 20 16.870 9.747 -29.951 1.00 0.00 C ATOM 494 CG LEU B 20 16.741 8.796 -28.777 1.00 0.00 C ATOM 495 CD1 LEU B 20 17.980 7.944 -28.591 1.00 0.00 C ATOM 496 CD2 LEU B 20 16.401 9.396 -27.486 1.00 0.00 C ATOM 0 H LEU B 20 15.096 8.165 -31.791 1.00 0.00 H new ATOM 0 HA LEU B 20 14.941 10.432 -30.046 1.00 0.00 H new ATOM 0 HB2 LEU B 20 17.662 9.392 -30.611 1.00 0.00 H new ATOM 0 HB3 LEU B 20 17.177 10.726 -29.583 1.00 0.00 H new ATOM 0 HG LEU B 20 15.885 8.190 -29.072 1.00 0.00 H new ATOM 0 HD11 LEU B 20 17.840 7.279 -27.739 1.00 0.00 H new ATOM 0 HD12 LEU B 20 18.152 7.351 -29.489 1.00 0.00 H new ATOM 0 HD13 LEU B 20 18.841 8.588 -28.411 1.00 0.00 H new ATOM 0 HD21 LEU B 20 16.338 8.616 -26.728 1.00 0.00 H new ATOM 0 HD22 LEU B 20 17.171 10.114 -27.204 1.00 0.00 H new ATOM 0 HD23 LEU B 20 15.441 9.906 -27.563 1.00 0.00 H new ATOM 508 N LYS B 21 15.800 12.064 -31.927 1.00 0.00 N ATOM 509 CA LYS B 21 16.318 12.986 -32.923 1.00 0.00 C ATOM 510 C LYS B 21 17.781 13.136 -32.621 1.00 0.00 C ATOM 511 O LYS B 21 18.128 13.367 -31.472 1.00 0.00 O ATOM 512 CB LYS B 21 15.649 14.336 -32.806 1.00 0.00 C ATOM 513 CG LYS B 21 14.203 14.290 -33.397 1.00 0.00 C ATOM 514 CD LYS B 21 13.605 15.667 -33.044 1.00 0.00 C ATOM 515 CE LYS B 21 12.239 15.745 -33.819 1.00 0.00 C ATOM 516 NZ LYS B 21 11.669 17.099 -33.964 1.00 0.00 N ATOM 0 H LYS B 21 15.468 12.555 -31.097 1.00 0.00 H new ATOM 0 HA LYS B 21 16.135 12.611 -33.930 1.00 0.00 H new ATOM 0 HB2 LYS B 21 15.610 14.638 -31.760 1.00 0.00 H new ATOM 0 HB3 LYS B 21 16.239 15.086 -33.333 1.00 0.00 H new ATOM 0 HG2 LYS B 21 14.218 14.127 -34.475 1.00 0.00 H new ATOM 0 HG3 LYS B 21 13.620 13.479 -32.960 1.00 0.00 H new ATOM 0 HD2 LYS B 21 13.452 15.764 -31.969 1.00 0.00 H new ATOM 0 HD3 LYS B 21 14.273 16.474 -33.345 1.00 0.00 H new ATOM 0 HE2 LYS B 21 12.380 15.320 -34.813 1.00 0.00 H new ATOM 0 HE3 LYS B 21 11.512 15.117 -33.304 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 10.772 17.044 -34.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 11.496 17.506 -33.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 12.337 17.703 -34.485 1.00 0.00 H new ATOM 530 N VAL B 22 18.622 13.216 -33.663 1.00 0.00 N ATOM 531 CA VAL B 22 19.980 13.703 -33.662 1.00 0.00 C ATOM 532 C VAL B 22 20.093 15.027 -34.510 1.00 0.00 C ATOM 533 O VAL B 22 19.753 14.973 -35.694 1.00 0.00 O ATOM 534 CB VAL B 22 21.003 12.653 -34.161 1.00 0.00 C ATOM 535 CG1 VAL B 22 22.429 13.174 -34.361 1.00 0.00 C ATOM 536 CG2 VAL B 22 21.155 11.423 -33.234 1.00 0.00 C ATOM 0 H VAL B 22 18.333 12.914 -34.593 1.00 0.00 H new ATOM 0 HA VAL B 22 20.232 13.915 -32.623 1.00 0.00 H new ATOM 0 HB VAL B 22 20.557 12.382 -35.118 1.00 0.00 H new ATOM 0 HG11 VAL B 22 23.067 12.363 -34.711 1.00 0.00 H new ATOM 0 HG12 VAL B 22 22.423 13.976 -35.099 1.00 0.00 H new ATOM 0 HG13 VAL B 22 22.813 13.555 -33.415 1.00 0.00 H new ATOM 0 HG21 VAL B 22 21.890 10.738 -33.656 1.00 0.00 H new ATOM 0 HG22 VAL B 22 21.487 11.749 -32.248 1.00 0.00 H new ATOM 0 HG23 VAL B 22 20.195 10.915 -33.143 1.00 0.00 H new ATOM 546 N ALA B 23 20.377 16.110 -33.775 1.00 0.00 N ATOM 547 CA ALA B 23 20.202 17.459 -34.367 1.00 0.00 C ATOM 548 C ALA B 23 21.324 18.407 -34.053 1.00 0.00 C ATOM 549 O ALA B 23 21.922 18.286 -32.971 1.00 0.00 O ATOM 550 CB ALA B 23 18.848 17.981 -33.866 1.00 0.00 C ATOM 0 H ALA B 23 20.714 16.094 -32.812 1.00 0.00 H new ATOM 0 HA ALA B 23 20.222 17.387 -35.454 1.00 0.00 H new ATOM 0 HB1 ALA B 23 18.668 18.976 -34.274 1.00 0.00 H new ATOM 0 HB2 ALA B 23 18.055 17.307 -34.191 1.00 0.00 H new ATOM 0 HB3 ALA B 23 18.858 18.031 -32.777 1.00 0.00 H new ATOM 556 N GLY B 24 21.718 19.300 -34.987 1.00 0.00 N ATOM 557 CA GLY B 24 22.644 20.357 -34.713 1.00 0.00 C ATOM 558 C GLY B 24 21.920 21.717 -34.534 1.00 0.00 C ATOM 559 O GLY B 24 20.800 21.898 -34.935 1.00 0.00 O ATOM 0 H GLY B 24 21.385 19.285 -35.951 1.00 0.00 H new ATOM 0 HA2 GLY B 24 23.208 20.123 -33.810 1.00 0.00 H new ATOM 0 HA3 GLY B 24 23.364 20.432 -35.528 1.00 0.00 H new ATOM 563 N GLN B 25 22.627 22.671 -33.883 1.00 0.00 N ATOM 564 CA GLN B 25 22.093 24.024 -33.524 1.00 0.00 C ATOM 565 C GLN B 25 21.778 24.904 -34.724 1.00 0.00 C ATOM 566 O GLN B 25 21.022 25.856 -34.589 1.00 0.00 O ATOM 567 CB GLN B 25 23.131 24.618 -32.507 1.00 0.00 C ATOM 568 CG GLN B 25 23.691 23.861 -31.346 1.00 0.00 C ATOM 569 CD GLN B 25 22.719 22.932 -30.658 1.00 0.00 C ATOM 570 OE1 GLN B 25 21.687 23.346 -30.148 1.00 0.00 O ATOM 571 NE2 GLN B 25 23.081 21.687 -30.507 1.00 0.00 N ATOM 0 H GLN B 25 23.593 22.531 -33.586 1.00 0.00 H new ATOM 0 HA GLN B 25 21.108 23.959 -33.061 1.00 0.00 H new ATOM 0 HB2 GLN B 25 23.986 24.943 -33.100 1.00 0.00 H new ATOM 0 HB3 GLN B 25 22.672 25.515 -32.092 1.00 0.00 H new ATOM 0 HG2 GLN B 25 24.545 23.278 -31.690 1.00 0.00 H new ATOM 0 HG3 GLN B 25 24.067 24.575 -30.614 1.00 0.00 H new ATOM 0 HE21 GLN B 25 23.943 21.351 -30.936 1.00 0.00 H new ATOM 0 HE22 GLN B 25 22.502 21.050 -29.960 1.00 0.00 H new ATOM 580 N ASP B 26 22.311 24.523 -35.923 1.00 0.00 N ATOM 581 CA ASP B 26 21.960 25.108 -37.214 1.00 0.00 C ATOM 582 C ASP B 26 20.660 24.669 -37.758 1.00 0.00 C ATOM 583 O ASP B 26 20.245 25.152 -38.840 1.00 0.00 O ATOM 584 CB ASP B 26 23.231 24.956 -38.156 1.00 0.00 C ATOM 585 CG ASP B 26 23.583 23.475 -38.491 1.00 0.00 C ATOM 586 OD1 ASP B 26 22.689 22.605 -38.386 1.00 0.00 O ATOM 587 OD2 ASP B 26 24.699 23.111 -38.844 1.00 0.00 O ATOM 0 H ASP B 26 23.009 23.784 -35.999 1.00 0.00 H new ATOM 0 HA ASP B 26 21.746 26.172 -37.111 1.00 0.00 H new ATOM 0 HB2 ASP B 26 23.052 25.498 -39.085 1.00 0.00 H new ATOM 0 HB3 ASP B 26 24.089 25.425 -37.674 1.00 0.00 H new ATOM 592 N GLY B 27 20.017 23.624 -37.175 1.00 0.00 N ATOM 593 CA GLY B 27 18.642 23.292 -37.552 1.00 0.00 C ATOM 594 C GLY B 27 18.603 21.965 -38.461 1.00 0.00 C ATOM 595 O GLY B 27 17.555 21.607 -39.007 1.00 0.00 O ATOM 0 H GLY B 27 20.425 23.019 -36.463 1.00 0.00 H new ATOM 0 HA2 GLY B 27 18.041 23.142 -36.655 1.00 0.00 H new ATOM 0 HA3 GLY B 27 18.199 24.125 -38.097 1.00 0.00 H new ATOM 599 N SER B 28 19.803 21.311 -38.582 1.00 0.00 N ATOM 600 CA SER B 28 19.914 19.972 -39.284 1.00 0.00 C ATOM 601 C SER B 28 19.708 18.675 -38.428 1.00 0.00 C ATOM 602 O SER B 28 20.169 18.692 -37.265 1.00 0.00 O ATOM 603 CB SER B 28 21.269 19.916 -40.011 1.00 0.00 C ATOM 604 OG SER B 28 22.420 20.134 -39.186 1.00 0.00 O ATOM 0 H SER B 28 20.686 21.669 -38.217 1.00 0.00 H new ATOM 0 HA SER B 28 19.061 19.947 -39.962 1.00 0.00 H new ATOM 0 HB2 SER B 28 21.365 18.941 -40.489 1.00 0.00 H new ATOM 0 HB3 SER B 28 21.266 20.662 -40.806 1.00 0.00 H new ATOM 0 HG SER B 28 22.646 21.088 -39.185 1.00 0.00 H new ATOM 610 N VAL B 29 18.896 17.701 -38.979 1.00 0.00 N ATOM 611 CA VAL B 29 18.366 16.554 -38.132 1.00 0.00 C ATOM 612 C VAL B 29 18.273 15.259 -38.939 1.00 0.00 C ATOM 613 O VAL B 29 18.067 15.169 -40.160 1.00 0.00 O ATOM 614 CB VAL B 29 16.988 16.914 -37.589 1.00 0.00 C ATOM 615 CG1 VAL B 29 16.845 18.341 -36.994 1.00 0.00 C ATOM 616 CG2 VAL B 29 15.871 16.768 -38.560 1.00 0.00 C ATOM 0 H VAL B 29 18.604 17.681 -39.956 1.00 0.00 H new ATOM 0 HA VAL B 29 19.062 16.392 -37.309 1.00 0.00 H new ATOM 0 HB VAL B 29 16.911 16.172 -36.794 1.00 0.00 H new ATOM 0 HG11 VAL B 29 15.825 18.487 -36.639 1.00 0.00 H new ATOM 0 HG12 VAL B 29 17.539 18.460 -36.162 1.00 0.00 H new ATOM 0 HG13 VAL B 29 17.070 19.080 -37.763 1.00 0.00 H new ATOM 0 HG21 VAL B 29 14.933 17.047 -38.080 1.00 0.00 H new ATOM 0 HG22 VAL B 29 16.047 17.417 -39.418 1.00 0.00 H new ATOM 0 HG23 VAL B 29 15.813 15.732 -38.895 1.00 0.00 H new ATOM 626 N VAL B 30 18.403 14.149 -38.206 1.00 0.00 N ATOM 627 CA VAL B 30 17.729 12.855 -38.486 1.00 0.00 C ATOM 628 C VAL B 30 17.053 12.340 -37.114 1.00 0.00 C ATOM 629 O VAL B 30 17.579 12.590 -36.022 1.00 0.00 O ATOM 630 CB VAL B 30 18.667 11.835 -39.146 1.00 0.00 C ATOM 631 CG1 VAL B 30 17.863 10.675 -39.650 1.00 0.00 C ATOM 632 CG2 VAL B 30 19.533 12.202 -40.340 1.00 0.00 C ATOM 0 H VAL B 30 18.994 14.114 -37.376 1.00 0.00 H new ATOM 0 HA VAL B 30 16.942 12.992 -39.228 1.00 0.00 H new ATOM 0 HB VAL B 30 19.358 11.677 -38.318 1.00 0.00 H new ATOM 0 HG11 VAL B 30 18.527 9.949 -40.119 1.00 0.00 H new ATOM 0 HG12 VAL B 30 17.341 10.204 -38.817 1.00 0.00 H new ATOM 0 HG13 VAL B 30 17.135 11.027 -40.381 1.00 0.00 H new ATOM 0 HG21 VAL B 30 20.117 11.334 -40.647 1.00 0.00 H new ATOM 0 HG22 VAL B 30 18.897 12.522 -41.166 1.00 0.00 H new ATOM 0 HG23 VAL B 30 20.207 13.014 -40.065 1.00 0.00 H new ATOM 642 N GLN B 31 15.895 11.734 -37.250 1.00 0.00 N ATOM 643 CA GLN B 31 15.264 10.942 -36.225 1.00 0.00 C ATOM 644 C GLN B 31 15.523 9.415 -36.494 1.00 0.00 C ATOM 645 O GLN B 31 15.319 8.880 -37.572 1.00 0.00 O ATOM 646 CB GLN B 31 13.785 11.354 -36.074 1.00 0.00 C ATOM 647 CG GLN B 31 12.961 10.385 -35.230 1.00 0.00 C ATOM 648 CD GLN B 31 11.527 10.937 -34.907 1.00 0.00 C ATOM 649 OE1 GLN B 31 11.273 12.169 -35.039 1.00 0.00 O ATOM 650 NE2 GLN B 31 10.563 10.140 -34.526 1.00 0.00 N ATOM 0 H GLN B 31 15.349 11.783 -38.110 1.00 0.00 H new ATOM 0 HA GLN B 31 15.707 11.135 -35.248 1.00 0.00 H new ATOM 0 HB2 GLN B 31 13.737 12.345 -35.623 1.00 0.00 H new ATOM 0 HB3 GLN B 31 13.336 11.432 -37.064 1.00 0.00 H new ATOM 0 HG2 GLN B 31 12.871 9.435 -35.757 1.00 0.00 H new ATOM 0 HG3 GLN B 31 13.487 10.183 -34.297 1.00 0.00 H new ATOM 0 HE21 GLN B 31 10.741 9.142 -34.412 1.00 0.00 H new ATOM 0 HE22 GLN B 31 9.633 10.516 -34.343 1.00 0.00 H new ATOM 659 N PHE B 32 15.823 8.717 -35.425 1.00 0.00 N ATOM 660 CA PHE B 32 16.179 7.300 -35.296 1.00 0.00 C ATOM 661 C PHE B 32 15.236 6.522 -34.352 1.00 0.00 C ATOM 662 O PHE B 32 15.255 6.750 -33.116 1.00 0.00 O ATOM 663 CB PHE B 32 17.599 7.330 -34.781 1.00 0.00 C ATOM 664 CG PHE B 32 18.647 7.865 -35.703 1.00 0.00 C ATOM 665 CD1 PHE B 32 19.237 6.961 -36.648 1.00 0.00 C ATOM 666 CD2 PHE B 32 19.122 9.176 -35.625 1.00 0.00 C ATOM 667 CE1 PHE B 32 20.202 7.393 -37.547 1.00 0.00 C ATOM 668 CE2 PHE B 32 20.128 9.598 -36.476 1.00 0.00 C ATOM 669 CZ PHE B 32 20.589 8.759 -37.500 1.00 0.00 C ATOM 0 H PHE B 32 15.828 9.170 -34.511 1.00 0.00 H new ATOM 0 HA PHE B 32 16.084 6.771 -36.244 1.00 0.00 H new ATOM 0 HB2 PHE B 32 17.615 7.926 -33.868 1.00 0.00 H new ATOM 0 HB3 PHE B 32 17.880 6.314 -34.503 1.00 0.00 H new ATOM 0 HD1 PHE B 32 18.925 5.927 -36.660 1.00 0.00 H new ATOM 0 HD2 PHE B 32 18.704 9.860 -34.901 1.00 0.00 H new ATOM 0 HE1 PHE B 32 20.645 6.713 -38.259 1.00 0.00 H new ATOM 0 HE2 PHE B 32 20.561 10.580 -36.351 1.00 0.00 H new ATOM 0 HZ PHE B 32 21.245 9.155 -38.261 1.00 0.00 H new ATOM 679 N LYS B 33 14.666 5.399 -34.810 1.00 0.00 N ATOM 680 CA LYS B 33 13.974 4.395 -34.042 1.00 0.00 C ATOM 681 C LYS B 33 14.944 3.217 -33.861 1.00 0.00 C ATOM 682 O LYS B 33 15.245 2.507 -34.854 1.00 0.00 O ATOM 683 CB LYS B 33 12.719 4.056 -34.806 1.00 0.00 C ATOM 684 CG LYS B 33 11.916 2.978 -33.984 1.00 0.00 C ATOM 685 CD LYS B 33 10.823 2.524 -34.966 1.00 0.00 C ATOM 686 CE LYS B 33 9.804 1.511 -34.399 1.00 0.00 C ATOM 687 NZ LYS B 33 8.873 1.010 -35.426 1.00 0.00 N ATOM 0 H LYS B 33 14.687 5.166 -35.803 1.00 0.00 H new ATOM 0 HA LYS B 33 13.672 4.714 -33.044 1.00 0.00 H new ATOM 0 HB2 LYS B 33 12.112 4.949 -34.955 1.00 0.00 H new ATOM 0 HB3 LYS B 33 12.969 3.671 -35.795 1.00 0.00 H new ATOM 0 HG2 LYS B 33 12.553 2.148 -33.680 1.00 0.00 H new ATOM 0 HG3 LYS B 33 11.489 3.402 -33.075 1.00 0.00 H new ATOM 0 HD2 LYS B 33 10.281 3.404 -35.312 1.00 0.00 H new ATOM 0 HD3 LYS B 33 11.303 2.081 -35.839 1.00 0.00 H new ATOM 0 HE2 LYS B 33 10.340 0.670 -33.958 1.00 0.00 H new ATOM 0 HE3 LYS B 33 9.236 1.983 -33.597 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 8.211 0.334 -34.994 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 8.340 1.807 -35.830 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 9.410 0.535 -36.179 1.00 0.00 H new ATOM 701 N ILE B 34 15.264 3.004 -32.590 1.00 0.00 N ATOM 702 CA ILE B 34 16.257 2.028 -32.221 1.00 0.00 C ATOM 703 C ILE B 34 15.716 1.139 -31.097 1.00 0.00 C ATOM 704 O ILE B 34 14.574 1.288 -30.599 1.00 0.00 O ATOM 705 CB ILE B 34 17.534 2.792 -31.837 1.00 0.00 C ATOM 706 CG1 ILE B 34 17.440 3.808 -30.667 1.00 0.00 C ATOM 707 CG2 ILE B 34 18.265 3.434 -32.982 1.00 0.00 C ATOM 708 CD1 ILE B 34 18.737 4.363 -30.167 1.00 0.00 C ATOM 0 H ILE B 34 14.844 3.500 -31.804 1.00 0.00 H new ATOM 0 HA ILE B 34 16.497 1.355 -33.044 1.00 0.00 H new ATOM 0 HB ILE B 34 18.117 1.950 -31.465 1.00 0.00 H new ATOM 0 HG12 ILE B 34 16.812 4.640 -30.985 1.00 0.00 H new ATOM 0 HG13 ILE B 34 16.930 3.324 -29.834 1.00 0.00 H new ATOM 0 HG21 ILE B 34 19.150 3.947 -32.606 1.00 0.00 H new ATOM 0 HG22 ILE B 34 18.566 2.668 -33.697 1.00 0.00 H new ATOM 0 HG23 ILE B 34 17.610 4.153 -33.474 1.00 0.00 H new ATOM 0 HD11 ILE B 34 18.544 5.060 -29.351 1.00 0.00 H new ATOM 0 HD12 ILE B 34 19.367 3.549 -29.808 1.00 0.00 H new ATOM 0 HD13 ILE B 34 19.246 4.885 -30.977 1.00 0.00 H new ATOM 720 N LYS B 35 16.539 0.196 -30.612 1.00 0.00 N ATOM 721 CA LYS B 35 16.323 -0.495 -29.352 1.00 0.00 C ATOM 722 C LYS B 35 17.050 0.164 -28.129 1.00 0.00 C ATOM 723 O LYS B 35 17.883 1.029 -28.364 1.00 0.00 O ATOM 724 CB LYS B 35 16.717 -1.963 -29.465 1.00 0.00 C ATOM 725 CG LYS B 35 15.527 -2.664 -30.128 1.00 0.00 C ATOM 726 CD LYS B 35 15.856 -4.178 -30.226 1.00 0.00 C ATOM 727 CE LYS B 35 14.824 -4.885 -31.105 1.00 0.00 C ATOM 728 NZ LYS B 35 15.382 -6.133 -31.736 1.00 0.00 N ATOM 0 H LYS B 35 17.383 -0.105 -31.099 1.00 0.00 H new ATOM 0 HA LYS B 35 15.254 -0.412 -29.154 1.00 0.00 H new ATOM 0 HB2 LYS B 35 17.622 -2.080 -30.061 1.00 0.00 H new ATOM 0 HB3 LYS B 35 16.925 -2.389 -28.483 1.00 0.00 H new ATOM 0 HG2 LYS B 35 14.620 -2.508 -29.545 1.00 0.00 H new ATOM 0 HG3 LYS B 35 15.344 -2.249 -31.119 1.00 0.00 H new ATOM 0 HD2 LYS B 35 16.854 -4.315 -30.642 1.00 0.00 H new ATOM 0 HD3 LYS B 35 15.862 -4.622 -29.230 1.00 0.00 H new ATOM 0 HE2 LYS B 35 13.951 -5.141 -30.505 1.00 0.00 H new ATOM 0 HE3 LYS B 35 14.485 -4.204 -31.886 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 14.651 -6.582 -32.324 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 16.200 -5.886 -32.329 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 15.682 -6.794 -30.991 1.00 0.00 H new ATOM 742 N ARG B 36 16.644 -0.181 -26.944 1.00 0.00 N ATOM 743 CA ARG B 36 17.320 0.412 -25.749 1.00 0.00 C ATOM 744 C ARG B 36 18.785 0.172 -25.546 1.00 0.00 C ATOM 745 O ARG B 36 19.427 1.087 -24.933 1.00 0.00 O ATOM 746 CB ARG B 36 16.490 0.076 -24.538 1.00 0.00 C ATOM 747 CG ARG B 36 15.099 0.716 -24.498 1.00 0.00 C ATOM 748 CD ARG B 36 14.430 0.721 -23.114 1.00 0.00 C ATOM 749 NE ARG B 36 14.339 -0.568 -22.383 1.00 0.00 N ATOM 750 CZ ARG B 36 15.193 -1.050 -21.520 1.00 0.00 C ATOM 751 NH1 ARG B 36 16.076 -0.322 -20.976 1.00 0.00 N ATOM 752 NH2 ARG B 36 15.169 -2.355 -21.174 1.00 0.00 N ATOM 0 H ARG B 36 15.887 -0.836 -26.746 1.00 0.00 H new ATOM 0 HA ARG B 36 17.355 1.484 -25.942 1.00 0.00 H new ATOM 0 HB2 ARG B 36 16.375 -1.007 -24.486 1.00 0.00 H new ATOM 0 HB3 ARG B 36 17.038 0.381 -23.647 1.00 0.00 H new ATOM 0 HG2 ARG B 36 15.177 1.744 -24.852 1.00 0.00 H new ATOM 0 HG3 ARG B 36 14.451 0.187 -25.197 1.00 0.00 H new ATOM 0 HD2 ARG B 36 14.971 1.426 -22.483 1.00 0.00 H new ATOM 0 HD3 ARG B 36 13.419 1.111 -23.232 1.00 0.00 H new ATOM 0 HE ARG B 36 13.518 -1.141 -22.576 1.00 0.00 H new ATOM 0 HH11 ARG B 36 16.134 0.669 -21.209 1.00 0.00 H new ATOM 0 HH12 ARG B 36 16.729 -0.727 -20.306 1.00 0.00 H new ATOM 0 HH21 ARG B 36 14.477 -2.980 -21.588 1.00 0.00 H new ATOM 0 HH22 ARG B 36 15.843 -2.716 -20.499 1.00 0.00 H new ATOM 766 N HIS B 37 19.313 -0.930 -26.033 1.00 0.00 N ATOM 767 CA HIS B 37 20.699 -1.376 -26.127 1.00 0.00 C ATOM 768 C HIS B 37 21.334 -1.046 -27.478 1.00 0.00 C ATOM 769 O HIS B 37 22.517 -1.390 -27.650 1.00 0.00 O ATOM 770 CB HIS B 37 20.681 -2.812 -25.621 1.00 0.00 C ATOM 771 CG HIS B 37 19.835 -3.787 -26.410 1.00 0.00 C ATOM 772 ND1 HIS B 37 18.471 -3.716 -26.744 1.00 0.00 N ATOM 773 CD2 HIS B 37 20.394 -4.921 -26.961 1.00 0.00 C ATOM 774 CE1 HIS B 37 18.256 -4.746 -27.526 1.00 0.00 C ATOM 775 NE2 HIS B 37 19.408 -5.415 -27.705 1.00 0.00 N ATOM 0 H HIS B 37 18.696 -1.638 -26.430 1.00 0.00 H new ATOM 0 HA HIS B 37 21.404 -0.832 -25.499 1.00 0.00 H new ATOM 0 HB2 HIS B 37 21.706 -3.183 -25.605 1.00 0.00 H new ATOM 0 HB3 HIS B 37 20.327 -2.808 -24.590 1.00 0.00 H new ATOM 0 HD2 HIS B 37 21.391 -5.313 -26.822 1.00 0.00 H new ATOM 0 HE1 HIS B 37 17.303 -5.015 -27.958 1.00 0.00 H new ATOM 0 HE2 HIS B 37 19.514 -6.208 -28.337 1.00 0.00 H new ATOM 783 N THR B 38 20.767 -0.357 -28.471 1.00 0.00 N ATOM 784 CA THR B 38 21.485 0.003 -29.675 1.00 0.00 C ATOM 785 C THR B 38 22.406 1.158 -29.328 1.00 0.00 C ATOM 786 O THR B 38 21.973 2.153 -28.708 1.00 0.00 O ATOM 787 CB THR B 38 20.474 0.391 -30.759 1.00 0.00 C ATOM 788 OG1 THR B 38 19.609 -0.651 -31.079 1.00 0.00 O ATOM 789 CG2 THR B 38 21.181 0.839 -32.072 1.00 0.00 C ATOM 0 H THR B 38 19.798 -0.038 -28.454 1.00 0.00 H new ATOM 0 HA THR B 38 22.080 -0.826 -30.058 1.00 0.00 H new ATOM 0 HB THR B 38 19.904 1.218 -30.336 1.00 0.00 H new ATOM 0 HG1 THR B 38 19.209 -0.486 -31.958 1.00 0.00 H new ATOM 0 HG21 THR B 38 20.431 1.106 -32.816 1.00 0.00 H new ATOM 0 HG22 THR B 38 21.813 1.703 -31.868 1.00 0.00 H new ATOM 0 HG23 THR B 38 21.794 0.022 -32.452 1.00 0.00 H new ATOM 797 N PRO B 39 23.644 1.220 -29.683 1.00 0.00 N ATOM 798 CA PRO B 39 24.641 2.240 -29.221 1.00 0.00 C ATOM 799 C PRO B 39 24.528 3.495 -30.029 1.00 0.00 C ATOM 800 O PRO B 39 24.326 3.399 -31.253 1.00 0.00 O ATOM 801 CB PRO B 39 26.011 1.708 -29.479 1.00 0.00 C ATOM 802 CG PRO B 39 25.846 0.229 -29.769 1.00 0.00 C ATOM 803 CD PRO B 39 24.422 0.047 -30.287 1.00 0.00 C ATOM 0 HA PRO B 39 24.457 2.445 -28.166 1.00 0.00 H new ATOM 0 HB2 PRO B 39 26.474 2.220 -30.322 1.00 0.00 H new ATOM 0 HB3 PRO B 39 26.658 1.865 -28.616 1.00 0.00 H new ATOM 0 HG2 PRO B 39 26.574 -0.105 -30.508 1.00 0.00 H new ATOM 0 HG3 PRO B 39 26.011 -0.364 -28.869 1.00 0.00 H new ATOM 0 HD2 PRO B 39 24.390 0.068 -31.376 1.00 0.00 H new ATOM 0 HD3 PRO B 39 24.005 -0.910 -29.974 1.00 0.00 H new ATOM 811 N LEU B 40 24.718 4.709 -29.420 1.00 0.00 N ATOM 812 CA LEU B 40 24.579 5.939 -30.151 1.00 0.00 C ATOM 813 C LEU B 40 25.706 6.309 -31.080 1.00 0.00 C ATOM 814 O LEU B 40 25.573 7.091 -32.051 1.00 0.00 O ATOM 815 CB LEU B 40 24.382 7.021 -29.067 1.00 0.00 C ATOM 816 CG LEU B 40 23.268 6.910 -28.020 1.00 0.00 C ATOM 817 CD1 LEU B 40 23.192 8.234 -27.274 1.00 0.00 C ATOM 818 CD2 LEU B 40 21.840 6.552 -28.537 1.00 0.00 C ATOM 0 H LEU B 40 24.964 4.825 -28.437 1.00 0.00 H new ATOM 0 HA LEU B 40 23.743 5.833 -30.843 1.00 0.00 H new ATOM 0 HB2 LEU B 40 25.323 7.099 -28.522 1.00 0.00 H new ATOM 0 HB3 LEU B 40 24.235 7.968 -29.587 1.00 0.00 H new ATOM 0 HG LEU B 40 23.551 6.062 -27.397 1.00 0.00 H new ATOM 0 HD11 LEU B 40 22.405 8.183 -26.521 1.00 0.00 H new ATOM 0 HD12 LEU B 40 24.147 8.433 -26.788 1.00 0.00 H new ATOM 0 HD13 LEU B 40 22.969 9.036 -27.978 1.00 0.00 H new ATOM 0 HD21 LEU B 40 21.149 6.506 -27.695 1.00 0.00 H new ATOM 0 HD22 LEU B 40 21.505 7.315 -29.239 1.00 0.00 H new ATOM 0 HD23 LEU B 40 21.867 5.585 -29.038 1.00 0.00 H new ATOM 830 N SER B 41 26.897 5.776 -30.888 1.00 0.00 N ATOM 831 CA SER B 41 28.030 5.890 -31.771 1.00 0.00 C ATOM 832 C SER B 41 27.752 5.397 -33.233 1.00 0.00 C ATOM 833 O SER B 41 28.514 5.784 -34.142 1.00 0.00 O ATOM 834 CB SER B 41 29.266 5.190 -31.227 1.00 0.00 C ATOM 835 OG SER B 41 29.147 3.827 -31.116 1.00 0.00 O ATOM 0 H SER B 41 27.107 5.219 -30.060 1.00 0.00 H new ATOM 0 HA SER B 41 28.220 6.962 -31.819 1.00 0.00 H new ATOM 0 HB2 SER B 41 30.111 5.416 -31.877 1.00 0.00 H new ATOM 0 HB3 SER B 41 29.499 5.603 -30.245 1.00 0.00 H new ATOM 0 HG SER B 41 29.545 3.532 -30.270 1.00 0.00 H new ATOM 841 N LYS B 42 26.681 4.599 -33.484 1.00 0.00 N ATOM 842 CA LYS B 42 26.222 4.364 -34.851 1.00 0.00 C ATOM 843 C LYS B 42 25.483 5.543 -35.430 1.00 0.00 C ATOM 844 O LYS B 42 25.538 5.830 -36.628 1.00 0.00 O ATOM 845 CB LYS B 42 25.255 3.181 -34.845 1.00 0.00 C ATOM 846 CG LYS B 42 26.024 1.914 -34.673 1.00 0.00 C ATOM 847 CD LYS B 42 25.053 0.738 -34.751 1.00 0.00 C ATOM 848 CE LYS B 42 25.737 -0.600 -34.532 1.00 0.00 C ATOM 849 NZ LYS B 42 24.941 -1.746 -34.999 1.00 0.00 N ATOM 0 H LYS B 42 26.138 4.123 -32.764 1.00 0.00 H new ATOM 0 HA LYS B 42 27.108 4.179 -35.459 1.00 0.00 H new ATOM 0 HB2 LYS B 42 24.531 3.293 -34.038 1.00 0.00 H new ATOM 0 HB3 LYS B 42 24.691 3.153 -35.777 1.00 0.00 H new ATOM 0 HG2 LYS B 42 26.786 1.827 -35.447 1.00 0.00 H new ATOM 0 HG3 LYS B 42 26.542 1.913 -33.714 1.00 0.00 H new ATOM 0 HD2 LYS B 42 24.270 0.868 -34.004 1.00 0.00 H new ATOM 0 HD3 LYS B 42 24.566 0.738 -35.726 1.00 0.00 H new ATOM 0 HE2 LYS B 42 26.696 -0.598 -35.049 1.00 0.00 H new ATOM 0 HE3 LYS B 42 25.948 -0.722 -33.470 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 25.464 -2.627 -34.821 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 24.035 -1.771 -34.488 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 24.761 -1.651 -36.019 1.00 0.00 H new ATOM 863 N LEU B 43 24.759 6.272 -34.552 1.00 0.00 N ATOM 864 CA LEU B 43 23.853 7.321 -34.958 1.00 0.00 C ATOM 865 C LEU B 43 24.648 8.620 -35.283 1.00 0.00 C ATOM 866 O LEU B 43 24.371 9.210 -36.327 1.00 0.00 O ATOM 867 CB LEU B 43 22.875 7.679 -33.789 1.00 0.00 C ATOM 868 CG LEU B 43 21.633 6.865 -33.646 1.00 0.00 C ATOM 869 CD1 LEU B 43 21.977 5.389 -33.278 1.00 0.00 C ATOM 870 CD2 LEU B 43 20.654 7.347 -32.604 1.00 0.00 C ATOM 0 H LEU B 43 24.801 6.134 -33.542 1.00 0.00 H new ATOM 0 HA LEU B 43 23.306 6.963 -35.830 1.00 0.00 H new ATOM 0 HB2 LEU B 43 23.431 7.609 -32.854 1.00 0.00 H new ATOM 0 HB3 LEU B 43 22.580 8.722 -33.907 1.00 0.00 H new ATOM 0 HG LEU B 43 21.158 6.961 -34.622 1.00 0.00 H new ATOM 0 HD11 LEU B 43 21.056 4.815 -33.179 1.00 0.00 H new ATOM 0 HD12 LEU B 43 22.594 4.953 -34.063 1.00 0.00 H new ATOM 0 HD13 LEU B 43 22.522 5.367 -32.334 1.00 0.00 H new ATOM 0 HD21 LEU B 43 19.789 6.684 -32.584 1.00 0.00 H new ATOM 0 HD22 LEU B 43 21.134 7.347 -31.626 1.00 0.00 H new ATOM 0 HD23 LEU B 43 20.330 8.359 -32.849 1.00 0.00 H new ATOM 882 N MET B 44 25.711 8.833 -34.487 1.00 0.00 N ATOM 883 CA MET B 44 26.885 9.705 -34.790 1.00 0.00 C ATOM 884 C MET B 44 27.212 9.570 -36.308 1.00 0.00 C ATOM 885 O MET B 44 26.931 10.497 -37.084 1.00 0.00 O ATOM 886 CB MET B 44 28.120 9.410 -33.959 1.00 0.00 C ATOM 887 CG MET B 44 27.917 9.645 -32.497 1.00 0.00 C ATOM 888 SD MET B 44 29.342 9.175 -31.379 1.00 0.00 S ATOM 889 CE MET B 44 30.624 10.421 -31.775 1.00 0.00 C ATOM 0 H MET B 44 25.789 8.388 -33.573 1.00 0.00 H new ATOM 0 HA MET B 44 26.605 10.725 -34.527 1.00 0.00 H new ATOM 0 HB2 MET B 44 28.416 8.373 -34.116 1.00 0.00 H new ATOM 0 HB3 MET B 44 28.943 10.033 -34.310 1.00 0.00 H new ATOM 0 HG2 MET B 44 27.698 10.702 -32.347 1.00 0.00 H new ATOM 0 HG3 MET B 44 27.035 9.089 -32.180 1.00 0.00 H new ATOM 0 HE1 MET B 44 31.566 10.135 -31.307 1.00 0.00 H new ATOM 0 HE2 MET B 44 30.757 10.475 -32.855 1.00 0.00 H new ATOM 0 HE3 MET B 44 30.313 11.395 -31.399 1.00 0.00 H new ATOM 899 N LYS B 45 27.718 8.440 -36.704 1.00 0.00 N ATOM 900 CA LYS B 45 28.183 8.229 -38.009 1.00 0.00 C ATOM 901 C LYS B 45 27.035 8.295 -39.058 1.00 0.00 C ATOM 902 O LYS B 45 27.234 8.967 -40.062 1.00 0.00 O ATOM 903 CB LYS B 45 28.872 6.899 -38.047 1.00 0.00 C ATOM 904 CG LYS B 45 30.213 6.912 -37.330 1.00 0.00 C ATOM 905 CD LYS B 45 30.804 5.510 -37.413 1.00 0.00 C ATOM 906 CE LYS B 45 32.259 5.605 -36.958 1.00 0.00 C ATOM 907 NZ LYS B 45 32.958 4.380 -37.114 1.00 0.00 N ATOM 0 H LYS B 45 27.814 7.626 -36.097 1.00 0.00 H new ATOM 0 HA LYS B 45 28.880 9.024 -38.274 1.00 0.00 H new ATOM 0 HB2 LYS B 45 28.228 6.148 -37.590 1.00 0.00 H new ATOM 0 HB3 LYS B 45 29.022 6.602 -39.085 1.00 0.00 H new ATOM 0 HG2 LYS B 45 30.885 7.637 -37.791 1.00 0.00 H new ATOM 0 HG3 LYS B 45 30.086 7.211 -36.290 1.00 0.00 H new ATOM 0 HD2 LYS B 45 30.247 4.820 -36.779 1.00 0.00 H new ATOM 0 HD3 LYS B 45 30.744 5.127 -38.432 1.00 0.00 H new ATOM 0 HE2 LYS B 45 32.765 6.384 -37.529 1.00 0.00 H new ATOM 0 HE3 LYS B 45 32.290 5.907 -35.911 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 33.940 4.497 -36.791 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 32.494 3.641 -36.549 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 32.954 4.103 -38.116 1.00 0.00 H new ATOM 921 N ALA B 46 25.866 7.672 -38.899 1.00 0.00 N ATOM 922 CA ALA B 46 24.782 7.851 -39.898 1.00 0.00 C ATOM 923 C ALA B 46 24.211 9.305 -40.001 1.00 0.00 C ATOM 924 O ALA B 46 23.769 9.690 -41.088 1.00 0.00 O ATOM 925 CB ALA B 46 23.646 6.920 -39.473 1.00 0.00 C ATOM 0 H ALA B 46 25.638 7.056 -38.119 1.00 0.00 H new ATOM 0 HA ALA B 46 25.201 7.630 -40.880 1.00 0.00 H new ATOM 0 HB1 ALA B 46 22.818 7.011 -40.176 1.00 0.00 H new ATOM 0 HB2 ALA B 46 24.003 5.890 -39.465 1.00 0.00 H new ATOM 0 HB3 ALA B 46 23.306 7.194 -38.474 1.00 0.00 H new ATOM 931 N TYR B 47 24.417 10.165 -38.998 1.00 0.00 N ATOM 932 CA TYR B 47 24.142 11.622 -39.092 1.00 0.00 C ATOM 933 C TYR B 47 25.241 12.255 -39.892 1.00 0.00 C ATOM 934 O TYR B 47 24.987 12.968 -40.881 1.00 0.00 O ATOM 935 CB TYR B 47 23.922 12.138 -37.647 1.00 0.00 C ATOM 936 CG TYR B 47 23.961 13.685 -37.635 1.00 0.00 C ATOM 937 CD1 TYR B 47 25.192 14.263 -37.441 1.00 0.00 C ATOM 938 CD2 TYR B 47 22.802 14.445 -37.627 1.00 0.00 C ATOM 939 CE1 TYR B 47 25.277 15.633 -37.134 1.00 0.00 C ATOM 940 CE2 TYR B 47 22.913 15.831 -37.416 1.00 0.00 C ATOM 941 CZ TYR B 47 24.098 16.430 -37.058 1.00 0.00 C ATOM 942 OH TYR B 47 24.252 17.816 -36.878 1.00 0.00 O ATOM 0 H TYR B 47 24.781 9.879 -38.089 1.00 0.00 H new ATOM 0 HA TYR B 47 23.233 11.886 -39.633 1.00 0.00 H new ATOM 0 HB2 TYR B 47 22.963 11.786 -37.267 1.00 0.00 H new ATOM 0 HB3 TYR B 47 24.693 11.740 -36.987 1.00 0.00 H new ATOM 0 HD1 TYR B 47 26.090 13.669 -37.524 1.00 0.00 H new ATOM 0 HD2 TYR B 47 21.837 13.984 -37.779 1.00 0.00 H new ATOM 0 HE1 TYR B 47 26.242 16.084 -36.955 1.00 0.00 H new ATOM 0 HE2 TYR B 47 22.035 16.448 -37.540 1.00 0.00 H new ATOM 0 HH TYR B 47 23.370 18.241 -36.844 1.00 0.00 H new ATOM 952 N CYS B 48 26.508 12.051 -39.525 1.00 0.00 N ATOM 953 CA CYS B 48 27.728 12.624 -40.064 1.00 0.00 C ATOM 954 C CYS B 48 27.860 12.378 -41.539 1.00 0.00 C ATOM 955 O CYS B 48 28.268 13.245 -42.299 1.00 0.00 O ATOM 956 CB CYS B 48 28.832 12.152 -39.187 1.00 0.00 C ATOM 957 SG CYS B 48 30.425 12.955 -39.530 1.00 0.00 S ATOM 0 H CYS B 48 26.719 11.410 -38.760 1.00 0.00 H new ATOM 0 HA CYS B 48 27.740 13.714 -40.037 1.00 0.00 H new ATOM 0 HB2 CYS B 48 28.561 12.331 -38.147 1.00 0.00 H new ATOM 0 HB3 CYS B 48 28.944 11.074 -39.306 1.00 0.00 H new ATOM 0 HG CYS B 48 30.416 13.440 -40.736 1.00 0.00 H new ATOM 963 N GLU B 49 27.561 11.160 -41.987 1.00 0.00 N ATOM 964 CA GLU B 49 27.475 10.703 -43.433 1.00 0.00 C ATOM 965 C GLU B 49 26.491 11.543 -44.241 1.00 0.00 C ATOM 966 O GLU B 49 26.985 12.206 -45.145 1.00 0.00 O ATOM 967 CB GLU B 49 27.007 9.179 -43.498 1.00 0.00 C ATOM 968 CG GLU B 49 28.081 8.197 -43.162 1.00 0.00 C ATOM 969 CD GLU B 49 27.507 6.848 -42.782 1.00 0.00 C ATOM 970 OE1 GLU B 49 26.485 6.276 -43.312 1.00 0.00 O ATOM 971 OE2 GLU B 49 28.251 6.230 -41.995 1.00 0.00 O ATOM 0 H GLU B 49 27.355 10.399 -41.340 1.00 0.00 H new ATOM 0 HA GLU B 49 28.470 10.820 -43.863 1.00 0.00 H new ATOM 0 HB2 GLU B 49 26.172 9.037 -42.812 1.00 0.00 H new ATOM 0 HB3 GLU B 49 26.636 8.966 -44.501 1.00 0.00 H new ATOM 0 HG2 GLU B 49 28.748 8.081 -44.016 1.00 0.00 H new ATOM 0 HG3 GLU B 49 28.682 8.582 -42.338 1.00 0.00 H new ATOM 978 N ARG B 50 25.232 11.638 -43.855 1.00 0.00 N ATOM 979 CA ARG B 50 24.171 12.488 -44.559 1.00 0.00 C ATOM 980 C ARG B 50 24.562 13.972 -44.577 1.00 0.00 C ATOM 981 O ARG B 50 24.457 14.543 -45.603 1.00 0.00 O ATOM 982 CB ARG B 50 22.805 12.327 -43.838 1.00 0.00 C ATOM 983 CG ARG B 50 22.269 10.946 -44.078 1.00 0.00 C ATOM 984 CD ARG B 50 20.794 10.700 -43.657 1.00 0.00 C ATOM 985 NE ARG B 50 20.304 9.539 -44.439 1.00 0.00 N ATOM 986 CZ ARG B 50 19.092 9.188 -44.651 1.00 0.00 C ATOM 987 NH1 ARG B 50 18.144 10.053 -44.504 1.00 0.00 N ATOM 988 NH2 ARG B 50 18.752 7.968 -44.943 1.00 0.00 N ATOM 0 H ARG B 50 24.870 11.140 -43.042 1.00 0.00 H new ATOM 0 HA ARG B 50 24.094 12.140 -45.589 1.00 0.00 H new ATOM 0 HB2 ARG B 50 22.924 12.501 -42.769 1.00 0.00 H new ATOM 0 HB3 ARG B 50 22.098 13.071 -44.205 1.00 0.00 H new ATOM 0 HG2 ARG B 50 22.364 10.721 -45.140 1.00 0.00 H new ATOM 0 HG3 ARG B 50 22.901 10.236 -43.544 1.00 0.00 H new ATOM 0 HD2 ARG B 50 20.727 10.500 -42.588 1.00 0.00 H new ATOM 0 HD3 ARG B 50 20.185 11.582 -43.855 1.00 0.00 H new ATOM 0 HE ARG B 50 21.021 8.948 -44.859 1.00 0.00 H new ATOM 0 HH11 ARG B 50 18.364 11.008 -44.221 1.00 0.00 H new ATOM 0 HH12 ARG B 50 17.175 9.781 -44.671 1.00 0.00 H new ATOM 0 HH21 ARG B 50 19.465 7.242 -45.011 1.00 0.00 H new ATOM 0 HH22 ARG B 50 17.772 7.736 -45.104 1.00 0.00 H new ATOM 1002 N GLN B 51 25.242 14.409 -43.508 1.00 0.00 N ATOM 1003 CA GLN B 51 25.824 15.828 -43.451 1.00 0.00 C ATOM 1004 C GLN B 51 27.138 16.047 -44.243 1.00 0.00 C ATOM 1005 O GLN B 51 27.481 17.182 -44.651 1.00 0.00 O ATOM 1006 CB GLN B 51 26.052 16.247 -42.054 1.00 0.00 C ATOM 1007 CG GLN B 51 24.923 16.356 -41.013 1.00 0.00 C ATOM 1008 CD GLN B 51 23.750 17.273 -41.433 1.00 0.00 C ATOM 1009 OE1 GLN B 51 22.493 16.880 -41.303 1.00 0.00 O flip ATOM 1010 NE2 GLN B 51 23.990 18.352 -41.970 1.00 0.00 N flip ATOM 0 H GLN B 51 25.419 13.847 -42.676 1.00 0.00 H new ATOM 0 HA GLN B 51 25.063 16.438 -43.937 1.00 0.00 H new ATOM 0 HB2 GLN B 51 26.787 15.557 -41.641 1.00 0.00 H new ATOM 0 HB3 GLN B 51 26.526 17.228 -42.099 1.00 0.00 H new ATOM 0 HG2 GLN B 51 24.534 15.358 -40.812 1.00 0.00 H new ATOM 0 HG3 GLN B 51 25.342 16.729 -40.078 1.00 0.00 H new ATOM 0 HE21 GLN B 51 24.955 18.666 -42.076 1.00 0.00 H new ATOM 0 HE22 GLN B 51 23.224 18.934 -42.310 1.00 0.00 H new ATOM 1019 N GLY B 52 27.910 14.970 -44.543 1.00 0.00 N ATOM 1020 CA GLY B 52 29.122 15.057 -45.345 1.00 0.00 C ATOM 1021 C GLY B 52 30.310 15.694 -44.652 1.00 0.00 C ATOM 1022 O GLY B 52 31.116 16.401 -45.326 1.00 0.00 O ATOM 0 H GLY B 52 27.695 14.024 -44.227 1.00 0.00 H new ATOM 0 HA2 GLY B 52 29.402 14.052 -45.661 1.00 0.00 H new ATOM 0 HA3 GLY B 52 28.901 15.626 -46.248 1.00 0.00 H new ATOM 1026 N LEU B 53 30.289 15.739 -43.292 1.00 0.00 N ATOM 1027 CA LEU B 53 31.062 16.671 -42.441 1.00 0.00 C ATOM 1028 C LEU B 53 32.154 15.796 -41.853 1.00 0.00 C ATOM 1029 O LEU B 53 31.986 14.588 -41.752 1.00 0.00 O ATOM 1030 CB LEU B 53 30.226 17.184 -41.270 1.00 0.00 C ATOM 1031 CG LEU B 53 29.228 18.395 -41.482 1.00 0.00 C ATOM 1032 CD1 LEU B 53 28.472 18.557 -40.171 1.00 0.00 C ATOM 1033 CD2 LEU B 53 30.025 19.638 -41.842 1.00 0.00 C ATOM 0 H LEU B 53 29.711 15.102 -42.744 1.00 0.00 H new ATOM 0 HA LEU B 53 31.408 17.532 -43.013 1.00 0.00 H new ATOM 0 HB2 LEU B 53 29.641 16.344 -40.896 1.00 0.00 H new ATOM 0 HB3 LEU B 53 30.918 17.469 -40.477 1.00 0.00 H new ATOM 0 HG LEU B 53 28.523 18.224 -42.295 1.00 0.00 H new ATOM 0 HD11 LEU B 53 27.765 19.382 -40.258 1.00 0.00 H new ATOM 0 HD12 LEU B 53 27.931 17.638 -39.947 1.00 0.00 H new ATOM 0 HD13 LEU B 53 29.178 18.767 -39.367 1.00 0.00 H new ATOM 0 HD21 LEU B 53 29.344 20.477 -41.990 1.00 0.00 H new ATOM 0 HD22 LEU B 53 30.719 19.872 -41.035 1.00 0.00 H new ATOM 0 HD23 LEU B 53 30.584 19.458 -42.760 1.00 0.00 H new ATOM 1045 N SER B 54 33.251 16.423 -41.384 1.00 0.00 N ATOM 1046 CA SER B 54 34.210 15.610 -40.620 1.00 0.00 C ATOM 1047 C SER B 54 33.701 15.363 -39.172 1.00 0.00 C ATOM 1048 O SER B 54 33.392 16.334 -38.454 1.00 0.00 O ATOM 1049 CB SER B 54 35.557 16.318 -40.516 1.00 0.00 C ATOM 1050 OG SER B 54 36.440 15.456 -39.811 1.00 0.00 O ATOM 0 H SER B 54 33.483 17.409 -41.507 1.00 0.00 H new ATOM 0 HA SER B 54 34.316 14.663 -41.150 1.00 0.00 H new ATOM 0 HB2 SER B 54 35.950 16.541 -41.508 1.00 0.00 H new ATOM 0 HB3 SER B 54 35.451 17.269 -39.993 1.00 0.00 H new ATOM 0 HG SER B 54 37.318 15.883 -39.729 1.00 0.00 H new ATOM 1056 N MET B 55 33.488 14.128 -38.738 1.00 0.00 N ATOM 1057 CA MET B 55 33.015 13.797 -37.422 1.00 0.00 C ATOM 1058 C MET B 55 33.896 14.404 -36.293 1.00 0.00 C ATOM 1059 O MET B 55 33.527 14.494 -35.132 1.00 0.00 O ATOM 1060 CB MET B 55 32.897 12.224 -37.436 1.00 0.00 C ATOM 1061 CG MET B 55 31.679 11.995 -36.482 1.00 0.00 C ATOM 1062 SD MET B 55 31.066 10.244 -36.480 1.00 0.00 S ATOM 1063 CE MET B 55 32.550 9.397 -35.904 1.00 0.00 C ATOM 0 H MET B 55 33.649 13.307 -39.322 1.00 0.00 H new ATOM 0 HA MET B 55 32.047 14.241 -37.188 1.00 0.00 H new ATOM 0 HB2 MET B 55 32.713 11.835 -38.437 1.00 0.00 H new ATOM 0 HB3 MET B 55 33.803 11.741 -37.068 1.00 0.00 H new ATOM 0 HG2 MET B 55 31.964 12.274 -35.467 1.00 0.00 H new ATOM 0 HG3 MET B 55 30.865 12.657 -36.778 1.00 0.00 H new ATOM 0 HE1 MET B 55 32.323 8.346 -35.725 1.00 0.00 H new ATOM 0 HE2 MET B 55 33.331 9.476 -36.661 1.00 0.00 H new ATOM 0 HE3 MET B 55 32.895 9.857 -34.978 1.00 0.00 H new ATOM 1073 N ARG B 56 35.159 14.769 -36.584 1.00 0.00 N ATOM 1074 CA ARG B 56 36.174 15.428 -35.770 1.00 0.00 C ATOM 1075 C ARG B 56 35.769 16.839 -35.421 1.00 0.00 C ATOM 1076 O ARG B 56 36.198 17.415 -34.412 1.00 0.00 O ATOM 1077 CB ARG B 56 37.462 15.373 -36.552 1.00 0.00 C ATOM 1078 CG ARG B 56 38.697 15.163 -35.666 1.00 0.00 C ATOM 1079 CD ARG B 56 40.087 15.104 -36.247 1.00 0.00 C ATOM 1080 NE ARG B 56 40.304 13.835 -36.926 1.00 0.00 N ATOM 1081 CZ ARG B 56 41.380 13.085 -36.856 1.00 0.00 C ATOM 1082 NH1 ARG B 56 42.493 13.401 -36.259 1.00 0.00 N ATOM 1083 NH2 ARG B 56 41.329 11.954 -37.510 1.00 0.00 N ATOM 0 H ARG B 56 35.528 14.580 -37.516 1.00 0.00 H new ATOM 0 HA ARG B 56 36.299 14.922 -34.813 1.00 0.00 H new ATOM 0 HB2 ARG B 56 37.403 14.564 -37.280 1.00 0.00 H new ATOM 0 HB3 ARG B 56 37.579 16.300 -37.114 1.00 0.00 H new ATOM 0 HG2 ARG B 56 38.697 15.965 -34.928 1.00 0.00 H new ATOM 0 HG3 ARG B 56 38.542 14.231 -35.123 1.00 0.00 H new ATOM 0 HD2 ARG B 56 40.230 15.927 -36.948 1.00 0.00 H new ATOM 0 HD3 ARG B 56 40.824 15.229 -35.454 1.00 0.00 H new ATOM 0 HE ARG B 56 39.544 13.494 -37.515 1.00 0.00 H new ATOM 0 HH11 ARG B 56 42.582 14.302 -35.790 1.00 0.00 H new ATOM 0 HH12 ARG B 56 43.276 12.747 -36.260 1.00 0.00 H new ATOM 0 HH21 ARG B 56 40.489 11.704 -38.031 1.00 0.00 H new ATOM 0 HH22 ARG B 56 42.130 11.322 -37.499 1.00 0.00 H new ATOM 1097 N GLN B 57 34.941 17.449 -36.208 1.00 0.00 N ATOM 1098 CA GLN B 57 34.657 18.893 -36.089 1.00 0.00 C ATOM 1099 C GLN B 57 33.438 19.164 -35.215 1.00 0.00 C ATOM 1100 O GLN B 57 33.088 20.313 -34.967 1.00 0.00 O ATOM 1101 CB GLN B 57 34.543 19.671 -37.425 1.00 0.00 C ATOM 1102 CG GLN B 57 33.221 19.776 -38.252 1.00 0.00 C ATOM 1103 CD GLN B 57 33.482 20.181 -39.660 1.00 0.00 C ATOM 1104 OE1 GLN B 57 34.217 19.557 -40.420 1.00 0.00 O ATOM 1105 NE2 GLN B 57 32.782 21.149 -40.165 1.00 0.00 N ATOM 0 H GLN B 57 34.430 16.985 -36.959 1.00 0.00 H new ATOM 0 HA GLN B 57 35.551 19.285 -35.604 1.00 0.00 H new ATOM 0 HB2 GLN B 57 34.854 20.694 -37.212 1.00 0.00 H new ATOM 0 HB3 GLN B 57 35.290 19.244 -38.094 1.00 0.00 H new ATOM 0 HG2 GLN B 57 32.707 18.815 -38.239 1.00 0.00 H new ATOM 0 HG3 GLN B 57 32.555 20.500 -37.783 1.00 0.00 H new ATOM 0 HE21 GLN B 57 32.159 21.693 -39.568 1.00 0.00 H new ATOM 0 HE22 GLN B 57 32.855 21.366 -41.159 1.00 0.00 H new ATOM 1114 N ILE B 58 32.724 18.112 -34.720 1.00 0.00 N ATOM 1115 CA ILE B 58 31.378 18.238 -33.992 1.00 0.00 C ATOM 1116 C ILE B 58 31.410 17.530 -32.650 1.00 0.00 C ATOM 1117 O ILE B 58 32.115 16.527 -32.508 1.00 0.00 O ATOM 1118 CB ILE B 58 30.239 17.791 -34.957 1.00 0.00 C ATOM 1119 CG1 ILE B 58 30.645 16.540 -35.866 1.00 0.00 C ATOM 1120 CG2 ILE B 58 29.678 19.147 -35.723 1.00 0.00 C ATOM 1121 CD1 ILE B 58 29.507 15.703 -36.427 1.00 0.00 C ATOM 0 H ILE B 58 33.044 17.147 -34.802 1.00 0.00 H new ATOM 0 HA ILE B 58 31.171 19.276 -33.732 1.00 0.00 H new ATOM 0 HB ILE B 58 29.392 17.367 -34.417 1.00 0.00 H new ATOM 0 HG12 ILE B 58 31.241 16.906 -36.702 1.00 0.00 H new ATOM 0 HG13 ILE B 58 31.289 15.887 -35.277 1.00 0.00 H new ATOM 0 HG21 ILE B 58 28.877 18.872 -36.409 1.00 0.00 H new ATOM 0 HG22 ILE B 58 29.297 19.851 -34.983 1.00 0.00 H new ATOM 0 HG23 ILE B 58 30.490 19.612 -36.282 1.00 0.00 H new ATOM 0 HD11 ILE B 58 29.915 14.888 -37.024 1.00 0.00 H new ATOM 0 HD12 ILE B 58 28.918 15.292 -35.606 1.00 0.00 H new ATOM 0 HD13 ILE B 58 28.870 16.328 -37.053 1.00 0.00 H new ATOM 1133 N ARG B 59 30.684 18.041 -31.628 1.00 0.00 N ATOM 1134 CA ARG B 59 30.500 17.452 -30.270 1.00 0.00 C ATOM 1135 C ARG B 59 29.043 16.941 -30.163 1.00 0.00 C ATOM 1136 O ARG B 59 28.113 17.738 -30.059 1.00 0.00 O ATOM 1137 CB ARG B 59 30.903 18.418 -29.164 1.00 0.00 C ATOM 1138 CG ARG B 59 32.431 18.769 -29.333 1.00 0.00 C ATOM 1139 CD ARG B 59 33.432 17.606 -29.312 1.00 0.00 C ATOM 1140 NE ARG B 59 34.761 18.056 -29.633 1.00 0.00 N ATOM 1141 CZ ARG B 59 35.353 18.019 -30.818 1.00 0.00 C ATOM 1142 NH1 ARG B 59 34.787 17.487 -31.916 1.00 0.00 N ATOM 1143 NH2 ARG B 59 36.336 18.870 -30.976 1.00 0.00 N ATOM 0 H ARG B 59 30.182 18.923 -31.729 1.00 0.00 H new ATOM 0 HA ARG B 59 31.171 16.604 -30.131 1.00 0.00 H new ATOM 0 HB2 ARG B 59 30.299 19.324 -29.215 1.00 0.00 H new ATOM 0 HB3 ARG B 59 30.724 17.970 -28.187 1.00 0.00 H new ATOM 0 HG2 ARG B 59 32.552 19.300 -30.277 1.00 0.00 H new ATOM 0 HG3 ARG B 59 32.706 19.464 -28.540 1.00 0.00 H new ATOM 0 HD2 ARG B 59 33.431 17.140 -28.327 1.00 0.00 H new ATOM 0 HD3 ARG B 59 33.122 16.843 -30.026 1.00 0.00 H new ATOM 0 HE ARG B 59 35.307 18.446 -28.864 1.00 0.00 H new ATOM 0 HH11 ARG B 59 33.852 17.083 -31.863 1.00 0.00 H new ATOM 0 HH12 ARG B 59 35.293 17.488 -32.802 1.00 0.00 H new ATOM 0 HH21 ARG B 59 36.594 19.498 -30.215 1.00 0.00 H new ATOM 0 HH22 ARG B 59 36.843 18.905 -31.860 1.00 0.00 H new ATOM 1157 N PHE B 60 28.944 15.656 -30.200 1.00 0.00 N ATOM 1158 CA PHE B 60 27.649 14.995 -29.966 1.00 0.00 C ATOM 1159 C PHE B 60 27.411 14.937 -28.359 1.00 0.00 C ATOM 1160 O PHE B 60 28.343 14.492 -27.671 1.00 0.00 O ATOM 1161 CB PHE B 60 27.635 13.606 -30.564 1.00 0.00 C ATOM 1162 CG PHE B 60 27.616 13.530 -32.093 1.00 0.00 C ATOM 1163 CD1 PHE B 60 28.810 13.462 -32.810 1.00 0.00 C ATOM 1164 CD2 PHE B 60 26.402 13.460 -32.873 1.00 0.00 C ATOM 1165 CE1 PHE B 60 28.858 13.251 -34.163 1.00 0.00 C ATOM 1166 CE2 PHE B 60 26.447 13.294 -34.320 1.00 0.00 C ATOM 1167 CZ PHE B 60 27.691 13.083 -34.934 1.00 0.00 C ATOM 0 H PHE B 60 29.721 15.023 -30.386 1.00 0.00 H new ATOM 0 HA PHE B 60 26.847 15.555 -30.447 1.00 0.00 H new ATOM 0 HB2 PHE B 60 28.513 13.069 -30.205 1.00 0.00 H new ATOM 0 HB3 PHE B 60 26.761 13.078 -30.184 1.00 0.00 H new ATOM 0 HD1 PHE B 60 29.740 13.581 -32.274 1.00 0.00 H new ATOM 0 HD2 PHE B 60 25.446 13.532 -32.376 1.00 0.00 H new ATOM 0 HE1 PHE B 60 29.820 13.212 -34.653 1.00 0.00 H new ATOM 0 HE2 PHE B 60 25.542 13.333 -34.908 1.00 0.00 H new ATOM 0 HZ PHE B 60 27.752 12.798 -35.974 1.00 0.00 H new ATOM 1177 N ARG B 61 26.225 15.329 -27.853 1.00 0.00 N ATOM 1178 CA ARG B 61 25.974 15.365 -26.409 1.00 0.00 C ATOM 1179 C ARG B 61 24.580 14.984 -25.911 1.00 0.00 C ATOM 1180 O ARG B 61 23.575 14.909 -26.629 1.00 0.00 O ATOM 1181 CB ARG B 61 26.236 16.793 -25.911 1.00 0.00 C ATOM 1182 CG ARG B 61 27.615 17.518 -26.165 1.00 0.00 C ATOM 1183 CD ARG B 61 27.780 18.678 -25.221 1.00 0.00 C ATOM 1184 NE ARG B 61 28.810 19.637 -25.657 1.00 0.00 N ATOM 1185 CZ ARG B 61 28.722 20.967 -25.732 1.00 0.00 C ATOM 1186 NH1 ARG B 61 27.725 21.611 -25.334 1.00 0.00 N ATOM 1187 NH2 ARG B 61 29.702 21.641 -26.186 1.00 0.00 N ATOM 0 H ARG B 61 25.433 15.623 -28.424 1.00 0.00 H new ATOM 0 HA ARG B 61 26.641 14.597 -26.017 1.00 0.00 H new ATOM 0 HB2 ARG B 61 25.461 17.426 -26.344 1.00 0.00 H new ATOM 0 HB3 ARG B 61 26.076 16.786 -24.833 1.00 0.00 H new ATOM 0 HG2 ARG B 61 28.434 16.812 -26.030 1.00 0.00 H new ATOM 0 HG3 ARG B 61 27.664 17.870 -27.195 1.00 0.00 H new ATOM 0 HD2 ARG B 61 26.827 19.197 -25.123 1.00 0.00 H new ATOM 0 HD3 ARG B 61 28.040 18.300 -24.232 1.00 0.00 H new ATOM 0 HE ARG B 61 29.704 19.233 -25.937 1.00 0.00 H new ATOM 0 HH11 ARG B 61 26.929 21.119 -24.929 1.00 0.00 H new ATOM 0 HH12 ARG B 61 27.709 22.628 -25.415 1.00 0.00 H new ATOM 0 HH21 ARG B 61 30.551 21.165 -26.491 1.00 0.00 H new ATOM 0 HH22 ARG B 61 29.638 22.657 -26.245 1.00 0.00 H new ATOM 1201 N PHE B 62 24.512 14.786 -24.601 1.00 0.00 N ATOM 1202 CA PHE B 62 23.336 14.384 -23.820 1.00 0.00 C ATOM 1203 C PHE B 62 23.556 14.761 -22.346 1.00 0.00 C ATOM 1204 O PHE B 62 24.624 14.543 -21.771 1.00 0.00 O ATOM 1205 CB PHE B 62 22.939 12.920 -24.054 1.00 0.00 C ATOM 1206 CG PHE B 62 21.774 12.616 -23.185 1.00 0.00 C ATOM 1207 CD1 PHE B 62 21.994 12.146 -21.881 1.00 0.00 C ATOM 1208 CD2 PHE B 62 20.454 12.848 -23.727 1.00 0.00 C ATOM 1209 CE1 PHE B 62 20.896 11.740 -21.101 1.00 0.00 C ATOM 1210 CE2 PHE B 62 19.356 12.516 -22.851 1.00 0.00 C ATOM 1211 CZ PHE B 62 19.571 11.940 -21.601 1.00 0.00 C ATOM 0 H PHE B 62 25.333 14.909 -24.008 1.00 0.00 H new ATOM 0 HA PHE B 62 22.464 14.937 -24.169 1.00 0.00 H new ATOM 0 HB2 PHE B 62 22.686 12.757 -25.102 1.00 0.00 H new ATOM 0 HB3 PHE B 62 23.772 12.257 -23.820 1.00 0.00 H new ATOM 0 HD1 PHE B 62 22.996 12.097 -21.481 1.00 0.00 H new ATOM 0 HD2 PHE B 62 20.300 13.243 -24.720 1.00 0.00 H new ATOM 0 HE1 PHE B 62 21.052 11.282 -20.135 1.00 0.00 H new ATOM 0 HE2 PHE B 62 18.345 12.719 -23.172 1.00 0.00 H new ATOM 0 HZ PHE B 62 18.725 11.640 -21.001 1.00 0.00 H new ATOM 1221 N ASP B 63 22.502 15.320 -21.706 1.00 0.00 N ATOM 1222 CA ASP B 63 22.630 15.922 -20.401 1.00 0.00 C ATOM 1223 C ASP B 63 23.711 17.083 -20.312 1.00 0.00 C ATOM 1224 O ASP B 63 24.373 17.269 -19.300 1.00 0.00 O ATOM 1225 CB ASP B 63 22.968 14.987 -19.196 1.00 0.00 C ATOM 1226 CG ASP B 63 22.514 15.353 -17.793 1.00 0.00 C ATOM 1227 OD1 ASP B 63 21.837 16.366 -17.598 1.00 0.00 O ATOM 1228 OD2 ASP B 63 22.973 14.666 -16.825 1.00 0.00 O ATOM 0 H ASP B 63 21.559 15.356 -22.092 1.00 0.00 H new ATOM 0 HA ASP B 63 21.606 16.283 -20.303 1.00 0.00 H new ATOM 0 HB2 ASP B 63 22.554 14.005 -19.423 1.00 0.00 H new ATOM 0 HB3 ASP B 63 24.052 14.877 -19.166 1.00 0.00 H new ATOM 1233 N GLY B 64 24.009 17.778 -21.432 1.00 0.00 N ATOM 1234 CA GLY B 64 25.137 18.764 -21.498 1.00 0.00 C ATOM 1235 C GLY B 64 26.566 18.139 -21.541 1.00 0.00 C ATOM 1236 O GLY B 64 27.555 18.757 -21.875 1.00 0.00 O ATOM 0 H GLY B 64 23.492 17.683 -22.306 1.00 0.00 H new ATOM 0 HA2 GLY B 64 25.003 19.386 -22.383 1.00 0.00 H new ATOM 0 HA3 GLY B 64 25.073 19.424 -20.633 1.00 0.00 H new ATOM 1240 N GLN B 65 26.628 16.791 -21.276 1.00 0.00 N ATOM 1241 CA GLN B 65 27.874 16.040 -21.290 1.00 0.00 C ATOM 1242 C GLN B 65 28.139 15.345 -22.648 1.00 0.00 C ATOM 1243 O GLN B 65 27.203 15.007 -23.393 1.00 0.00 O ATOM 1244 CB GLN B 65 28.049 15.133 -20.109 1.00 0.00 C ATOM 1245 CG GLN B 65 27.698 15.827 -18.824 1.00 0.00 C ATOM 1246 CD GLN B 65 28.607 15.375 -17.643 1.00 0.00 C ATOM 1247 OE1 GLN B 65 29.279 14.378 -17.518 1.00 0.00 O ATOM 1248 NE2 GLN B 65 28.579 16.263 -16.568 1.00 0.00 N ATOM 0 H GLN B 65 25.809 16.226 -21.052 1.00 0.00 H new ATOM 0 HA GLN B 65 28.662 16.785 -21.179 1.00 0.00 H new ATOM 0 HB2 GLN B 65 27.421 14.251 -20.230 1.00 0.00 H new ATOM 0 HB3 GLN B 65 29.081 14.786 -20.066 1.00 0.00 H new ATOM 0 HG2 GLN B 65 27.790 16.905 -18.959 1.00 0.00 H new ATOM 0 HG3 GLN B 65 26.656 15.624 -18.576 1.00 0.00 H new ATOM 0 HE21 GLN B 65 28.026 17.118 -16.627 1.00 0.00 H new ATOM 0 HE22 GLN B 65 29.112 16.057 -15.723 1.00 0.00 H new ATOM 1257 N PRO B 66 29.403 15.133 -23.162 1.00 0.00 N ATOM 1258 CA PRO B 66 29.765 14.373 -24.368 1.00 0.00 C ATOM 1259 C PRO B 66 29.402 12.920 -24.293 1.00 0.00 C ATOM 1260 O PRO B 66 29.435 12.306 -23.158 1.00 0.00 O ATOM 1261 CB PRO B 66 31.231 14.586 -24.466 1.00 0.00 C ATOM 1262 CG PRO B 66 31.701 15.011 -23.112 1.00 0.00 C ATOM 1263 CD PRO B 66 30.567 15.735 -22.512 1.00 0.00 C ATOM 0 HA PRO B 66 29.218 14.711 -25.248 1.00 0.00 H new ATOM 0 HB2 PRO B 66 31.734 13.671 -24.779 1.00 0.00 H new ATOM 0 HB3 PRO B 66 31.461 15.348 -25.211 1.00 0.00 H new ATOM 0 HG2 PRO B 66 31.982 14.150 -22.506 1.00 0.00 H new ATOM 0 HG3 PRO B 66 32.581 15.650 -23.185 1.00 0.00 H new ATOM 0 HD2 PRO B 66 30.535 15.607 -21.430 1.00 0.00 H new ATOM 0 HD3 PRO B 66 30.626 16.806 -22.704 1.00 0.00 H new ATOM 1271 N ILE B 67 29.074 12.370 -25.481 1.00 0.00 N ATOM 1272 CA ILE B 67 28.840 10.917 -25.719 1.00 0.00 C ATOM 1273 C ILE B 67 30.145 10.209 -25.918 1.00 0.00 C ATOM 1274 O ILE B 67 31.158 10.765 -26.291 1.00 0.00 O ATOM 1275 CB ILE B 67 27.831 10.735 -26.879 1.00 0.00 C ATOM 1276 CG1 ILE B 67 26.418 10.995 -26.214 1.00 0.00 C ATOM 1277 CG2 ILE B 67 27.959 9.368 -27.491 1.00 0.00 C ATOM 1278 CD1 ILE B 67 25.247 11.199 -27.168 1.00 0.00 C ATOM 0 H ILE B 67 28.960 12.931 -26.325 1.00 0.00 H new ATOM 0 HA ILE B 67 28.385 10.452 -24.845 1.00 0.00 H new ATOM 0 HB ILE B 67 28.001 11.419 -27.710 1.00 0.00 H new ATOM 0 HG12 ILE B 67 26.186 10.151 -25.564 1.00 0.00 H new ATOM 0 HG13 ILE B 67 26.497 11.876 -25.577 1.00 0.00 H new ATOM 0 HG21 ILE B 67 27.240 9.264 -28.304 1.00 0.00 H new ATOM 0 HG22 ILE B 67 28.968 9.237 -27.881 1.00 0.00 H new ATOM 0 HG23 ILE B 67 27.762 8.610 -26.733 1.00 0.00 H new ATOM 0 HD11 ILE B 67 24.336 11.368 -26.594 1.00 0.00 H new ATOM 0 HD12 ILE B 67 25.441 12.063 -27.803 1.00 0.00 H new ATOM 0 HD13 ILE B 67 25.125 10.312 -27.790 1.00 0.00 H new ATOM 1290 N ASN B 68 30.135 8.958 -25.530 1.00 0.00 N ATOM 1291 CA ASN B 68 31.152 7.923 -25.789 1.00 0.00 C ATOM 1292 C ASN B 68 30.845 6.809 -26.810 1.00 0.00 C ATOM 1293 O ASN B 68 29.623 6.516 -26.919 1.00 0.00 O ATOM 1294 CB ASN B 68 31.443 7.184 -24.503 1.00 0.00 C ATOM 1295 CG ASN B 68 31.871 8.132 -23.359 1.00 0.00 C ATOM 1296 OD1 ASN B 68 32.944 8.543 -23.181 1.00 0.00 O ATOM 1297 ND2 ASN B 68 30.860 8.687 -22.679 1.00 0.00 N ATOM 0 H ASN B 68 29.360 8.589 -24.979 1.00 0.00 H new ATOM 0 HA ASN B 68 31.963 8.516 -26.213 1.00 0.00 H new ATOM 0 HB2 ASN B 68 30.556 6.629 -24.198 1.00 0.00 H new ATOM 0 HB3 ASN B 68 32.232 6.452 -24.679 1.00 0.00 H new ATOM 0 HD21 ASN B 68 31.042 9.449 -22.026 1.00 0.00 H new ATOM 0 HD22 ASN B 68 29.908 8.348 -22.814 1.00 0.00 H new ATOM 1304 N GLU B 69 31.850 6.133 -27.345 1.00 0.00 N ATOM 1305 CA GLU B 69 31.643 5.040 -28.317 1.00 0.00 C ATOM 1306 C GLU B 69 30.809 3.847 -27.852 1.00 0.00 C ATOM 1307 O GLU B 69 30.301 3.069 -28.679 1.00 0.00 O ATOM 1308 CB GLU B 69 32.997 4.621 -28.889 1.00 0.00 C ATOM 1309 CG GLU B 69 33.776 5.805 -29.520 1.00 0.00 C ATOM 1310 CD GLU B 69 34.966 5.342 -30.196 1.00 0.00 C ATOM 1311 OE1 GLU B 69 34.986 4.746 -31.287 1.00 0.00 O ATOM 1312 OE2 GLU B 69 36.081 5.631 -29.575 1.00 0.00 O ATOM 0 H GLU B 69 32.830 6.315 -27.128 1.00 0.00 H new ATOM 0 HA GLU B 69 31.006 5.458 -29.097 1.00 0.00 H new ATOM 0 HB2 GLU B 69 33.599 4.177 -28.096 1.00 0.00 H new ATOM 0 HB3 GLU B 69 32.844 3.849 -29.644 1.00 0.00 H new ATOM 0 HG2 GLU B 69 33.134 6.332 -30.226 1.00 0.00 H new ATOM 0 HG3 GLU B 69 34.049 6.520 -28.744 1.00 0.00 H new ATOM 1319 N THR B 70 30.789 3.665 -26.520 1.00 0.00 N ATOM 1320 CA THR B 70 30.040 2.566 -25.854 1.00 0.00 C ATOM 1321 C THR B 70 28.624 2.895 -25.378 1.00 0.00 C ATOM 1322 O THR B 70 27.894 2.048 -24.881 1.00 0.00 O ATOM 1323 CB THR B 70 30.953 2.130 -24.683 1.00 0.00 C ATOM 1324 OG1 THR B 70 31.454 3.180 -23.889 1.00 0.00 O ATOM 1325 CG2 THR B 70 32.173 1.299 -25.133 1.00 0.00 C ATOM 0 H THR B 70 31.288 4.271 -25.869 1.00 0.00 H new ATOM 0 HA THR B 70 29.843 1.778 -26.581 1.00 0.00 H new ATOM 0 HB THR B 70 30.268 1.528 -24.086 1.00 0.00 H new ATOM 0 HG1 THR B 70 32.017 2.811 -23.176 1.00 0.00 H new ATOM 0 HG21 THR B 70 32.769 1.027 -24.262 1.00 0.00 H new ATOM 0 HG22 THR B 70 31.831 0.394 -25.636 1.00 0.00 H new ATOM 0 HG23 THR B 70 32.781 1.888 -25.820 1.00 0.00 H new ATOM 1333 N ASP B 71 28.334 4.181 -25.275 1.00 0.00 N ATOM 1334 CA ASP B 71 26.987 4.656 -24.728 1.00 0.00 C ATOM 1335 C ASP B 71 25.735 4.149 -25.539 1.00 0.00 C ATOM 1336 O ASP B 71 25.614 4.297 -26.774 1.00 0.00 O ATOM 1337 CB ASP B 71 26.956 6.229 -24.657 1.00 0.00 C ATOM 1338 CG ASP B 71 27.932 6.853 -23.605 1.00 0.00 C ATOM 1339 OD1 ASP B 71 28.342 6.141 -22.667 1.00 0.00 O ATOM 1340 OD2 ASP B 71 28.265 8.058 -23.659 1.00 0.00 O ATOM 0 H ASP B 71 28.969 4.932 -25.545 1.00 0.00 H new ATOM 0 HA ASP B 71 26.907 4.216 -23.734 1.00 0.00 H new ATOM 0 HB2 ASP B 71 27.200 6.629 -25.641 1.00 0.00 H new ATOM 0 HB3 ASP B 71 25.940 6.549 -24.425 1.00 0.00 H new ATOM 1345 N THR B 72 24.801 3.628 -24.744 1.00 0.00 N ATOM 1346 CA THR B 72 23.429 3.272 -25.050 1.00 0.00 C ATOM 1347 C THR B 72 22.382 4.105 -24.291 1.00 0.00 C ATOM 1348 O THR B 72 22.685 4.662 -23.225 1.00 0.00 O ATOM 1349 CB THR B 72 23.202 1.789 -24.699 1.00 0.00 C ATOM 1350 OG1 THR B 72 23.245 1.491 -23.325 1.00 0.00 O ATOM 1351 CG2 THR B 72 24.147 0.823 -25.446 1.00 0.00 C ATOM 0 H THR B 72 25.017 3.426 -23.768 1.00 0.00 H new ATOM 0 HA THR B 72 23.294 3.472 -26.113 1.00 0.00 H new ATOM 0 HB THR B 72 22.180 1.627 -25.042 1.00 0.00 H new ATOM 0 HG1 THR B 72 23.090 0.532 -23.193 1.00 0.00 H new ATOM 0 HG21 THR B 72 23.928 -0.203 -25.148 1.00 0.00 H new ATOM 0 HG22 THR B 72 23.999 0.928 -26.521 1.00 0.00 H new ATOM 0 HG23 THR B 72 25.181 1.061 -25.197 1.00 0.00 H new ATOM 1359 N PRO B 73 21.124 4.180 -24.759 1.00 0.00 N ATOM 1360 CA PRO B 73 20.018 4.693 -24.022 1.00 0.00 C ATOM 1361 C PRO B 73 19.740 4.049 -22.615 1.00 0.00 C ATOM 1362 O PRO B 73 19.308 4.788 -21.694 1.00 0.00 O ATOM 1363 CB PRO B 73 18.734 4.458 -24.868 1.00 0.00 C ATOM 1364 CG PRO B 73 19.226 4.207 -26.316 1.00 0.00 C ATOM 1365 CD PRO B 73 20.643 3.673 -26.107 1.00 0.00 C ATOM 0 HA PRO B 73 20.274 5.736 -23.834 1.00 0.00 H new ATOM 0 HB2 PRO B 73 18.169 3.605 -24.493 1.00 0.00 H new ATOM 0 HB3 PRO B 73 18.072 5.323 -24.824 1.00 0.00 H new ATOM 0 HG2 PRO B 73 18.596 3.487 -26.838 1.00 0.00 H new ATOM 0 HG3 PRO B 73 19.222 5.122 -26.908 1.00 0.00 H new ATOM 0 HD2 PRO B 73 20.650 2.583 -26.132 1.00 0.00 H new ATOM 0 HD3 PRO B 73 21.304 4.015 -26.904 1.00 0.00 H new ATOM 1373 N ALA B 74 20.047 2.782 -22.438 1.00 0.00 N ATOM 1374 CA ALA B 74 20.157 2.197 -21.094 1.00 0.00 C ATOM 1375 C ALA B 74 21.156 2.967 -20.265 1.00 0.00 C ATOM 1376 O ALA B 74 20.799 3.560 -19.245 1.00 0.00 O ATOM 1377 CB ALA B 74 20.490 0.695 -21.137 1.00 0.00 C ATOM 0 H ALA B 74 20.227 2.127 -23.199 1.00 0.00 H new ATOM 0 HA ALA B 74 19.181 2.279 -20.616 1.00 0.00 H new ATOM 0 HB1 ALA B 74 20.561 0.309 -20.120 1.00 0.00 H new ATOM 0 HB2 ALA B 74 19.704 0.163 -21.673 1.00 0.00 H new ATOM 0 HB3 ALA B 74 21.441 0.548 -21.648 1.00 0.00 H new ATOM 1383 N GLN B 75 22.452 2.956 -20.599 1.00 0.00 N ATOM 1384 CA GLN B 75 23.606 3.604 -19.916 1.00 0.00 C ATOM 1385 C GLN B 75 23.413 5.044 -19.525 1.00 0.00 C ATOM 1386 O GLN B 75 23.880 5.433 -18.458 1.00 0.00 O ATOM 1387 CB GLN B 75 24.906 3.401 -20.711 1.00 0.00 C ATOM 1388 CG GLN B 75 26.198 3.691 -19.857 1.00 0.00 C ATOM 1389 CD GLN B 75 26.537 2.656 -18.789 1.00 0.00 C ATOM 1390 OE1 GLN B 75 25.836 1.722 -18.377 1.00 0.00 O ATOM 1391 NE2 GLN B 75 27.716 2.752 -18.318 1.00 0.00 N ATOM 0 H GLN B 75 22.761 2.450 -21.429 1.00 0.00 H new ATOM 0 HA GLN B 75 23.683 3.084 -18.961 1.00 0.00 H new ATOM 0 HB2 GLN B 75 24.944 2.376 -21.081 1.00 0.00 H new ATOM 0 HB3 GLN B 75 24.899 4.055 -21.583 1.00 0.00 H new ATOM 0 HG2 GLN B 75 27.047 3.776 -20.535 1.00 0.00 H new ATOM 0 HG3 GLN B 75 26.079 4.660 -19.372 1.00 0.00 H new ATOM 0 HE21 GLN B 75 28.329 3.506 -18.628 1.00 0.00 H new ATOM 0 HE22 GLN B 75 28.047 2.075 -17.630 1.00 0.00 H new ATOM 1400 N LEU B 76 22.674 5.792 -20.415 1.00 0.00 N ATOM 1401 CA LEU B 76 22.263 7.218 -20.212 1.00 0.00 C ATOM 1402 C LEU B 76 20.857 7.333 -19.572 1.00 0.00 C ATOM 1403 O LEU B 76 20.354 8.428 -19.450 1.00 0.00 O ATOM 1404 CB LEU B 76 22.454 7.800 -21.653 1.00 0.00 C ATOM 1405 CG LEU B 76 23.933 7.626 -22.179 1.00 0.00 C ATOM 1406 CD1 LEU B 76 24.138 8.598 -23.360 1.00 0.00 C ATOM 1407 CD2 LEU B 76 25.049 7.949 -21.087 1.00 0.00 C ATOM 0 H LEU B 76 22.346 5.410 -21.302 1.00 0.00 H new ATOM 0 HA LEU B 76 22.841 7.790 -19.486 1.00 0.00 H new ATOM 0 HB2 LEU B 76 21.767 7.303 -22.337 1.00 0.00 H new ATOM 0 HB3 LEU B 76 22.193 8.858 -21.652 1.00 0.00 H new ATOM 0 HG LEU B 76 24.048 6.579 -22.460 1.00 0.00 H new ATOM 0 HD11 LEU B 76 25.154 8.497 -23.742 1.00 0.00 H new ATOM 0 HD12 LEU B 76 23.427 8.363 -24.152 1.00 0.00 H new ATOM 0 HD13 LEU B 76 23.978 9.621 -23.021 1.00 0.00 H new ATOM 0 HD21 LEU B 76 26.037 7.807 -21.524 1.00 0.00 H new ATOM 0 HD22 LEU B 76 24.945 8.982 -20.754 1.00 0.00 H new ATOM 0 HD23 LEU B 76 24.929 7.280 -20.235 1.00 0.00 H new ATOM 1419 N GLU B 77 20.245 6.228 -19.195 1.00 0.00 N ATOM 1420 CA GLU B 77 18.831 6.181 -18.669 1.00 0.00 C ATOM 1421 C GLU B 77 17.756 6.918 -19.482 1.00 0.00 C ATOM 1422 O GLU B 77 16.698 7.321 -18.956 1.00 0.00 O ATOM 1423 CB GLU B 77 18.831 6.474 -17.141 1.00 0.00 C ATOM 1424 CG GLU B 77 19.853 5.771 -16.318 1.00 0.00 C ATOM 1425 CD GLU B 77 19.584 4.286 -16.221 1.00 0.00 C ATOM 1426 OE1 GLU B 77 18.614 3.681 -16.764 1.00 0.00 O ATOM 1427 OE2 GLU B 77 20.371 3.620 -15.517 1.00 0.00 O ATOM 0 H GLU B 77 20.691 5.311 -19.233 1.00 0.00 H new ATOM 0 HA GLU B 77 18.485 5.159 -18.822 1.00 0.00 H new ATOM 0 HB2 GLU B 77 18.964 7.547 -17.002 1.00 0.00 H new ATOM 0 HB3 GLU B 77 17.847 6.221 -16.748 1.00 0.00 H new ATOM 0 HG2 GLU B 77 20.840 5.932 -16.751 1.00 0.00 H new ATOM 0 HG3 GLU B 77 19.870 6.202 -15.317 1.00 0.00 H new ATOM 1434 N MET B 78 18.059 7.166 -20.777 1.00 0.00 N ATOM 1435 CA MET B 78 17.106 7.893 -21.599 1.00 0.00 C ATOM 1436 C MET B 78 15.614 7.527 -21.556 1.00 0.00 C ATOM 1437 O MET B 78 15.214 6.368 -21.446 1.00 0.00 O ATOM 1438 CB MET B 78 17.676 7.777 -23.019 1.00 0.00 C ATOM 1439 CG MET B 78 18.863 8.691 -23.353 1.00 0.00 C ATOM 1440 SD MET B 78 19.640 8.281 -24.963 1.00 0.00 S ATOM 1441 CE MET B 78 20.492 9.931 -25.224 1.00 0.00 C ATOM 0 H MET B 78 18.920 6.882 -21.245 1.00 0.00 H new ATOM 0 HA MET B 78 17.036 8.900 -21.188 1.00 0.00 H new ATOM 0 HB2 MET B 78 17.984 6.744 -23.181 1.00 0.00 H new ATOM 0 HB3 MET B 78 16.874 7.985 -23.727 1.00 0.00 H new ATOM 0 HG2 MET B 78 18.525 9.727 -23.371 1.00 0.00 H new ATOM 0 HG3 MET B 78 19.610 8.613 -22.563 1.00 0.00 H new ATOM 0 HE1 MET B 78 21.097 9.889 -26.130 1.00 0.00 H new ATOM 0 HE2 MET B 78 19.742 10.716 -25.325 1.00 0.00 H new ATOM 0 HE3 MET B 78 21.132 10.149 -24.369 1.00 0.00 H new ATOM 1451 N GLU B 79 14.795 8.527 -21.779 1.00 0.00 N ATOM 1452 CA GLU B 79 13.391 8.441 -22.015 1.00 0.00 C ATOM 1453 C GLU B 79 13.100 8.383 -23.561 1.00 0.00 C ATOM 1454 O GLU B 79 13.832 8.951 -24.339 1.00 0.00 O ATOM 1455 CB GLU B 79 12.718 9.755 -21.431 1.00 0.00 C ATOM 1456 CG GLU B 79 12.715 9.878 -19.939 1.00 0.00 C ATOM 1457 CD GLU B 79 11.713 8.981 -19.201 1.00 0.00 C ATOM 1458 OE1 GLU B 79 11.243 7.919 -19.657 1.00 0.00 O ATOM 1459 OE2 GLU B 79 11.485 9.277 -18.023 1.00 0.00 O ATOM 0 H GLU B 79 15.128 9.491 -21.800 1.00 0.00 H new ATOM 0 HA GLU B 79 12.995 7.543 -21.541 1.00 0.00 H new ATOM 0 HB2 GLU B 79 13.234 10.620 -21.847 1.00 0.00 H new ATOM 0 HB3 GLU B 79 11.687 9.799 -21.782 1.00 0.00 H new ATOM 0 HG2 GLU B 79 13.716 9.652 -19.572 1.00 0.00 H new ATOM 0 HG3 GLU B 79 12.507 10.916 -19.678 1.00 0.00 H new ATOM 1466 N ASP B 80 11.891 7.987 -23.938 1.00 0.00 N ATOM 1467 CA ASP B 80 11.449 8.074 -25.339 1.00 0.00 C ATOM 1468 C ASP B 80 11.279 9.553 -25.881 1.00 0.00 C ATOM 1469 O ASP B 80 11.024 10.533 -25.203 1.00 0.00 O ATOM 1470 CB ASP B 80 10.221 7.165 -25.449 1.00 0.00 C ATOM 1471 CG ASP B 80 9.963 6.406 -26.800 1.00 0.00 C ATOM 1472 OD1 ASP B 80 10.658 6.774 -27.776 1.00 0.00 O ATOM 1473 OD2 ASP B 80 9.007 5.608 -26.892 1.00 0.00 O ATOM 0 H ASP B 80 11.194 7.602 -23.300 1.00 0.00 H new ATOM 0 HA ASP B 80 12.221 7.718 -26.021 1.00 0.00 H new ATOM 0 HB2 ASP B 80 10.291 6.418 -24.658 1.00 0.00 H new ATOM 0 HB3 ASP B 80 9.341 7.772 -25.237 1.00 0.00 H new ATOM 1478 N GLU B 81 11.285 9.662 -27.217 1.00 0.00 N ATOM 1479 CA GLU B 81 10.819 10.812 -27.956 1.00 0.00 C ATOM 1480 C GLU B 81 11.451 12.111 -27.714 1.00 0.00 C ATOM 1481 O GLU B 81 10.937 13.212 -27.679 1.00 0.00 O ATOM 1482 CB GLU B 81 9.332 10.923 -27.762 1.00 0.00 C ATOM 1483 CG GLU B 81 8.534 9.652 -27.839 1.00 0.00 C ATOM 1484 CD GLU B 81 7.000 9.679 -27.721 1.00 0.00 C ATOM 1485 OE1 GLU B 81 6.523 10.505 -26.867 1.00 0.00 O ATOM 1486 OE2 GLU B 81 6.401 8.756 -28.239 1.00 0.00 O ATOM 0 H GLU B 81 11.630 8.917 -27.822 1.00 0.00 H new ATOM 0 HA GLU B 81 11.118 10.602 -28.983 1.00 0.00 H new ATOM 0 HB2 GLU B 81 9.151 11.377 -26.788 1.00 0.00 H new ATOM 0 HB3 GLU B 81 8.944 11.612 -28.512 1.00 0.00 H new ATOM 0 HG2 GLU B 81 8.774 9.180 -28.792 1.00 0.00 H new ATOM 0 HG3 GLU B 81 8.904 8.993 -27.054 1.00 0.00 H new ATOM 1493 N ASP B 82 12.788 12.096 -27.659 1.00 0.00 N ATOM 1494 CA ASP B 82 13.727 13.090 -27.109 1.00 0.00 C ATOM 1495 C ASP B 82 14.882 13.403 -28.152 1.00 0.00 C ATOM 1496 O ASP B 82 14.962 12.783 -29.202 1.00 0.00 O ATOM 1497 CB ASP B 82 14.320 12.646 -25.773 1.00 0.00 C ATOM 1498 CG ASP B 82 14.748 13.792 -24.854 1.00 0.00 C ATOM 1499 OD1 ASP B 82 14.596 14.987 -25.300 1.00 0.00 O ATOM 1500 OD2 ASP B 82 15.196 13.552 -23.711 1.00 0.00 O ATOM 0 H ASP B 82 13.298 11.299 -28.041 1.00 0.00 H new ATOM 0 HA ASP B 82 13.159 14.002 -26.924 1.00 0.00 H new ATOM 0 HB2 ASP B 82 13.586 12.033 -25.250 1.00 0.00 H new ATOM 0 HB3 ASP B 82 15.185 12.011 -25.967 1.00 0.00 H new ATOM 1505 N THR B 83 15.755 14.356 -27.873 1.00 0.00 N ATOM 1506 CA THR B 83 16.799 14.868 -28.760 1.00 0.00 C ATOM 1507 C THR B 83 18.216 14.638 -28.171 1.00 0.00 C ATOM 1508 O THR B 83 18.466 15.081 -27.060 1.00 0.00 O ATOM 1509 CB THR B 83 16.602 16.338 -29.063 1.00 0.00 C ATOM 1510 OG1 THR B 83 15.331 16.446 -29.601 1.00 0.00 O ATOM 1511 CG2 THR B 83 17.519 17.027 -29.991 1.00 0.00 C ATOM 0 H THR B 83 15.758 14.825 -26.967 1.00 0.00 H new ATOM 0 HA THR B 83 16.717 14.308 -29.691 1.00 0.00 H new ATOM 0 HB THR B 83 16.796 16.834 -28.112 1.00 0.00 H new ATOM 0 HG1 THR B 83 15.146 17.384 -29.817 1.00 0.00 H new ATOM 0 HG21 THR B 83 17.224 18.072 -30.085 1.00 0.00 H new ATOM 0 HG22 THR B 83 18.537 16.971 -29.605 1.00 0.00 H new ATOM 0 HG23 THR B 83 17.475 16.548 -30.969 1.00 0.00 H new ATOM 1519 N ILE B 84 19.130 14.295 -29.079 1.00 0.00 N ATOM 1520 CA ILE B 84 20.563 14.493 -28.994 1.00 0.00 C ATOM 1521 C ILE B 84 21.043 15.738 -29.727 1.00 0.00 C ATOM 1522 O ILE B 84 20.809 15.926 -30.902 1.00 0.00 O ATOM 1523 CB ILE B 84 21.216 13.176 -29.464 1.00 0.00 C ATOM 1524 CG1 ILE B 84 20.774 11.908 -28.706 1.00 0.00 C ATOM 1525 CG2 ILE B 84 22.741 13.306 -29.622 1.00 0.00 C ATOM 1526 CD1 ILE B 84 20.851 10.579 -29.497 1.00 0.00 C ATOM 0 H ILE B 84 18.862 13.840 -29.952 1.00 0.00 H new ATOM 0 HA ILE B 84 20.867 14.702 -27.968 1.00 0.00 H new ATOM 0 HB ILE B 84 20.811 13.010 -30.462 1.00 0.00 H new ATOM 0 HG12 ILE B 84 21.390 11.811 -27.812 1.00 0.00 H new ATOM 0 HG13 ILE B 84 19.746 12.049 -28.372 1.00 0.00 H new ATOM 0 HG21 ILE B 84 23.155 12.354 -29.954 1.00 0.00 H new ATOM 0 HG22 ILE B 84 22.966 14.077 -30.359 1.00 0.00 H new ATOM 0 HG23 ILE B 84 23.184 13.580 -28.664 1.00 0.00 H new ATOM 0 HD11 ILE B 84 20.516 9.758 -28.863 1.00 0.00 H new ATOM 0 HD12 ILE B 84 20.211 10.642 -30.377 1.00 0.00 H new ATOM 0 HD13 ILE B 84 21.880 10.400 -29.809 1.00 0.00 H new ATOM 1538 N ASP B 85 21.892 16.559 -29.041 1.00 0.00 N ATOM 1539 CA ASP B 85 22.465 17.811 -29.565 1.00 0.00 C ATOM 1540 C ASP B 85 23.895 17.677 -30.121 1.00 0.00 C ATOM 1541 O ASP B 85 24.664 16.899 -29.551 1.00 0.00 O ATOM 1542 CB ASP B 85 22.486 18.816 -28.431 1.00 0.00 C ATOM 1543 CG ASP B 85 21.147 19.483 -28.087 1.00 0.00 C ATOM 1544 OD1 ASP B 85 20.680 20.185 -29.012 1.00 0.00 O ATOM 1545 OD2 ASP B 85 20.791 19.535 -26.877 1.00 0.00 O ATOM 0 H ASP B 85 22.196 16.353 -28.089 1.00 0.00 H new ATOM 0 HA ASP B 85 21.841 18.120 -30.403 1.00 0.00 H new ATOM 0 HB2 ASP B 85 22.858 18.315 -27.537 1.00 0.00 H new ATOM 0 HB3 ASP B 85 23.203 19.598 -28.680 1.00 0.00 H new ATOM 1550 N VAL B 86 24.181 18.393 -31.225 1.00 0.00 N ATOM 1551 CA VAL B 86 25.454 18.428 -31.969 1.00 0.00 C ATOM 1552 C VAL B 86 25.871 19.900 -32.105 1.00 0.00 C ATOM 1553 O VAL B 86 25.052 20.756 -32.335 1.00 0.00 O ATOM 1554 CB VAL B 86 25.288 17.779 -33.354 1.00 0.00 C ATOM 1555 CG1 VAL B 86 26.682 17.437 -33.994 1.00 0.00 C ATOM 1556 CG2 VAL B 86 24.603 16.396 -33.327 1.00 0.00 C ATOM 0 H VAL B 86 23.482 19.003 -31.649 1.00 0.00 H new ATOM 0 HA VAL B 86 26.222 17.865 -31.438 1.00 0.00 H new ATOM 0 HB VAL B 86 24.700 18.517 -33.899 1.00 0.00 H new ATOM 0 HG11 VAL B 86 26.531 16.980 -34.972 1.00 0.00 H new ATOM 0 HG12 VAL B 86 27.265 18.351 -34.107 1.00 0.00 H new ATOM 0 HG13 VAL B 86 27.219 16.742 -33.348 1.00 0.00 H new ATOM 0 HG21 VAL B 86 24.525 16.009 -34.343 1.00 0.00 H new ATOM 0 HG22 VAL B 86 25.194 15.709 -32.721 1.00 0.00 H new ATOM 0 HG23 VAL B 86 23.606 16.492 -32.898 1.00 0.00 H new ATOM 1566 N PHE B 87 27.161 20.241 -31.977 1.00 0.00 N ATOM 1567 CA PHE B 87 27.672 21.616 -31.823 1.00 0.00 C ATOM 1568 C PHE B 87 28.898 21.723 -32.853 1.00 0.00 C ATOM 1569 O PHE B 87 29.799 20.876 -32.819 1.00 0.00 O ATOM 1570 CB PHE B 87 28.114 21.837 -30.391 1.00 0.00 C ATOM 1571 CG PHE B 87 27.021 21.941 -29.342 1.00 0.00 C ATOM 1572 CD1 PHE B 87 26.512 20.723 -28.784 1.00 0.00 C ATOM 1573 CD2 PHE B 87 26.354 23.101 -28.850 1.00 0.00 C ATOM 1574 CE1 PHE B 87 25.441 20.653 -27.880 1.00 0.00 C ATOM 1575 CE2 PHE B 87 25.284 23.035 -27.967 1.00 0.00 C ATOM 1576 CZ PHE B 87 24.774 21.854 -27.516 1.00 0.00 C ATOM 0 H PHE B 87 27.906 19.544 -31.978 1.00 0.00 H new ATOM 0 HA PHE B 87 26.921 22.378 -32.034 1.00 0.00 H new ATOM 0 HB2 PHE B 87 28.776 21.018 -30.110 1.00 0.00 H new ATOM 0 HB3 PHE B 87 28.706 22.752 -30.356 1.00 0.00 H new ATOM 0 HD1 PHE B 87 26.984 19.797 -29.079 1.00 0.00 H new ATOM 0 HD2 PHE B 87 26.695 24.072 -29.178 1.00 0.00 H new ATOM 0 HE1 PHE B 87 25.129 19.704 -27.469 1.00 0.00 H new ATOM 0 HE2 PHE B 87 24.838 23.957 -27.624 1.00 0.00 H new ATOM 0 HZ PHE B 87 23.888 21.832 -26.899 1.00 0.00 H new ATOM 1586 N GLN B 88 28.993 22.748 -33.674 1.00 0.00 N ATOM 1587 CA GLN B 88 30.106 22.980 -34.551 1.00 0.00 C ATOM 1588 C GLN B 88 31.319 23.507 -33.730 1.00 0.00 C ATOM 1589 O GLN B 88 31.113 24.135 -32.719 1.00 0.00 O ATOM 1590 CB GLN B 88 29.699 23.832 -35.764 1.00 0.00 C ATOM 1591 CG GLN B 88 28.874 23.116 -36.832 1.00 0.00 C ATOM 1592 CD GLN B 88 29.629 22.448 -37.946 1.00 0.00 C ATOM 1593 OE1 GLN B 88 30.825 22.509 -38.232 1.00 0.00 O ATOM 1594 NE2 GLN B 88 28.892 21.630 -38.727 1.00 0.00 N ATOM 0 H GLN B 88 28.269 23.463 -33.746 1.00 0.00 H new ATOM 0 HA GLN B 88 30.440 22.044 -34.998 1.00 0.00 H new ATOM 0 HB2 GLN B 88 29.130 24.690 -35.407 1.00 0.00 H new ATOM 0 HB3 GLN B 88 30.604 24.221 -36.231 1.00 0.00 H new ATOM 0 HG2 GLN B 88 28.263 22.361 -36.338 1.00 0.00 H new ATOM 0 HG3 GLN B 88 28.190 23.841 -37.274 1.00 0.00 H new ATOM 0 HE21 GLN B 88 27.892 21.525 -38.555 1.00 0.00 H new ATOM 0 HE22 GLN B 88 29.335 21.117 -39.489 1.00 0.00 H new ATOM 1603 N GLN B 89 32.600 23.303 -34.078 1.00 0.00 N ATOM 1604 CA GLN B 89 33.798 23.656 -33.325 1.00 0.00 C ATOM 1605 C GLN B 89 34.627 24.676 -34.029 1.00 0.00 C ATOM 1606 O GLN B 89 35.646 24.306 -34.665 1.00 0.00 O ATOM 1607 CB GLN B 89 34.601 22.392 -33.002 1.00 0.00 C ATOM 1608 CG GLN B 89 34.001 21.370 -31.995 1.00 0.00 C ATOM 1609 CD GLN B 89 33.423 21.882 -30.715 1.00 0.00 C ATOM 1610 OE1 GLN B 89 32.299 22.537 -30.714 1.00 0.00 O flip ATOM 1611 NE2 GLN B 89 33.992 21.775 -29.661 1.00 0.00 N flip ATOM 0 H GLN B 89 32.835 22.852 -34.962 1.00 0.00 H new ATOM 0 HA GLN B 89 33.486 24.118 -32.388 1.00 0.00 H new ATOM 0 HB2 GLN B 89 34.783 21.866 -33.939 1.00 0.00 H new ATOM 0 HB3 GLN B 89 35.572 22.705 -32.618 1.00 0.00 H new ATOM 0 HG2 GLN B 89 33.219 20.815 -32.513 1.00 0.00 H new ATOM 0 HG3 GLN B 89 34.784 20.656 -31.742 1.00 0.00 H new ATOM 0 HE21 GLN B 89 34.877 21.271 -29.608 1.00 0.00 H new ATOM 0 HE22 GLN B 89 33.590 22.189 -28.820 1.00 0.00 H new