USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=13 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= 0.0711 X(o=0.11,f=-0.1) USER MOD Set 1.2: B 88 GLN : amide:sc= 0.0402 K(o=0.11,f=-0.78) USER MOD Set 2.1: B 19 ASN : amide:sc= 0.72 K(o=1.5,f=-0.7) USER MOD Set 2.2: B 31 GLN : amide:sc= 0.751 K(o=1.5,f=-0.41) USER MOD Single : B 17 HIS : no HD1:sc= -0.541 K(o=-0.54,f=-1.4) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 GLN : amide:sc= 0.53 K(o=0.53,f=-0.47) USER MOD Single : B 28 SER OG : rot -74:sc= 1.18 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= -0.422 X(o=-0.42,f=-0.57) USER MOD Single : B 38 THR OG1 : rot -150:sc= 0.0694 USER MOD Single : B 41 SER OG : rot 180:sc= -0.174 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 MET CE :methyl -178:sc= -0.0738 (180deg=-0.0991) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 CYS SG : rot -57:sc= -1.27 USER MOD Single : B 51 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.38) USER MOD Single : B 54 SER OG : rot 180:sc= -0.0107 USER MOD Single : B 55 MET CE :methyl 173:sc= 0 (180deg=-0.0478) USER MOD Single : B 65 GLN :FLIP amide:sc= 0.793 F(o=-0.57,f=0.79) USER MOD Single : B 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 70 THR OG1 : rot 70:sc= 1.23 USER MOD Single : B 72 THR OG1 : rot 180:sc= 0.0337 USER MOD Single : B 75 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : B 78 MET CE :methyl -143:sc= -0.227 (180deg=-1.21) USER MOD Single : B 83 THR OG1 : rot -170:sc= 0 USER MOD Single : B 89 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 38 13.409 13.345 -45.685 1.00 0.00 N ATOM 23 CA ASP A 38 14.375 12.242 -45.469 1.00 0.00 C ATOM 24 C ASP A 38 14.832 12.196 -43.976 1.00 0.00 C ATOM 25 O ASP A 38 15.891 11.689 -43.653 1.00 0.00 O ATOM 26 CB ASP A 38 15.436 12.502 -46.481 1.00 0.00 C ATOM 27 CG ASP A 38 16.607 11.520 -46.451 1.00 0.00 C ATOM 28 OD1 ASP A 38 16.390 10.378 -46.011 1.00 0.00 O ATOM 29 OD2 ASP A 38 17.787 11.850 -46.781 1.00 0.00 O ATOM 0 HA ASP A 38 13.976 11.238 -45.616 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.985 12.478 -47.473 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.822 13.510 -46.331 1.00 0.00 H new ATOM 34 N ALA A 39 14.020 12.825 -43.093 1.00 0.00 N ATOM 35 CA ALA A 39 14.323 12.812 -41.627 1.00 0.00 C ATOM 36 C ALA A 39 14.175 11.454 -40.873 1.00 0.00 C ATOM 37 O ALA A 39 13.555 11.319 -39.867 1.00 0.00 O ATOM 38 CB ALA A 39 13.575 13.943 -40.975 1.00 0.00 C ATOM 0 H ALA A 39 13.175 13.335 -43.350 1.00 0.00 H new ATOM 0 HA ALA A 39 15.399 12.961 -41.542 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.784 13.949 -39.905 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.893 14.889 -41.412 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.505 13.811 -41.135 1.00 0.00 H new ATOM 44 N PHE A 40 14.724 10.337 -41.387 1.00 0.00 N ATOM 45 CA PHE A 40 14.581 8.957 -40.865 1.00 0.00 C ATOM 46 C PHE A 40 15.780 8.021 -41.152 1.00 0.00 C ATOM 47 O PHE A 40 16.226 8.002 -42.271 1.00 0.00 O ATOM 48 CB PHE A 40 13.203 8.358 -41.313 1.00 0.00 C ATOM 49 CG PHE A 40 12.561 7.563 -40.237 1.00 0.00 C ATOM 50 CD1 PHE A 40 11.751 8.284 -39.292 1.00 0.00 C ATOM 51 CD2 PHE A 40 12.596 6.182 -40.193 1.00 0.00 C ATOM 52 CE1 PHE A 40 11.070 7.564 -38.326 1.00 0.00 C ATOM 53 CE2 PHE A 40 11.996 5.435 -39.192 1.00 0.00 C ATOM 54 CZ PHE A 40 11.158 6.114 -38.251 1.00 0.00 C ATOM 0 H PHE A 40 15.310 10.370 -42.221 1.00 0.00 H new ATOM 0 HA PHE A 40 14.591 9.031 -39.778 1.00 0.00 H new ATOM 0 HB2 PHE A 40 12.537 9.167 -41.611 1.00 0.00 H new ATOM 0 HB3 PHE A 40 13.351 7.727 -42.190 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.676 9.361 -39.335 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.118 5.658 -40.980 1.00 0.00 H new ATOM 0 HE1 PHE A 40 10.458 8.092 -37.610 1.00 0.00 H new ATOM 0 HE2 PHE A 40 12.156 4.369 -39.124 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.605 5.564 -37.504 1.00 0.00 H new ATOM 64 N ILE A 41 16.295 7.282 -40.137 1.00 0.00 N ATOM 65 CA ILE A 41 17.488 6.385 -40.086 1.00 0.00 C ATOM 66 C ILE A 41 17.160 5.254 -39.089 1.00 0.00 C ATOM 67 O ILE A 41 16.472 5.577 -38.057 1.00 0.00 O ATOM 68 CB ILE A 41 18.622 7.203 -39.494 1.00 0.00 C ATOM 69 CG1 ILE A 41 19.010 8.430 -40.398 1.00 0.00 C ATOM 70 CG2 ILE A 41 19.895 6.378 -39.401 1.00 0.00 C ATOM 71 CD1 ILE A 41 18.311 9.791 -40.041 1.00 0.00 C ATOM 0 H ILE A 41 15.834 7.299 -39.227 1.00 0.00 H new ATOM 0 HA ILE A 41 17.747 5.987 -41.067 1.00 0.00 H new ATOM 0 HB ILE A 41 18.258 7.528 -38.519 1.00 0.00 H new ATOM 0 HG12 ILE A 41 20.089 8.572 -40.341 1.00 0.00 H new ATOM 0 HG13 ILE A 41 18.775 8.183 -41.433 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.692 6.986 -38.974 1.00 0.00 H new ATOM 0 HG22 ILE A 41 19.720 5.510 -38.765 1.00 0.00 H new ATOM 0 HG23 ILE A 41 20.186 6.045 -40.397 1.00 0.00 H new ATOM 0 HD11 ILE A 41 18.652 10.566 -40.727 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.230 9.679 -40.128 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.565 10.074 -39.019 1.00 0.00 H new ATOM 83 N VAL A 42 17.519 3.997 -39.442 1.00 0.00 N ATOM 84 CA VAL A 42 17.022 2.820 -38.735 1.00 0.00 C ATOM 85 C VAL A 42 18.175 1.830 -38.588 1.00 0.00 C ATOM 86 O VAL A 42 18.522 1.234 -39.580 1.00 0.00 O ATOM 87 CB VAL A 42 15.778 2.226 -39.498 1.00 0.00 C ATOM 88 CG1 VAL A 42 15.053 1.305 -38.463 1.00 0.00 C ATOM 89 CG2 VAL A 42 14.782 3.238 -40.085 1.00 0.00 C ATOM 0 H VAL A 42 18.151 3.785 -40.214 1.00 0.00 H new ATOM 0 HA VAL A 42 16.671 3.072 -37.734 1.00 0.00 H new ATOM 0 HB VAL A 42 16.151 1.709 -40.382 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.175 0.857 -38.927 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.733 0.518 -38.138 1.00 0.00 H new ATOM 0 HG13 VAL A 42 14.745 1.898 -37.602 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.973 2.705 -40.584 1.00 0.00 H new ATOM 0 HG22 VAL A 42 14.372 3.852 -39.283 1.00 0.00 H new ATOM 0 HG23 VAL A 42 15.294 3.876 -40.805 1.00 0.00 H new ATOM 99 N ILE A 43 18.748 1.688 -37.413 1.00 0.00 N ATOM 100 CA ILE A 43 20.045 0.945 -37.060 1.00 0.00 C ATOM 101 C ILE A 43 19.742 0.071 -35.857 1.00 0.00 C ATOM 102 O ILE A 43 18.957 0.339 -34.996 1.00 0.00 O ATOM 103 CB ILE A 43 21.224 2.000 -36.781 1.00 0.00 C ATOM 104 CG1 ILE A 43 21.722 2.421 -38.210 1.00 0.00 C ATOM 105 CG2 ILE A 43 22.452 1.519 -36.022 1.00 0.00 C ATOM 106 CD1 ILE A 43 22.367 3.789 -38.223 1.00 0.00 C ATOM 0 H ILE A 43 18.326 2.102 -36.582 1.00 0.00 H new ATOM 0 HA ILE A 43 20.391 0.316 -37.880 1.00 0.00 H new ATOM 0 HB ILE A 43 20.797 2.772 -36.141 1.00 0.00 H new ATOM 0 HG12 ILE A 43 22.437 1.683 -38.573 1.00 0.00 H new ATOM 0 HG13 ILE A 43 20.879 2.415 -38.901 1.00 0.00 H new ATOM 0 HG21 ILE A 43 23.158 2.343 -35.912 1.00 0.00 H new ATOM 0 HG22 ILE A 43 22.154 1.163 -35.036 1.00 0.00 H new ATOM 0 HG23 ILE A 43 22.926 0.707 -36.573 1.00 0.00 H new ATOM 0 HD11 ILE A 43 22.692 4.028 -39.235 1.00 0.00 H new ATOM 0 HD12 ILE A 43 21.646 4.534 -37.888 1.00 0.00 H new ATOM 0 HD13 ILE A 43 23.228 3.791 -37.555 1.00 0.00 H new ATOM 439 N HIS B 17 11.066 -0.598 -30.258 1.00 0.00 N ATOM 440 CA HIS B 17 12.057 0.458 -30.448 1.00 0.00 C ATOM 441 C HIS B 17 11.986 1.676 -29.490 1.00 0.00 C ATOM 442 O HIS B 17 10.905 1.871 -28.964 1.00 0.00 O ATOM 443 CB HIS B 17 12.017 0.977 -31.932 1.00 0.00 C ATOM 444 CG HIS B 17 12.255 -0.153 -32.900 1.00 0.00 C ATOM 445 ND1 HIS B 17 11.170 -0.735 -33.671 1.00 0.00 N ATOM 446 CD2 HIS B 17 13.458 -0.642 -33.299 1.00 0.00 C ATOM 447 CE1 HIS B 17 11.835 -1.643 -34.445 1.00 0.00 C ATOM 448 NE2 HIS B 17 13.168 -1.577 -34.251 1.00 0.00 N ATOM 0 HA HIS B 17 12.998 -0.034 -30.202 1.00 0.00 H new ATOM 0 HB2 HIS B 17 11.050 1.438 -32.135 1.00 0.00 H new ATOM 0 HB3 HIS B 17 12.774 1.748 -32.073 1.00 0.00 H new ATOM 0 HD2 HIS B 17 14.435 -0.353 -32.940 1.00 0.00 H new ATOM 0 HE1 HIS B 17 11.354 -2.328 -35.127 1.00 0.00 H new ATOM 0 HE2 HIS B 17 13.859 -2.143 -34.744 1.00 0.00 H new ATOM 456 N ILE B 18 13.054 2.492 -29.301 1.00 0.00 N ATOM 457 CA ILE B 18 13.069 3.829 -28.691 1.00 0.00 C ATOM 458 C ILE B 18 13.341 4.953 -29.800 1.00 0.00 C ATOM 459 O ILE B 18 14.228 4.855 -30.667 1.00 0.00 O ATOM 460 CB ILE B 18 14.053 3.953 -27.484 1.00 0.00 C ATOM 461 CG1 ILE B 18 14.041 5.412 -26.829 1.00 0.00 C ATOM 462 CG2 ILE B 18 15.417 3.596 -27.996 1.00 0.00 C ATOM 463 CD1 ILE B 18 15.122 5.710 -25.776 1.00 0.00 C ATOM 0 H ILE B 18 13.988 2.205 -29.594 1.00 0.00 H new ATOM 0 HA ILE B 18 12.077 3.991 -28.270 1.00 0.00 H new ATOM 0 HB ILE B 18 13.745 3.278 -26.685 1.00 0.00 H new ATOM 0 HG12 ILE B 18 14.137 6.145 -27.630 1.00 0.00 H new ATOM 0 HG13 ILE B 18 13.066 5.569 -26.368 1.00 0.00 H new ATOM 0 HG21 ILE B 18 16.141 3.669 -27.184 1.00 0.00 H new ATOM 0 HG22 ILE B 18 15.406 2.577 -28.382 1.00 0.00 H new ATOM 0 HG23 ILE B 18 15.697 4.283 -28.795 1.00 0.00 H new ATOM 0 HD11 ILE B 18 15.003 6.730 -25.411 1.00 0.00 H new ATOM 0 HD12 ILE B 18 15.021 5.013 -24.944 1.00 0.00 H new ATOM 0 HD13 ILE B 18 16.109 5.598 -26.226 1.00 0.00 H new ATOM 475 N ASN B 19 12.516 6.003 -29.711 1.00 0.00 N ATOM 476 CA ASN B 19 12.546 7.093 -30.737 1.00 0.00 C ATOM 477 C ASN B 19 13.085 8.400 -30.234 1.00 0.00 C ATOM 478 O ASN B 19 12.418 9.099 -29.487 1.00 0.00 O ATOM 479 CB ASN B 19 11.192 7.263 -31.399 1.00 0.00 C ATOM 480 CG ASN B 19 11.028 6.195 -32.508 1.00 0.00 C ATOM 481 OD1 ASN B 19 11.518 6.343 -33.606 1.00 0.00 O ATOM 482 ND2 ASN B 19 10.279 5.142 -32.236 1.00 0.00 N ATOM 0 H ASN B 19 11.831 6.135 -28.967 1.00 0.00 H new ATOM 0 HA ASN B 19 13.261 6.764 -31.491 1.00 0.00 H new ATOM 0 HB2 ASN B 19 10.397 7.161 -30.660 1.00 0.00 H new ATOM 0 HB3 ASN B 19 11.105 8.263 -31.825 1.00 0.00 H new ATOM 0 HD21 ASN B 19 10.106 4.440 -32.955 1.00 0.00 H new ATOM 0 HD22 ASN B 19 9.873 5.031 -31.307 1.00 0.00 H new ATOM 489 N LEU B 20 14.346 8.656 -30.696 1.00 0.00 N ATOM 490 CA LEU B 20 15.228 9.787 -30.340 1.00 0.00 C ATOM 491 C LEU B 20 15.150 10.862 -31.363 1.00 0.00 C ATOM 492 O LEU B 20 14.920 10.596 -32.516 1.00 0.00 O ATOM 493 CB LEU B 20 16.706 9.384 -30.113 1.00 0.00 C ATOM 494 CG LEU B 20 16.766 8.282 -29.020 1.00 0.00 C ATOM 495 CD1 LEU B 20 18.181 7.767 -29.063 1.00 0.00 C ATOM 496 CD2 LEU B 20 16.376 8.892 -27.639 1.00 0.00 C ATOM 0 H LEU B 20 14.792 8.032 -31.369 1.00 0.00 H new ATOM 0 HA LEU B 20 14.856 10.156 -29.384 1.00 0.00 H new ATOM 0 HB2 LEU B 20 17.144 9.018 -31.042 1.00 0.00 H new ATOM 0 HB3 LEU B 20 17.290 10.251 -29.806 1.00 0.00 H new ATOM 0 HG LEU B 20 16.065 7.464 -29.185 1.00 0.00 H new ATOM 0 HD11 LEU B 20 18.305 6.982 -28.317 1.00 0.00 H new ATOM 0 HD12 LEU B 20 18.391 7.363 -30.053 1.00 0.00 H new ATOM 0 HD13 LEU B 20 18.872 8.583 -28.850 1.00 0.00 H new ATOM 0 HD21 LEU B 20 16.419 8.117 -26.874 1.00 0.00 H new ATOM 0 HD22 LEU B 20 17.072 9.692 -27.385 1.00 0.00 H new ATOM 0 HD23 LEU B 20 15.364 9.294 -27.692 1.00 0.00 H new ATOM 508 N LYS B 21 15.403 12.088 -30.924 1.00 0.00 N ATOM 509 CA LYS B 21 15.853 13.241 -31.780 1.00 0.00 C ATOM 510 C LYS B 21 17.343 13.573 -31.829 1.00 0.00 C ATOM 511 O LYS B 21 18.096 13.304 -30.879 1.00 0.00 O ATOM 512 CB LYS B 21 15.127 14.501 -31.205 1.00 0.00 C ATOM 513 CG LYS B 21 13.611 14.420 -31.506 1.00 0.00 C ATOM 514 CD LYS B 21 12.960 15.665 -30.932 1.00 0.00 C ATOM 515 CE LYS B 21 11.526 15.887 -31.456 1.00 0.00 C ATOM 516 NZ LYS B 21 11.036 17.157 -30.922 1.00 0.00 N ATOM 0 H LYS B 21 15.306 12.342 -29.941 1.00 0.00 H new ATOM 0 HA LYS B 21 15.613 12.950 -32.803 1.00 0.00 H new ATOM 0 HB2 LYS B 21 15.290 14.566 -30.129 1.00 0.00 H new ATOM 0 HB3 LYS B 21 15.546 15.406 -31.646 1.00 0.00 H new ATOM 0 HG2 LYS B 21 13.437 14.358 -32.580 1.00 0.00 H new ATOM 0 HG3 LYS B 21 13.180 13.523 -31.061 1.00 0.00 H new ATOM 0 HD2 LYS B 21 12.937 15.589 -29.845 1.00 0.00 H new ATOM 0 HD3 LYS B 21 13.570 16.534 -31.178 1.00 0.00 H new ATOM 0 HE2 LYS B 21 11.518 15.904 -32.546 1.00 0.00 H new ATOM 0 HE3 LYS B 21 10.877 15.068 -31.146 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 10.068 17.327 -31.263 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 11.035 17.119 -29.883 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 11.656 17.929 -31.240 1.00 0.00 H new ATOM 530 N VAL B 22 17.694 14.221 -32.974 1.00 0.00 N ATOM 531 CA VAL B 22 19.112 14.585 -33.173 1.00 0.00 C ATOM 532 C VAL B 22 19.061 15.886 -33.883 1.00 0.00 C ATOM 533 O VAL B 22 18.302 16.044 -34.870 1.00 0.00 O ATOM 534 CB VAL B 22 19.923 13.493 -33.867 1.00 0.00 C ATOM 535 CG1 VAL B 22 21.451 13.695 -33.618 1.00 0.00 C ATOM 536 CG2 VAL B 22 19.577 12.055 -33.576 1.00 0.00 C ATOM 0 H VAL B 22 17.057 14.485 -33.725 1.00 0.00 H new ATOM 0 HA VAL B 22 19.657 14.684 -32.234 1.00 0.00 H new ATOM 0 HB VAL B 22 19.641 13.635 -34.910 1.00 0.00 H new ATOM 0 HG11 VAL B 22 22.009 12.906 -34.122 1.00 0.00 H new ATOM 0 HG12 VAL B 22 21.759 14.664 -34.011 1.00 0.00 H new ATOM 0 HG13 VAL B 22 21.653 13.656 -32.548 1.00 0.00 H new ATOM 0 HG21 VAL B 22 20.239 11.400 -34.142 1.00 0.00 H new ATOM 0 HG22 VAL B 22 19.698 11.860 -32.510 1.00 0.00 H new ATOM 0 HG23 VAL B 22 18.544 11.864 -33.865 1.00 0.00 H new ATOM 546 N ALA B 23 19.799 16.831 -33.396 1.00 0.00 N ATOM 547 CA ALA B 23 19.529 18.256 -33.557 1.00 0.00 C ATOM 548 C ALA B 23 20.783 19.104 -33.801 1.00 0.00 C ATOM 549 O ALA B 23 21.712 19.290 -33.002 1.00 0.00 O ATOM 550 CB ALA B 23 18.945 18.747 -32.195 1.00 0.00 C ATOM 0 H ALA B 23 20.641 16.643 -32.852 1.00 0.00 H new ATOM 0 HA ALA B 23 18.871 18.370 -34.419 1.00 0.00 H new ATOM 0 HB1 ALA B 23 18.723 19.812 -32.257 1.00 0.00 H new ATOM 0 HB2 ALA B 23 18.030 18.198 -31.972 1.00 0.00 H new ATOM 0 HB3 ALA B 23 19.674 18.574 -31.403 1.00 0.00 H new ATOM 556 N GLY B 24 20.812 19.563 -35.043 1.00 0.00 N ATOM 557 CA GLY B 24 21.732 20.592 -35.569 1.00 0.00 C ATOM 558 C GLY B 24 21.517 21.965 -34.836 1.00 0.00 C ATOM 559 O GLY B 24 20.397 22.306 -34.389 1.00 0.00 O ATOM 0 H GLY B 24 20.168 19.219 -35.756 1.00 0.00 H new ATOM 0 HA2 GLY B 24 22.763 20.264 -35.439 1.00 0.00 H new ATOM 0 HA3 GLY B 24 21.570 20.718 -36.640 1.00 0.00 H new ATOM 563 N GLN B 25 22.528 22.853 -34.801 1.00 0.00 N ATOM 564 CA GLN B 25 22.330 24.154 -34.117 1.00 0.00 C ATOM 565 C GLN B 25 21.338 25.103 -34.928 1.00 0.00 C ATOM 566 O GLN B 25 20.746 26.040 -34.335 1.00 0.00 O ATOM 567 CB GLN B 25 23.563 24.996 -33.831 1.00 0.00 C ATOM 568 CG GLN B 25 24.700 24.182 -33.164 1.00 0.00 C ATOM 569 CD GLN B 25 24.603 24.187 -31.714 1.00 0.00 C ATOM 570 OE1 GLN B 25 24.391 25.126 -30.988 1.00 0.00 O ATOM 571 NE2 GLN B 25 24.869 22.984 -31.148 1.00 0.00 N ATOM 0 H GLN B 25 23.449 22.710 -35.215 1.00 0.00 H new ATOM 0 HA GLN B 25 21.934 23.820 -33.158 1.00 0.00 H new ATOM 0 HB2 GLN B 25 23.928 25.427 -34.763 1.00 0.00 H new ATOM 0 HB3 GLN B 25 23.288 25.828 -33.182 1.00 0.00 H new ATOM 0 HG2 GLN B 25 24.668 23.154 -33.525 1.00 0.00 H new ATOM 0 HG3 GLN B 25 25.663 24.595 -33.463 1.00 0.00 H new ATOM 0 HE21 GLN B 25 25.052 22.172 -31.738 1.00 0.00 H new ATOM 0 HE22 GLN B 25 24.886 22.891 -30.132 1.00 0.00 H new ATOM 580 N ASP B 26 21.088 24.861 -36.218 1.00 0.00 N ATOM 581 CA ASP B 26 20.096 25.598 -37.006 1.00 0.00 C ATOM 582 C ASP B 26 18.600 25.142 -36.857 1.00 0.00 C ATOM 583 O ASP B 26 17.688 25.556 -37.626 1.00 0.00 O ATOM 584 CB ASP B 26 20.472 25.684 -38.469 1.00 0.00 C ATOM 585 CG ASP B 26 20.540 24.377 -39.250 1.00 0.00 C ATOM 586 OD1 ASP B 26 20.641 23.241 -38.689 1.00 0.00 O ATOM 587 OD2 ASP B 26 20.347 24.399 -40.456 1.00 0.00 O ATOM 0 H ASP B 26 21.574 24.140 -36.751 1.00 0.00 H new ATOM 0 HA ASP B 26 20.132 26.590 -36.555 1.00 0.00 H new ATOM 0 HB2 ASP B 26 19.753 26.336 -38.965 1.00 0.00 H new ATOM 0 HB3 ASP B 26 21.445 26.170 -38.539 1.00 0.00 H new ATOM 592 N GLY B 27 18.306 24.276 -35.900 1.00 0.00 N ATOM 593 CA GLY B 27 16.968 23.677 -35.839 1.00 0.00 C ATOM 594 C GLY B 27 16.701 22.641 -36.881 1.00 0.00 C ATOM 595 O GLY B 27 15.575 22.111 -36.946 1.00 0.00 O ATOM 0 H GLY B 27 18.951 23.974 -35.170 1.00 0.00 H new ATOM 0 HA2 GLY B 27 16.830 23.228 -34.855 1.00 0.00 H new ATOM 0 HA3 GLY B 27 16.225 24.469 -35.935 1.00 0.00 H new ATOM 599 N SER B 28 17.710 22.233 -37.667 1.00 0.00 N ATOM 600 CA SER B 28 17.601 21.018 -38.407 1.00 0.00 C ATOM 601 C SER B 28 17.664 19.751 -37.519 1.00 0.00 C ATOM 602 O SER B 28 18.621 19.581 -36.773 1.00 0.00 O ATOM 603 CB SER B 28 18.689 21.088 -39.536 1.00 0.00 C ATOM 604 OG SER B 28 19.983 20.869 -39.022 1.00 0.00 O ATOM 0 H SER B 28 18.589 22.736 -37.790 1.00 0.00 H new ATOM 0 HA SER B 28 16.615 20.923 -38.861 1.00 0.00 H new ATOM 0 HB2 SER B 28 18.469 20.343 -40.301 1.00 0.00 H new ATOM 0 HB3 SER B 28 18.649 22.064 -40.021 1.00 0.00 H new ATOM 0 HG SER B 28 20.276 21.661 -38.525 1.00 0.00 H new ATOM 610 N VAL B 29 16.678 18.868 -37.699 1.00 0.00 N ATOM 611 CA VAL B 29 16.347 17.829 -36.763 1.00 0.00 C ATOM 612 C VAL B 29 15.948 16.555 -37.483 1.00 0.00 C ATOM 613 O VAL B 29 15.099 16.545 -38.362 1.00 0.00 O ATOM 614 CB VAL B 29 15.181 18.264 -35.769 1.00 0.00 C ATOM 615 CG1 VAL B 29 14.749 17.196 -34.818 1.00 0.00 C ATOM 616 CG2 VAL B 29 15.530 19.512 -35.048 1.00 0.00 C ATOM 0 H VAL B 29 16.082 18.869 -38.526 1.00 0.00 H new ATOM 0 HA VAL B 29 17.245 17.646 -36.173 1.00 0.00 H new ATOM 0 HB VAL B 29 14.316 18.451 -36.405 1.00 0.00 H new ATOM 0 HG11 VAL B 29 13.953 17.578 -34.179 1.00 0.00 H new ATOM 0 HG12 VAL B 29 14.383 16.336 -35.379 1.00 0.00 H new ATOM 0 HG13 VAL B 29 15.595 16.894 -34.201 1.00 0.00 H new ATOM 0 HG21 VAL B 29 14.715 19.784 -34.377 1.00 0.00 H new ATOM 0 HG22 VAL B 29 16.440 19.355 -34.469 1.00 0.00 H new ATOM 0 HG23 VAL B 29 15.691 20.315 -35.767 1.00 0.00 H new ATOM 626 N VAL B 30 16.632 15.416 -37.306 1.00 0.00 N ATOM 627 CA VAL B 30 16.220 14.063 -37.819 1.00 0.00 C ATOM 628 C VAL B 30 15.682 13.164 -36.662 1.00 0.00 C ATOM 629 O VAL B 30 15.968 13.450 -35.501 1.00 0.00 O ATOM 630 CB VAL B 30 17.370 13.410 -38.635 1.00 0.00 C ATOM 631 CG1 VAL B 30 17.508 14.052 -39.945 1.00 0.00 C ATOM 632 CG2 VAL B 30 18.627 13.386 -37.839 1.00 0.00 C ATOM 0 H VAL B 30 17.512 15.389 -36.791 1.00 0.00 H new ATOM 0 HA VAL B 30 15.387 14.184 -38.512 1.00 0.00 H new ATOM 0 HB VAL B 30 17.124 12.368 -38.840 1.00 0.00 H new ATOM 0 HG11 VAL B 30 18.319 13.579 -40.499 1.00 0.00 H new ATOM 0 HG12 VAL B 30 16.577 13.945 -40.502 1.00 0.00 H new ATOM 0 HG13 VAL B 30 17.731 15.110 -39.810 1.00 0.00 H new ATOM 0 HG21 VAL B 30 19.421 12.925 -38.427 1.00 0.00 H new ATOM 0 HG22 VAL B 30 18.913 14.405 -37.579 1.00 0.00 H new ATOM 0 HG23 VAL B 30 18.469 12.810 -36.927 1.00 0.00 H new ATOM 642 N GLN B 31 14.890 12.083 -36.826 1.00 0.00 N ATOM 643 CA GLN B 31 14.463 11.132 -35.852 1.00 0.00 C ATOM 644 C GLN B 31 15.413 9.858 -35.991 1.00 0.00 C ATOM 645 O GLN B 31 15.922 9.582 -37.021 1.00 0.00 O ATOM 646 CB GLN B 31 13.055 10.737 -36.240 1.00 0.00 C ATOM 647 CG GLN B 31 12.473 9.798 -35.173 1.00 0.00 C ATOM 648 CD GLN B 31 10.924 9.646 -35.374 1.00 0.00 C ATOM 649 OE1 GLN B 31 10.168 10.564 -35.821 1.00 0.00 O ATOM 650 NE2 GLN B 31 10.383 8.476 -35.163 1.00 0.00 N ATOM 0 H GLN B 31 14.512 11.858 -37.746 1.00 0.00 H new ATOM 0 HA GLN B 31 14.499 11.522 -34.835 1.00 0.00 H new ATOM 0 HB2 GLN B 31 12.431 11.625 -36.337 1.00 0.00 H new ATOM 0 HB3 GLN B 31 13.059 10.242 -37.211 1.00 0.00 H new ATOM 0 HG2 GLN B 31 12.953 8.821 -35.236 1.00 0.00 H new ATOM 0 HG3 GLN B 31 12.681 10.192 -34.178 1.00 0.00 H new ATOM 0 HE21 GLN B 31 10.951 7.709 -34.805 1.00 0.00 H new ATOM 0 HE22 GLN B 31 9.392 8.330 -35.357 1.00 0.00 H new ATOM 659 N PHE B 32 15.673 9.195 -34.885 1.00 0.00 N ATOM 660 CA PHE B 32 16.364 7.910 -34.938 1.00 0.00 C ATOM 661 C PHE B 32 15.511 6.854 -34.245 1.00 0.00 C ATOM 662 O PHE B 32 15.098 7.103 -33.102 1.00 0.00 O ATOM 663 CB PHE B 32 17.737 8.002 -34.211 1.00 0.00 C ATOM 664 CG PHE B 32 18.864 8.209 -35.157 1.00 0.00 C ATOM 665 CD1 PHE B 32 19.044 9.418 -35.768 1.00 0.00 C ATOM 666 CD2 PHE B 32 19.713 7.105 -35.379 1.00 0.00 C ATOM 667 CE1 PHE B 32 20.049 9.559 -36.716 1.00 0.00 C ATOM 668 CE2 PHE B 32 20.739 7.227 -36.349 1.00 0.00 C ATOM 669 CZ PHE B 32 20.975 8.495 -36.968 1.00 0.00 C ATOM 0 H PHE B 32 15.424 9.512 -33.948 1.00 0.00 H new ATOM 0 HA PHE B 32 16.528 7.642 -35.982 1.00 0.00 H new ATOM 0 HB2 PHE B 32 17.712 8.823 -33.494 1.00 0.00 H new ATOM 0 HB3 PHE B 32 17.906 7.088 -33.642 1.00 0.00 H new ATOM 0 HD1 PHE B 32 18.411 10.256 -35.516 1.00 0.00 H new ATOM 0 HD2 PHE B 32 19.584 6.188 -34.823 1.00 0.00 H new ATOM 0 HE1 PHE B 32 20.134 10.482 -37.270 1.00 0.00 H new ATOM 0 HE2 PHE B 32 21.338 6.370 -36.619 1.00 0.00 H new ATOM 0 HZ PHE B 32 21.830 8.647 -37.610 1.00 0.00 H new ATOM 679 N LYS B 33 15.161 5.765 -34.942 1.00 0.00 N ATOM 680 CA LYS B 33 14.337 4.624 -34.464 1.00 0.00 C ATOM 681 C LYS B 33 15.299 3.450 -34.296 1.00 0.00 C ATOM 682 O LYS B 33 15.639 2.796 -35.245 1.00 0.00 O ATOM 683 CB LYS B 33 13.300 4.210 -35.547 1.00 0.00 C ATOM 684 CG LYS B 33 12.383 3.015 -35.229 1.00 0.00 C ATOM 685 CD LYS B 33 11.461 2.711 -36.403 1.00 0.00 C ATOM 686 CE LYS B 33 10.324 1.756 -35.964 1.00 0.00 C ATOM 687 NZ LYS B 33 9.393 1.316 -37.010 1.00 0.00 N ATOM 0 H LYS B 33 15.457 5.640 -35.910 1.00 0.00 H new ATOM 0 HA LYS B 33 13.814 4.894 -33.547 1.00 0.00 H new ATOM 0 HB2 LYS B 33 12.668 5.073 -35.756 1.00 0.00 H new ATOM 0 HB3 LYS B 33 13.843 3.983 -36.464 1.00 0.00 H new ATOM 0 HG2 LYS B 33 12.988 2.138 -35.000 1.00 0.00 H new ATOM 0 HG3 LYS B 33 11.789 3.233 -34.342 1.00 0.00 H new ATOM 0 HD2 LYS B 33 11.037 3.638 -36.790 1.00 0.00 H new ATOM 0 HD3 LYS B 33 12.032 2.259 -37.214 1.00 0.00 H new ATOM 0 HE2 LYS B 33 10.776 0.871 -35.517 1.00 0.00 H new ATOM 0 HE3 LYS B 33 9.748 2.250 -35.181 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 8.679 0.683 -36.596 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 8.921 2.144 -37.426 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 9.918 0.808 -37.751 1.00 0.00 H new ATOM 701 N ILE B 34 15.645 3.184 -33.072 1.00 0.00 N ATOM 702 CA ILE B 34 16.680 2.276 -32.679 1.00 0.00 C ATOM 703 C ILE B 34 16.260 1.314 -31.540 1.00 0.00 C ATOM 704 O ILE B 34 15.277 1.528 -30.892 1.00 0.00 O ATOM 705 CB ILE B 34 17.958 3.052 -32.355 1.00 0.00 C ATOM 706 CG1 ILE B 34 17.926 3.998 -31.089 1.00 0.00 C ATOM 707 CG2 ILE B 34 18.415 3.778 -33.557 1.00 0.00 C ATOM 708 CD1 ILE B 34 19.229 4.839 -30.982 1.00 0.00 C ATOM 0 H ILE B 34 15.184 3.621 -32.274 1.00 0.00 H new ATOM 0 HA ILE B 34 16.880 1.620 -33.527 1.00 0.00 H new ATOM 0 HB ILE B 34 18.675 2.286 -32.060 1.00 0.00 H new ATOM 0 HG12 ILE B 34 17.065 4.663 -31.151 1.00 0.00 H new ATOM 0 HG13 ILE B 34 17.802 3.399 -30.187 1.00 0.00 H new ATOM 0 HG21 ILE B 34 19.325 4.330 -33.324 1.00 0.00 H new ATOM 0 HG22 ILE B 34 18.617 3.066 -34.357 1.00 0.00 H new ATOM 0 HG23 ILE B 34 17.640 4.474 -33.878 1.00 0.00 H new ATOM 0 HD11 ILE B 34 19.177 5.480 -30.102 1.00 0.00 H new ATOM 0 HD12 ILE B 34 20.087 4.172 -30.895 1.00 0.00 H new ATOM 0 HD13 ILE B 34 19.338 5.456 -31.874 1.00 0.00 H new ATOM 720 N LYS B 35 17.021 0.282 -31.108 1.00 0.00 N ATOM 721 CA LYS B 35 16.803 -0.561 -29.990 1.00 0.00 C ATOM 722 C LYS B 35 17.507 0.170 -28.788 1.00 0.00 C ATOM 723 O LYS B 35 18.504 0.867 -28.947 1.00 0.00 O ATOM 724 CB LYS B 35 17.218 -2.027 -30.153 1.00 0.00 C ATOM 725 CG LYS B 35 16.204 -2.869 -30.974 1.00 0.00 C ATOM 726 CD LYS B 35 16.881 -4.092 -31.583 1.00 0.00 C ATOM 727 CE LYS B 35 15.769 -4.959 -32.056 1.00 0.00 C ATOM 728 NZ LYS B 35 16.262 -6.246 -32.493 1.00 0.00 N ATOM 0 H LYS B 35 17.874 0.024 -31.604 1.00 0.00 H new ATOM 0 HA LYS B 35 15.732 -0.687 -29.829 1.00 0.00 H new ATOM 0 HB2 LYS B 35 18.192 -2.069 -30.641 1.00 0.00 H new ATOM 0 HB3 LYS B 35 17.336 -2.475 -29.166 1.00 0.00 H new ATOM 0 HG2 LYS B 35 15.383 -3.185 -30.331 1.00 0.00 H new ATOM 0 HG3 LYS B 35 15.772 -2.256 -31.765 1.00 0.00 H new ATOM 0 HD2 LYS B 35 17.537 -3.810 -32.406 1.00 0.00 H new ATOM 0 HD3 LYS B 35 17.497 -4.608 -30.847 1.00 0.00 H new ATOM 0 HE2 LYS B 35 15.045 -5.097 -31.253 1.00 0.00 H new ATOM 0 HE3 LYS B 35 15.245 -4.469 -32.877 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 15.466 -6.831 -32.818 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 16.935 -6.113 -33.275 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 16.740 -6.722 -31.701 1.00 0.00 H new ATOM 742 N ARG B 36 16.988 -0.012 -27.574 1.00 0.00 N ATOM 743 CA ARG B 36 17.546 0.711 -26.415 1.00 0.00 C ATOM 744 C ARG B 36 18.998 0.393 -26.012 1.00 0.00 C ATOM 745 O ARG B 36 19.680 1.145 -25.273 1.00 0.00 O ATOM 746 CB ARG B 36 16.568 0.546 -25.221 1.00 0.00 C ATOM 747 CG ARG B 36 15.276 1.396 -25.431 1.00 0.00 C ATOM 748 CD ARG B 36 14.166 1.022 -24.383 1.00 0.00 C ATOM 749 NE ARG B 36 14.746 1.251 -23.030 1.00 0.00 N ATOM 750 CZ ARG B 36 14.691 2.404 -22.331 1.00 0.00 C ATOM 751 NH1 ARG B 36 14.114 3.421 -22.787 1.00 0.00 N ATOM 752 NH2 ARG B 36 15.191 2.433 -21.137 1.00 0.00 N ATOM 0 H ARG B 36 16.206 -0.632 -27.363 1.00 0.00 H new ATOM 0 HA ARG B 36 17.631 1.750 -26.733 1.00 0.00 H new ATOM 0 HB2 ARG B 36 16.301 -0.505 -25.108 1.00 0.00 H new ATOM 0 HB3 ARG B 36 17.061 0.851 -24.298 1.00 0.00 H new ATOM 0 HG2 ARG B 36 15.518 2.455 -25.345 1.00 0.00 H new ATOM 0 HG3 ARG B 36 14.894 1.237 -26.440 1.00 0.00 H new ATOM 0 HD2 ARG B 36 13.276 1.634 -24.529 1.00 0.00 H new ATOM 0 HD3 ARG B 36 13.860 -0.018 -24.500 1.00 0.00 H new ATOM 0 HE ARG B 36 15.228 0.466 -22.593 1.00 0.00 H new ATOM 0 HH11 ARG B 36 13.673 3.388 -23.706 1.00 0.00 H new ATOM 0 HH12 ARG B 36 14.086 4.281 -22.239 1.00 0.00 H new ATOM 0 HH21 ARG B 36 15.616 1.594 -20.742 1.00 0.00 H new ATOM 0 HH22 ARG B 36 15.160 3.294 -20.592 1.00 0.00 H new ATOM 766 N HIS B 37 19.478 -0.705 -26.552 1.00 0.00 N ATOM 767 CA HIS B 37 20.862 -1.140 -26.439 1.00 0.00 C ATOM 768 C HIS B 37 21.697 -1.000 -27.685 1.00 0.00 C ATOM 769 O HIS B 37 22.855 -1.371 -27.647 1.00 0.00 O ATOM 770 CB HIS B 37 20.797 -2.588 -25.915 1.00 0.00 C ATOM 771 CG HIS B 37 19.932 -3.448 -26.774 1.00 0.00 C ATOM 772 ND1 HIS B 37 20.137 -3.822 -28.095 1.00 0.00 N ATOM 773 CD2 HIS B 37 18.725 -3.904 -26.324 1.00 0.00 C ATOM 774 CE1 HIS B 37 19.053 -4.507 -28.435 1.00 0.00 C ATOM 775 NE2 HIS B 37 18.137 -4.482 -27.435 1.00 0.00 N ATOM 0 H HIS B 37 18.902 -1.343 -27.100 1.00 0.00 H new ATOM 0 HA HIS B 37 21.393 -0.477 -25.756 1.00 0.00 H new ATOM 0 HB2 HIS B 37 21.803 -3.007 -25.877 1.00 0.00 H new ATOM 0 HB3 HIS B 37 20.412 -2.589 -24.895 1.00 0.00 H new ATOM 0 HD2 HIS B 37 18.321 -3.830 -25.325 1.00 0.00 H new ATOM 0 HE1 HIS B 37 18.918 -5.015 -29.379 1.00 0.00 H new ATOM 0 HE2 HIS B 37 17.180 -4.829 -27.492 1.00 0.00 H new ATOM 783 N THR B 38 21.258 -0.397 -28.840 1.00 0.00 N ATOM 784 CA THR B 38 22.093 -0.054 -29.980 1.00 0.00 C ATOM 785 C THR B 38 23.144 1.011 -29.508 1.00 0.00 C ATOM 786 O THR B 38 22.789 1.892 -28.728 1.00 0.00 O ATOM 787 CB THR B 38 21.217 0.538 -31.130 1.00 0.00 C ATOM 788 OG1 THR B 38 20.085 -0.359 -31.361 1.00 0.00 O ATOM 789 CG2 THR B 38 21.932 0.921 -32.403 1.00 0.00 C ATOM 0 H THR B 38 20.280 -0.141 -28.978 1.00 0.00 H new ATOM 0 HA THR B 38 22.597 -0.944 -30.358 1.00 0.00 H new ATOM 0 HB THR B 38 20.874 1.512 -30.780 1.00 0.00 H new ATOM 0 HG1 THR B 38 19.814 -0.308 -32.301 1.00 0.00 H new ATOM 0 HG21 THR B 38 21.212 1.318 -33.119 1.00 0.00 H new ATOM 0 HG22 THR B 38 22.683 1.680 -32.184 1.00 0.00 H new ATOM 0 HG23 THR B 38 22.418 0.042 -32.826 1.00 0.00 H new ATOM 797 N PRO B 39 24.391 1.053 -30.094 1.00 0.00 N ATOM 798 CA PRO B 39 25.345 2.071 -29.734 1.00 0.00 C ATOM 799 C PRO B 39 25.070 3.484 -30.290 1.00 0.00 C ATOM 800 O PRO B 39 24.624 3.647 -31.416 1.00 0.00 O ATOM 801 CB PRO B 39 26.635 1.579 -30.271 1.00 0.00 C ATOM 802 CG PRO B 39 26.472 0.060 -30.432 1.00 0.00 C ATOM 803 CD PRO B 39 25.009 -0.053 -30.778 1.00 0.00 C ATOM 0 HA PRO B 39 25.311 2.208 -28.653 1.00 0.00 H new ATOM 0 HB2 PRO B 39 26.866 2.051 -31.226 1.00 0.00 H new ATOM 0 HB3 PRO B 39 27.455 1.814 -29.593 1.00 0.00 H new ATOM 0 HG2 PRO B 39 27.111 -0.340 -31.219 1.00 0.00 H new ATOM 0 HG3 PRO B 39 26.719 -0.478 -29.517 1.00 0.00 H new ATOM 0 HD2 PRO B 39 24.850 0.007 -31.855 1.00 0.00 H new ATOM 0 HD3 PRO B 39 24.595 -1.006 -30.447 1.00 0.00 H new ATOM 811 N LEU B 40 25.283 4.478 -29.468 1.00 0.00 N ATOM 812 CA LEU B 40 25.292 5.894 -29.929 1.00 0.00 C ATOM 813 C LEU B 40 26.489 6.274 -30.880 1.00 0.00 C ATOM 814 O LEU B 40 26.336 7.135 -31.744 1.00 0.00 O ATOM 815 CB LEU B 40 25.169 6.843 -28.676 1.00 0.00 C ATOM 816 CG LEU B 40 23.972 6.476 -27.741 1.00 0.00 C ATOM 817 CD1 LEU B 40 24.213 7.146 -26.404 1.00 0.00 C ATOM 818 CD2 LEU B 40 22.733 7.036 -28.448 1.00 0.00 C ATOM 0 H LEU B 40 25.456 4.361 -28.470 1.00 0.00 H new ATOM 0 HA LEU B 40 24.423 6.032 -30.573 1.00 0.00 H new ATOM 0 HB2 LEU B 40 26.095 6.800 -28.103 1.00 0.00 H new ATOM 0 HB3 LEU B 40 25.053 7.872 -29.017 1.00 0.00 H new ATOM 0 HG LEU B 40 23.852 5.408 -27.560 1.00 0.00 H new ATOM 0 HD11 LEU B 40 23.393 6.910 -25.726 1.00 0.00 H new ATOM 0 HD12 LEU B 40 25.150 6.786 -25.980 1.00 0.00 H new ATOM 0 HD13 LEU B 40 24.269 8.226 -26.543 1.00 0.00 H new ATOM 0 HD21 LEU B 40 21.846 6.819 -27.853 1.00 0.00 H new ATOM 0 HD22 LEU B 40 22.837 8.115 -28.565 1.00 0.00 H new ATOM 0 HD23 LEU B 40 22.634 6.573 -29.430 1.00 0.00 H new ATOM 830 N SER B 41 27.678 5.637 -30.681 1.00 0.00 N ATOM 831 CA SER B 41 28.702 5.644 -31.765 1.00 0.00 C ATOM 832 C SER B 41 28.169 5.441 -33.221 1.00 0.00 C ATOM 833 O SER B 41 28.421 6.197 -34.086 1.00 0.00 O ATOM 834 CB SER B 41 29.797 4.607 -31.463 1.00 0.00 C ATOM 835 OG SER B 41 29.239 3.353 -31.689 1.00 0.00 O ATOM 0 H SER B 41 27.942 5.139 -29.831 1.00 0.00 H new ATOM 0 HA SER B 41 29.098 6.659 -31.755 1.00 0.00 H new ATOM 0 HB2 SER B 41 30.665 4.764 -32.103 1.00 0.00 H new ATOM 0 HB3 SER B 41 30.140 4.697 -30.432 1.00 0.00 H new ATOM 0 HG SER B 41 29.908 2.660 -31.509 1.00 0.00 H new ATOM 841 N LYS B 42 27.343 4.387 -33.453 1.00 0.00 N ATOM 842 CA LYS B 42 26.748 4.017 -34.742 1.00 0.00 C ATOM 843 C LYS B 42 25.750 5.120 -35.131 1.00 0.00 C ATOM 844 O LYS B 42 25.745 5.453 -36.297 1.00 0.00 O ATOM 845 CB LYS B 42 26.267 2.559 -34.783 1.00 0.00 C ATOM 846 CG LYS B 42 27.435 1.543 -34.664 1.00 0.00 C ATOM 847 CD LYS B 42 26.861 0.013 -34.790 1.00 0.00 C ATOM 848 CE LYS B 42 28.053 -0.950 -34.639 1.00 0.00 C ATOM 849 NZ LYS B 42 27.540 -2.374 -34.421 1.00 0.00 N ATOM 0 H LYS B 42 27.068 3.750 -32.705 1.00 0.00 H new ATOM 0 HA LYS B 42 27.490 3.990 -35.540 1.00 0.00 H new ATOM 0 HB2 LYS B 42 25.559 2.391 -33.971 1.00 0.00 H new ATOM 0 HB3 LYS B 42 25.730 2.383 -35.715 1.00 0.00 H new ATOM 0 HG2 LYS B 42 28.171 1.730 -35.446 1.00 0.00 H new ATOM 0 HG3 LYS B 42 27.944 1.672 -33.709 1.00 0.00 H new ATOM 0 HD2 LYS B 42 26.114 -0.180 -34.020 1.00 0.00 H new ATOM 0 HD3 LYS B 42 26.371 -0.133 -35.753 1.00 0.00 H new ATOM 0 HE2 LYS B 42 28.680 -0.911 -35.530 1.00 0.00 H new ATOM 0 HE3 LYS B 42 28.676 -0.645 -33.798 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 28.347 -3.022 -34.319 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 26.960 -2.406 -33.558 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 26.964 -2.664 -35.237 1.00 0.00 H new ATOM 863 N LEU B 43 25.055 5.693 -34.127 1.00 0.00 N ATOM 864 CA LEU B 43 24.071 6.765 -34.387 1.00 0.00 C ATOM 865 C LEU B 43 24.741 8.125 -34.813 1.00 0.00 C ATOM 866 O LEU B 43 24.352 8.662 -35.797 1.00 0.00 O ATOM 867 CB LEU B 43 23.073 6.907 -33.157 1.00 0.00 C ATOM 868 CG LEU B 43 22.145 8.155 -33.251 1.00 0.00 C ATOM 869 CD1 LEU B 43 20.817 8.135 -32.443 1.00 0.00 C ATOM 870 CD2 LEU B 43 22.699 9.548 -32.573 1.00 0.00 C ATOM 0 H LEU B 43 25.154 5.437 -33.144 1.00 0.00 H new ATOM 0 HA LEU B 43 23.479 6.474 -35.254 1.00 0.00 H new ATOM 0 HB2 LEU B 43 22.457 6.010 -33.094 1.00 0.00 H new ATOM 0 HB3 LEU B 43 23.651 6.963 -32.235 1.00 0.00 H new ATOM 0 HG LEU B 43 22.060 8.119 -34.337 1.00 0.00 H new ATOM 0 HD11 LEU B 43 20.278 9.068 -32.606 1.00 0.00 H new ATOM 0 HD12 LEU B 43 20.202 7.298 -32.774 1.00 0.00 H new ATOM 0 HD13 LEU B 43 21.039 8.025 -31.381 1.00 0.00 H new ATOM 0 HD21 LEU B 43 21.959 10.337 -32.708 1.00 0.00 H new ATOM 0 HD22 LEU B 43 22.872 9.391 -31.508 1.00 0.00 H new ATOM 0 HD23 LEU B 43 23.633 9.840 -33.053 1.00 0.00 H new ATOM 882 N MET B 44 25.741 8.628 -34.078 1.00 0.00 N ATOM 883 CA MET B 44 26.708 9.656 -34.446 1.00 0.00 C ATOM 884 C MET B 44 27.307 9.383 -35.832 1.00 0.00 C ATOM 885 O MET B 44 27.158 10.240 -36.759 1.00 0.00 O ATOM 886 CB MET B 44 27.738 9.705 -33.282 1.00 0.00 C ATOM 887 CG MET B 44 27.179 10.006 -31.842 1.00 0.00 C ATOM 888 SD MET B 44 28.348 10.719 -30.663 1.00 0.00 S ATOM 889 CE MET B 44 29.199 9.190 -30.060 1.00 0.00 C ATOM 0 H MET B 44 25.903 8.293 -33.128 1.00 0.00 H new ATOM 0 HA MET B 44 26.257 10.642 -34.559 1.00 0.00 H new ATOM 0 HB2 MET B 44 28.258 8.747 -33.250 1.00 0.00 H new ATOM 0 HB3 MET B 44 28.483 10.464 -33.521 1.00 0.00 H new ATOM 0 HG2 MET B 44 26.333 10.686 -31.939 1.00 0.00 H new ATOM 0 HG3 MET B 44 26.794 9.076 -31.423 1.00 0.00 H new ATOM 0 HE1 MET B 44 29.929 9.457 -29.296 1.00 0.00 H new ATOM 0 HE2 MET B 44 28.463 8.507 -29.635 1.00 0.00 H new ATOM 0 HE3 MET B 44 29.707 8.704 -30.893 1.00 0.00 H new ATOM 899 N LYS B 45 27.943 8.234 -36.007 1.00 0.00 N ATOM 900 CA LYS B 45 28.601 7.918 -37.298 1.00 0.00 C ATOM 901 C LYS B 45 27.686 7.937 -38.542 1.00 0.00 C ATOM 902 O LYS B 45 27.943 8.582 -39.585 1.00 0.00 O ATOM 903 CB LYS B 45 29.455 6.683 -37.299 1.00 0.00 C ATOM 904 CG LYS B 45 30.709 6.839 -36.450 1.00 0.00 C ATOM 905 CD LYS B 45 31.646 5.636 -36.276 1.00 0.00 C ATOM 906 CE LYS B 45 31.051 4.442 -35.553 1.00 0.00 C ATOM 907 NZ LYS B 45 32.016 3.323 -35.509 1.00 0.00 N ATOM 0 H LYS B 45 28.026 7.508 -35.296 1.00 0.00 H new ATOM 0 HA LYS B 45 29.270 8.773 -37.390 1.00 0.00 H new ATOM 0 HB2 LYS B 45 28.871 5.841 -36.927 1.00 0.00 H new ATOM 0 HB3 LYS B 45 29.741 6.444 -38.323 1.00 0.00 H new ATOM 0 HG2 LYS B 45 31.295 7.653 -36.876 1.00 0.00 H new ATOM 0 HG3 LYS B 45 30.395 7.158 -35.456 1.00 0.00 H new ATOM 0 HD2 LYS B 45 31.979 5.312 -37.262 1.00 0.00 H new ATOM 0 HD3 LYS B 45 32.532 5.964 -35.732 1.00 0.00 H new ATOM 0 HE2 LYS B 45 30.771 4.727 -34.539 1.00 0.00 H new ATOM 0 HE3 LYS B 45 30.139 4.123 -36.058 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 31.589 2.516 -35.010 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 32.263 3.039 -36.479 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 32.875 3.625 -35.007 1.00 0.00 H new ATOM 921 N ALA B 46 26.468 7.332 -38.399 1.00 0.00 N ATOM 922 CA ALA B 46 25.424 7.412 -39.422 1.00 0.00 C ATOM 923 C ALA B 46 24.954 8.845 -39.850 1.00 0.00 C ATOM 924 O ALA B 46 25.021 9.203 -41.026 1.00 0.00 O ATOM 925 CB ALA B 46 24.259 6.612 -38.916 1.00 0.00 C ATOM 0 H ALA B 46 26.203 6.788 -37.578 1.00 0.00 H new ATOM 0 HA ALA B 46 25.861 7.019 -40.340 1.00 0.00 H new ATOM 0 HB1 ALA B 46 23.452 6.642 -39.648 1.00 0.00 H new ATOM 0 HB2 ALA B 46 24.568 5.579 -38.759 1.00 0.00 H new ATOM 0 HB3 ALA B 46 23.910 7.034 -37.973 1.00 0.00 H new ATOM 931 N TYR B 47 24.570 9.611 -38.804 1.00 0.00 N ATOM 932 CA TYR B 47 24.348 11.080 -38.979 1.00 0.00 C ATOM 933 C TYR B 47 25.494 11.820 -39.685 1.00 0.00 C ATOM 934 O TYR B 47 25.334 12.502 -40.708 1.00 0.00 O ATOM 935 CB TYR B 47 24.063 11.610 -37.590 1.00 0.00 C ATOM 936 CG TYR B 47 23.754 13.172 -37.548 1.00 0.00 C ATOM 937 CD1 TYR B 47 24.816 14.043 -37.740 1.00 0.00 C ATOM 938 CD2 TYR B 47 22.433 13.639 -37.382 1.00 0.00 C ATOM 939 CE1 TYR B 47 24.517 15.413 -37.710 1.00 0.00 C ATOM 940 CE2 TYR B 47 22.115 15.011 -37.408 1.00 0.00 C ATOM 941 CZ TYR B 47 23.211 15.924 -37.580 1.00 0.00 C ATOM 942 OH TYR B 47 23.118 17.281 -37.516 1.00 0.00 O ATOM 0 H TYR B 47 24.410 9.261 -37.859 1.00 0.00 H new ATOM 0 HA TYR B 47 23.514 11.257 -39.658 1.00 0.00 H new ATOM 0 HB2 TYR B 47 23.213 11.070 -37.173 1.00 0.00 H new ATOM 0 HB3 TYR B 47 24.919 11.401 -36.949 1.00 0.00 H new ATOM 0 HD1 TYR B 47 25.822 13.685 -37.904 1.00 0.00 H new ATOM 0 HD2 TYR B 47 21.640 12.922 -37.230 1.00 0.00 H new ATOM 0 HE1 TYR B 47 25.334 16.115 -37.791 1.00 0.00 H new ATOM 0 HE2 TYR B 47 21.098 15.359 -37.304 1.00 0.00 H new ATOM 0 HH TYR B 47 22.177 17.541 -37.428 1.00 0.00 H new ATOM 952 N CYS B 48 26.764 11.588 -39.246 1.00 0.00 N ATOM 953 CA CYS B 48 27.961 12.238 -39.733 1.00 0.00 C ATOM 954 C CYS B 48 28.091 11.868 -41.176 1.00 0.00 C ATOM 955 O CYS B 48 28.248 12.754 -42.005 1.00 0.00 O ATOM 956 CB CYS B 48 29.067 11.701 -38.873 1.00 0.00 C ATOM 957 SG CYS B 48 30.698 12.327 -39.317 1.00 0.00 S ATOM 0 H CYS B 48 26.962 10.909 -38.511 1.00 0.00 H new ATOM 0 HA CYS B 48 27.965 13.327 -39.676 1.00 0.00 H new ATOM 0 HB2 CYS B 48 28.862 11.953 -37.833 1.00 0.00 H new ATOM 0 HB3 CYS B 48 29.074 10.613 -38.942 1.00 0.00 H new ATOM 0 HG CYS B 48 30.944 12.051 -40.563 1.00 0.00 H new ATOM 963 N GLU B 49 28.009 10.584 -41.613 1.00 0.00 N ATOM 964 CA GLU B 49 28.011 10.119 -43.017 1.00 0.00 C ATOM 965 C GLU B 49 27.023 10.911 -43.815 1.00 0.00 C ATOM 966 O GLU B 49 27.372 11.459 -44.849 1.00 0.00 O ATOM 967 CB GLU B 49 27.623 8.628 -43.073 1.00 0.00 C ATOM 968 CG GLU B 49 28.800 7.640 -42.792 1.00 0.00 C ATOM 969 CD GLU B 49 30.025 7.972 -43.600 1.00 0.00 C ATOM 970 OE1 GLU B 49 30.024 8.167 -44.824 1.00 0.00 O ATOM 971 OE2 GLU B 49 31.124 8.023 -43.082 1.00 0.00 O ATOM 0 H GLU B 49 27.936 9.807 -40.956 1.00 0.00 H new ATOM 0 HA GLU B 49 29.010 10.254 -43.432 1.00 0.00 H new ATOM 0 HB2 GLU B 49 26.831 8.445 -42.347 1.00 0.00 H new ATOM 0 HB3 GLU B 49 27.210 8.410 -44.058 1.00 0.00 H new ATOM 0 HG2 GLU B 49 29.049 7.666 -41.731 1.00 0.00 H new ATOM 0 HG3 GLU B 49 28.481 6.623 -43.020 1.00 0.00 H new ATOM 978 N ARG B 50 25.792 11.050 -43.379 1.00 0.00 N ATOM 979 CA ARG B 50 24.683 11.849 -44.052 1.00 0.00 C ATOM 980 C ARG B 50 25.004 13.333 -44.281 1.00 0.00 C ATOM 981 O ARG B 50 24.667 13.857 -45.327 1.00 0.00 O ATOM 982 CB ARG B 50 23.401 11.639 -43.258 1.00 0.00 C ATOM 983 CG ARG B 50 22.445 10.501 -43.739 1.00 0.00 C ATOM 984 CD ARG B 50 21.249 10.394 -42.814 1.00 0.00 C ATOM 985 NE ARG B 50 20.300 9.405 -43.287 1.00 0.00 N ATOM 986 CZ ARG B 50 19.187 9.593 -43.993 1.00 0.00 C ATOM 987 NH1 ARG B 50 18.771 10.791 -44.226 1.00 0.00 N ATOM 988 NH2 ARG B 50 18.473 8.613 -44.528 1.00 0.00 N ATOM 0 H ARG B 50 25.479 10.609 -42.514 1.00 0.00 H new ATOM 0 HA ARG B 50 24.565 11.470 -45.067 1.00 0.00 H new ATOM 0 HB2 ARG B 50 23.674 11.437 -42.222 1.00 0.00 H new ATOM 0 HB3 ARG B 50 22.842 12.575 -43.263 1.00 0.00 H new ATOM 0 HG2 ARG B 50 22.110 10.704 -44.756 1.00 0.00 H new ATOM 0 HG3 ARG B 50 22.981 9.552 -43.763 1.00 0.00 H new ATOM 0 HD2 ARG B 50 21.585 10.128 -41.812 1.00 0.00 H new ATOM 0 HD3 ARG B 50 20.758 11.364 -42.738 1.00 0.00 H new ATOM 0 HE ARG B 50 20.513 8.437 -43.047 1.00 0.00 H new ATOM 0 HH11 ARG B 50 19.294 11.591 -43.870 1.00 0.00 H new ATOM 0 HH12 ARG B 50 17.919 10.939 -44.767 1.00 0.00 H new ATOM 0 HH21 ARG B 50 18.768 7.644 -44.409 1.00 0.00 H new ATOM 0 HH22 ARG B 50 17.629 8.828 -45.058 1.00 0.00 H new ATOM 1002 N GLN B 51 25.623 13.968 -43.245 1.00 0.00 N ATOM 1003 CA GLN B 51 26.170 15.332 -43.368 1.00 0.00 C ATOM 1004 C GLN B 51 27.508 15.406 -44.247 1.00 0.00 C ATOM 1005 O GLN B 51 27.787 16.524 -44.618 1.00 0.00 O ATOM 1006 CB GLN B 51 26.440 16.011 -42.002 1.00 0.00 C ATOM 1007 CG GLN B 51 25.116 16.131 -41.150 1.00 0.00 C ATOM 1008 CD GLN B 51 23.982 16.780 -41.987 1.00 0.00 C ATOM 1009 OE1 GLN B 51 23.042 16.079 -42.288 1.00 0.00 O ATOM 1010 NE2 GLN B 51 24.045 18.006 -42.424 1.00 0.00 N ATOM 0 H GLN B 51 25.750 13.551 -42.323 1.00 0.00 H new ATOM 0 HA GLN B 51 25.380 15.877 -43.884 1.00 0.00 H new ATOM 0 HB2 GLN B 51 27.181 15.435 -41.447 1.00 0.00 H new ATOM 0 HB3 GLN B 51 26.862 17.003 -42.163 1.00 0.00 H new ATOM 0 HG2 GLN B 51 24.805 15.143 -40.811 1.00 0.00 H new ATOM 0 HG3 GLN B 51 25.304 16.729 -40.258 1.00 0.00 H new ATOM 0 HE21 GLN B 51 24.836 18.598 -42.171 1.00 0.00 H new ATOM 0 HE22 GLN B 51 23.303 18.374 -43.019 1.00 0.00 H new ATOM 1019 N GLY B 52 28.153 14.294 -44.556 1.00 0.00 N ATOM 1020 CA GLY B 52 29.303 14.153 -45.465 1.00 0.00 C ATOM 1021 C GLY B 52 30.700 14.450 -44.852 1.00 0.00 C ATOM 1022 O GLY B 52 31.501 15.021 -45.523 1.00 0.00 O ATOM 0 H GLY B 52 27.876 13.397 -44.156 1.00 0.00 H new ATOM 0 HA2 GLY B 52 29.309 13.135 -45.855 1.00 0.00 H new ATOM 0 HA3 GLY B 52 29.152 14.819 -46.314 1.00 0.00 H new ATOM 1026 N LEU B 53 30.848 14.187 -43.545 1.00 0.00 N ATOM 1027 CA LEU B 53 32.037 14.521 -42.792 1.00 0.00 C ATOM 1028 C LEU B 53 32.722 13.205 -42.166 1.00 0.00 C ATOM 1029 O LEU B 53 32.126 12.129 -42.096 1.00 0.00 O ATOM 1030 CB LEU B 53 31.616 15.555 -41.677 1.00 0.00 C ATOM 1031 CG LEU B 53 30.670 16.673 -42.006 1.00 0.00 C ATOM 1032 CD1 LEU B 53 30.371 17.503 -40.799 1.00 0.00 C ATOM 1033 CD2 LEU B 53 31.316 17.585 -43.058 1.00 0.00 C ATOM 0 H LEU B 53 30.128 13.730 -42.986 1.00 0.00 H new ATOM 0 HA LEU B 53 32.789 14.966 -43.444 1.00 0.00 H new ATOM 0 HB2 LEU B 53 31.173 14.987 -40.859 1.00 0.00 H new ATOM 0 HB3 LEU B 53 32.530 16.007 -41.293 1.00 0.00 H new ATOM 0 HG LEU B 53 29.744 16.233 -42.377 1.00 0.00 H new ATOM 0 HD11 LEU B 53 29.683 18.304 -41.070 1.00 0.00 H new ATOM 0 HD12 LEU B 53 29.915 16.878 -40.031 1.00 0.00 H new ATOM 0 HD13 LEU B 53 31.296 17.933 -40.415 1.00 0.00 H new ATOM 0 HD21 LEU B 53 30.634 18.400 -43.302 1.00 0.00 H new ATOM 0 HD22 LEU B 53 32.245 17.996 -42.662 1.00 0.00 H new ATOM 0 HD23 LEU B 53 31.529 17.008 -43.958 1.00 0.00 H new ATOM 1045 N SER B 54 33.852 13.487 -41.488 1.00 0.00 N ATOM 1046 CA SER B 54 34.387 12.657 -40.405 1.00 0.00 C ATOM 1047 C SER B 54 33.819 13.096 -39.053 1.00 0.00 C ATOM 1048 O SER B 54 33.648 14.282 -38.651 1.00 0.00 O ATOM 1049 CB SER B 54 35.926 12.599 -40.405 1.00 0.00 C ATOM 1050 OG SER B 54 36.186 11.728 -39.327 1.00 0.00 O ATOM 0 H SER B 54 34.422 14.310 -41.684 1.00 0.00 H new ATOM 0 HA SER B 54 34.057 11.634 -40.586 1.00 0.00 H new ATOM 0 HB2 SER B 54 36.320 12.213 -41.345 1.00 0.00 H new ATOM 0 HB3 SER B 54 36.371 13.582 -40.252 1.00 0.00 H new ATOM 0 HG SER B 54 37.154 11.610 -39.228 1.00 0.00 H new ATOM 1056 N MET B 55 33.570 12.110 -38.115 1.00 0.00 N ATOM 1057 CA MET B 55 32.945 12.287 -36.751 1.00 0.00 C ATOM 1058 C MET B 55 33.748 13.221 -35.880 1.00 0.00 C ATOM 1059 O MET B 55 33.178 13.893 -34.999 1.00 0.00 O ATOM 1060 CB MET B 55 32.688 10.925 -36.055 1.00 0.00 C ATOM 1061 CG MET B 55 31.706 11.163 -34.950 1.00 0.00 C ATOM 1062 SD MET B 55 31.036 9.733 -34.119 1.00 0.00 S ATOM 1063 CE MET B 55 32.547 8.898 -33.550 1.00 0.00 C ATOM 0 H MET B 55 33.809 11.136 -38.298 1.00 0.00 H new ATOM 0 HA MET B 55 31.973 12.756 -36.905 1.00 0.00 H new ATOM 0 HB2 MET B 55 32.296 10.199 -36.767 1.00 0.00 H new ATOM 0 HB3 MET B 55 33.617 10.515 -35.660 1.00 0.00 H new ATOM 0 HG2 MET B 55 32.188 11.791 -34.201 1.00 0.00 H new ATOM 0 HG3 MET B 55 30.873 11.736 -35.358 1.00 0.00 H new ATOM 0 HE1 MET B 55 32.279 8.057 -32.910 1.00 0.00 H new ATOM 0 HE2 MET B 55 33.108 8.534 -34.411 1.00 0.00 H new ATOM 0 HE3 MET B 55 33.161 9.601 -32.988 1.00 0.00 H new ATOM 1073 N ARG B 56 35.057 13.283 -36.072 1.00 0.00 N ATOM 1074 CA ARG B 56 35.979 14.208 -35.350 1.00 0.00 C ATOM 1075 C ARG B 56 35.874 15.647 -35.809 1.00 0.00 C ATOM 1076 O ARG B 56 36.144 16.455 -34.929 1.00 0.00 O ATOM 1077 CB ARG B 56 37.410 13.605 -35.566 1.00 0.00 C ATOM 1078 CG ARG B 56 38.529 14.328 -34.800 1.00 0.00 C ATOM 1079 CD ARG B 56 39.806 13.540 -35.056 1.00 0.00 C ATOM 1080 NE ARG B 56 40.939 14.239 -34.445 1.00 0.00 N ATOM 1081 CZ ARG B 56 42.004 13.716 -33.906 1.00 0.00 C ATOM 1082 NH1 ARG B 56 42.089 12.505 -33.519 1.00 0.00 N ATOM 1083 NH2 ARG B 56 43.030 14.437 -33.705 1.00 0.00 N ATOM 0 H ARG B 56 35.539 12.687 -36.745 1.00 0.00 H new ATOM 0 HA ARG B 56 35.721 14.270 -34.293 1.00 0.00 H new ATOM 0 HB2 ARG B 56 37.398 12.558 -35.264 1.00 0.00 H new ATOM 0 HB3 ARG B 56 37.643 13.627 -36.631 1.00 0.00 H new ATOM 0 HG2 ARG B 56 38.632 15.357 -35.144 1.00 0.00 H new ATOM 0 HG3 ARG B 56 38.306 14.369 -33.734 1.00 0.00 H new ATOM 0 HD2 ARG B 56 39.717 12.536 -34.640 1.00 0.00 H new ATOM 0 HD3 ARG B 56 39.969 13.428 -36.128 1.00 0.00 H new ATOM 0 HE ARG B 56 40.888 15.258 -34.441 1.00 0.00 H new ATOM 0 HH11 ARG B 56 41.291 11.879 -33.624 1.00 0.00 H new ATOM 0 HH12 ARG B 56 42.955 12.162 -33.105 1.00 0.00 H new ATOM 0 HH21 ARG B 56 43.019 15.423 -33.965 1.00 0.00 H new ATOM 0 HH22 ARG B 56 43.865 14.030 -33.283 1.00 0.00 H new ATOM 1097 N GLN B 57 35.246 15.992 -36.954 1.00 0.00 N ATOM 1098 CA GLN B 57 34.935 17.485 -37.209 1.00 0.00 C ATOM 1099 C GLN B 57 33.696 18.004 -36.422 1.00 0.00 C ATOM 1100 O GLN B 57 33.534 19.217 -36.327 1.00 0.00 O ATOM 1101 CB GLN B 57 34.740 17.545 -38.666 1.00 0.00 C ATOM 1102 CG GLN B 57 34.412 19.008 -39.186 1.00 0.00 C ATOM 1103 CD GLN B 57 34.259 19.166 -40.710 1.00 0.00 C ATOM 1104 OE1 GLN B 57 34.648 18.370 -41.544 1.00 0.00 O ATOM 1105 NE2 GLN B 57 33.635 20.266 -41.028 1.00 0.00 N ATOM 0 H GLN B 57 34.950 15.345 -37.685 1.00 0.00 H new ATOM 0 HA GLN B 57 35.735 18.136 -36.857 1.00 0.00 H new ATOM 0 HB2 GLN B 57 35.639 17.181 -39.163 1.00 0.00 H new ATOM 0 HB3 GLN B 57 33.928 16.875 -38.947 1.00 0.00 H new ATOM 0 HG2 GLN B 57 33.489 19.342 -38.712 1.00 0.00 H new ATOM 0 HG3 GLN B 57 35.204 19.677 -38.849 1.00 0.00 H new ATOM 0 HE21 GLN B 57 33.326 20.906 -40.297 1.00 0.00 H new ATOM 0 HE22 GLN B 57 33.456 20.486 -42.008 1.00 0.00 H new ATOM 1114 N ILE B 58 32.839 17.118 -35.973 1.00 0.00 N ATOM 1115 CA ILE B 58 31.645 17.410 -35.094 1.00 0.00 C ATOM 1116 C ILE B 58 31.820 16.873 -33.674 1.00 0.00 C ATOM 1117 O ILE B 58 32.788 16.179 -33.257 1.00 0.00 O ATOM 1118 CB ILE B 58 30.300 17.015 -35.777 1.00 0.00 C ATOM 1119 CG1 ILE B 58 30.245 15.587 -36.330 1.00 0.00 C ATOM 1120 CG2 ILE B 58 29.754 18.089 -36.730 1.00 0.00 C ATOM 1121 CD1 ILE B 58 28.939 15.194 -36.897 1.00 0.00 C ATOM 0 H ILE B 58 32.924 16.127 -36.197 1.00 0.00 H new ATOM 0 HA ILE B 58 31.588 18.492 -34.971 1.00 0.00 H new ATOM 0 HB ILE B 58 29.586 16.984 -34.954 1.00 0.00 H new ATOM 0 HG12 ILE B 58 31.007 15.481 -37.102 1.00 0.00 H new ATOM 0 HG13 ILE B 58 30.502 14.892 -35.531 1.00 0.00 H new ATOM 0 HG21 ILE B 58 28.817 17.745 -37.168 1.00 0.00 H new ATOM 0 HG22 ILE B 58 29.578 19.011 -36.176 1.00 0.00 H new ATOM 0 HG23 ILE B 58 30.479 18.274 -37.523 1.00 0.00 H new ATOM 0 HD11 ILE B 58 28.995 14.169 -37.263 1.00 0.00 H new ATOM 0 HD12 ILE B 58 28.172 15.262 -36.126 1.00 0.00 H new ATOM 0 HD13 ILE B 58 28.685 15.860 -37.721 1.00 0.00 H new ATOM 1133 N ARG B 59 31.031 17.379 -32.726 1.00 0.00 N ATOM 1134 CA ARG B 59 30.793 16.834 -31.346 1.00 0.00 C ATOM 1135 C ARG B 59 29.337 16.633 -31.023 1.00 0.00 C ATOM 1136 O ARG B 59 28.502 17.254 -31.704 1.00 0.00 O ATOM 1137 CB ARG B 59 31.527 17.754 -30.349 1.00 0.00 C ATOM 1138 CG ARG B 59 33.077 17.751 -30.298 1.00 0.00 C ATOM 1139 CD ARG B 59 33.790 16.437 -29.868 1.00 0.00 C ATOM 1140 NE ARG B 59 35.229 16.468 -30.047 1.00 0.00 N ATOM 1141 CZ ARG B 59 35.900 16.608 -31.150 1.00 0.00 C ATOM 1142 NH1 ARG B 59 35.341 16.657 -32.290 1.00 0.00 N ATOM 1143 NH2 ARG B 59 37.167 16.703 -31.134 1.00 0.00 N ATOM 0 H ARG B 59 30.498 18.233 -32.889 1.00 0.00 H new ATOM 0 HA ARG B 59 31.200 15.825 -31.276 1.00 0.00 H new ATOM 0 HB2 ARG B 59 31.210 18.776 -30.555 1.00 0.00 H new ATOM 0 HB3 ARG B 59 31.168 17.504 -29.351 1.00 0.00 H new ATOM 0 HG2 ARG B 59 33.444 18.022 -31.288 1.00 0.00 H new ATOM 0 HG3 ARG B 59 33.390 18.540 -29.615 1.00 0.00 H new ATOM 0 HD2 ARG B 59 33.568 16.240 -28.819 1.00 0.00 H new ATOM 0 HD3 ARG B 59 33.379 15.607 -30.442 1.00 0.00 H new ATOM 0 HE ARG B 59 35.785 16.367 -29.198 1.00 0.00 H new ATOM 0 HH11 ARG B 59 34.326 16.585 -32.364 1.00 0.00 H new ATOM 0 HH12 ARG B 59 35.907 16.768 -33.131 1.00 0.00 H new ATOM 0 HH21 ARG B 59 37.670 16.670 -30.247 1.00 0.00 H new ATOM 0 HH22 ARG B 59 37.681 16.813 -32.008 1.00 0.00 H new ATOM 1157 N PHE B 60 29.060 15.831 -30.004 1.00 0.00 N ATOM 1158 CA PHE B 60 27.649 15.417 -29.678 1.00 0.00 C ATOM 1159 C PHE B 60 27.446 15.479 -28.186 1.00 0.00 C ATOM 1160 O PHE B 60 28.445 15.072 -27.475 1.00 0.00 O ATOM 1161 CB PHE B 60 27.196 13.979 -30.219 1.00 0.00 C ATOM 1162 CG PHE B 60 27.316 13.907 -31.731 1.00 0.00 C ATOM 1163 CD1 PHE B 60 28.575 13.470 -32.369 1.00 0.00 C ATOM 1164 CD2 PHE B 60 26.206 14.044 -32.541 1.00 0.00 C ATOM 1165 CE1 PHE B 60 28.630 13.307 -33.726 1.00 0.00 C ATOM 1166 CE2 PHE B 60 26.255 13.855 -33.923 1.00 0.00 C ATOM 1167 CZ PHE B 60 27.441 13.454 -34.523 1.00 0.00 C ATOM 0 H PHE B 60 29.766 15.443 -29.379 1.00 0.00 H new ATOM 0 HA PHE B 60 27.015 16.127 -30.210 1.00 0.00 H new ATOM 0 HB2 PHE B 60 27.813 13.204 -29.764 1.00 0.00 H new ATOM 0 HB3 PHE B 60 26.166 13.782 -29.922 1.00 0.00 H new ATOM 0 HD1 PHE B 60 29.450 13.280 -31.765 1.00 0.00 H new ATOM 0 HD2 PHE B 60 25.262 14.308 -32.087 1.00 0.00 H new ATOM 0 HE1 PHE B 60 29.570 13.067 -34.201 1.00 0.00 H new ATOM 0 HE2 PHE B 60 25.373 14.020 -34.524 1.00 0.00 H new ATOM 0 HZ PHE B 60 27.471 13.253 -35.584 1.00 0.00 H new ATOM 1177 N ARG B 61 26.256 15.926 -27.685 1.00 0.00 N ATOM 1178 CA ARG B 61 25.825 15.982 -26.274 1.00 0.00 C ATOM 1179 C ARG B 61 24.388 15.545 -26.095 1.00 0.00 C ATOM 1180 O ARG B 61 23.469 15.851 -26.868 1.00 0.00 O ATOM 1181 CB ARG B 61 25.970 17.422 -25.671 1.00 0.00 C ATOM 1182 CG ARG B 61 27.353 18.046 -25.735 1.00 0.00 C ATOM 1183 CD ARG B 61 27.478 19.266 -24.787 1.00 0.00 C ATOM 1184 NE ARG B 61 28.856 19.857 -24.831 1.00 0.00 N ATOM 1185 CZ ARG B 61 29.163 21.065 -24.405 1.00 0.00 C ATOM 1186 NH1 ARG B 61 28.308 21.942 -23.997 1.00 0.00 N ATOM 1187 NH2 ARG B 61 30.427 21.461 -24.491 1.00 0.00 N ATOM 0 H ARG B 61 25.530 16.279 -28.309 1.00 0.00 H new ATOM 0 HA ARG B 61 26.484 15.293 -25.746 1.00 0.00 H new ATOM 0 HB2 ARG B 61 25.274 18.081 -26.190 1.00 0.00 H new ATOM 0 HB3 ARG B 61 25.659 17.388 -24.627 1.00 0.00 H new ATOM 0 HG2 ARG B 61 28.101 17.300 -25.468 1.00 0.00 H new ATOM 0 HG3 ARG B 61 27.564 18.357 -26.758 1.00 0.00 H new ATOM 0 HD2 ARG B 61 26.747 20.024 -25.069 1.00 0.00 H new ATOM 0 HD3 ARG B 61 27.244 18.961 -23.767 1.00 0.00 H new ATOM 0 HE ARG B 61 29.607 19.284 -25.217 1.00 0.00 H new ATOM 0 HH11 ARG B 61 27.313 21.719 -23.990 1.00 0.00 H new ATOM 0 HH12 ARG B 61 28.628 22.858 -23.682 1.00 0.00 H new ATOM 0 HH21 ARG B 61 31.132 20.835 -24.879 1.00 0.00 H new ATOM 0 HH22 ARG B 61 30.693 22.391 -24.169 1.00 0.00 H new ATOM 1201 N PHE B 62 24.173 15.098 -24.875 1.00 0.00 N ATOM 1202 CA PHE B 62 22.838 14.948 -24.242 1.00 0.00 C ATOM 1203 C PHE B 62 22.905 15.124 -22.710 1.00 0.00 C ATOM 1204 O PHE B 62 24.024 14.993 -22.170 1.00 0.00 O ATOM 1205 CB PHE B 62 22.365 13.500 -24.557 1.00 0.00 C ATOM 1206 CG PHE B 62 21.123 13.041 -23.778 1.00 0.00 C ATOM 1207 CD1 PHE B 62 19.913 13.630 -24.033 1.00 0.00 C ATOM 1208 CD2 PHE B 62 21.194 12.079 -22.817 1.00 0.00 C ATOM 1209 CE1 PHE B 62 18.796 13.361 -23.233 1.00 0.00 C ATOM 1210 CE2 PHE B 62 20.101 11.810 -21.994 1.00 0.00 C ATOM 1211 CZ PHE B 62 18.910 12.472 -22.195 1.00 0.00 C ATOM 0 H PHE B 62 24.935 14.814 -24.259 1.00 0.00 H new ATOM 0 HA PHE B 62 22.160 15.709 -24.629 1.00 0.00 H new ATOM 0 HB2 PHE B 62 22.154 13.426 -25.624 1.00 0.00 H new ATOM 0 HB3 PHE B 62 23.183 12.812 -24.345 1.00 0.00 H new ATOM 0 HD1 PHE B 62 19.819 14.313 -24.864 1.00 0.00 H new ATOM 0 HD2 PHE B 62 22.108 11.518 -22.691 1.00 0.00 H new ATOM 0 HE1 PHE B 62 17.853 13.849 -23.431 1.00 0.00 H new ATOM 0 HE2 PHE B 62 20.188 11.083 -21.200 1.00 0.00 H new ATOM 0 HZ PHE B 62 18.071 12.292 -21.539 1.00 0.00 H new ATOM 1221 N ASP B 63 21.848 15.463 -21.960 1.00 0.00 N ATOM 1222 CA ASP B 63 21.975 15.913 -20.548 1.00 0.00 C ATOM 1223 C ASP B 63 23.122 16.856 -20.235 1.00 0.00 C ATOM 1224 O ASP B 63 23.804 16.756 -19.242 1.00 0.00 O ATOM 1225 CB ASP B 63 21.779 14.736 -19.578 1.00 0.00 C ATOM 1226 CG ASP B 63 21.484 15.120 -18.135 1.00 0.00 C ATOM 1227 OD1 ASP B 63 21.033 16.270 -17.859 1.00 0.00 O ATOM 1228 OD2 ASP B 63 21.774 14.346 -17.190 1.00 0.00 O ATOM 0 H ASP B 63 20.887 15.437 -22.300 1.00 0.00 H new ATOM 0 HA ASP B 63 21.144 16.597 -20.376 1.00 0.00 H new ATOM 0 HB2 ASP B 63 20.961 14.117 -19.946 1.00 0.00 H new ATOM 0 HB3 ASP B 63 22.678 14.120 -19.595 1.00 0.00 H new ATOM 1233 N GLY B 64 23.391 17.840 -21.185 1.00 0.00 N ATOM 1234 CA GLY B 64 24.560 18.808 -21.056 1.00 0.00 C ATOM 1235 C GLY B 64 25.874 18.220 -21.158 1.00 0.00 C ATOM 1236 O GLY B 64 26.851 18.937 -21.415 1.00 0.00 O ATOM 0 H GLY B 64 22.829 17.979 -22.025 1.00 0.00 H new ATOM 0 HA2 GLY B 64 24.463 19.571 -21.828 1.00 0.00 H new ATOM 0 HA3 GLY B 64 24.483 19.316 -20.095 1.00 0.00 H new ATOM 1240 N GLN B 65 25.983 16.906 -21.013 1.00 0.00 N ATOM 1241 CA GLN B 65 27.191 16.101 -21.159 1.00 0.00 C ATOM 1242 C GLN B 65 27.547 15.831 -22.582 1.00 0.00 C ATOM 1243 O GLN B 65 26.732 15.374 -23.343 1.00 0.00 O ATOM 1244 CB GLN B 65 27.036 14.823 -20.356 1.00 0.00 C ATOM 1245 CG GLN B 65 26.683 14.959 -18.880 1.00 0.00 C ATOM 1246 CD GLN B 65 26.998 16.312 -18.258 1.00 0.00 C ATOM 1247 OE1 GLN B 65 28.241 16.662 -18.033 1.00 0.00 O flip ATOM 1248 NE2 GLN B 65 26.098 17.145 -17.942 1.00 0.00 N flip ATOM 0 H GLN B 65 25.173 16.334 -20.773 1.00 0.00 H new ATOM 0 HA GLN B 65 28.031 16.674 -20.765 1.00 0.00 H new ATOM 0 HB2 GLN B 65 26.264 14.218 -20.832 1.00 0.00 H new ATOM 0 HB3 GLN B 65 27.969 14.265 -20.429 1.00 0.00 H new ATOM 0 HG2 GLN B 65 25.618 14.761 -18.758 1.00 0.00 H new ATOM 0 HG3 GLN B 65 27.216 14.189 -18.323 1.00 0.00 H new ATOM 0 HE21 GLN B 65 25.116 16.918 -18.098 1.00 0.00 H new ATOM 0 HE22 GLN B 65 26.355 18.043 -17.532 1.00 0.00 H new ATOM 1257 N PRO B 66 28.850 15.848 -22.945 1.00 0.00 N ATOM 1258 CA PRO B 66 29.454 15.198 -24.153 1.00 0.00 C ATOM 1259 C PRO B 66 29.325 13.589 -24.233 1.00 0.00 C ATOM 1260 O PRO B 66 29.289 12.896 -23.159 1.00 0.00 O ATOM 1261 CB PRO B 66 30.917 15.641 -24.250 1.00 0.00 C ATOM 1262 CG PRO B 66 30.917 16.895 -23.438 1.00 0.00 C ATOM 1263 CD PRO B 66 29.952 16.650 -22.300 1.00 0.00 C ATOM 0 HA PRO B 66 28.870 15.535 -25.010 1.00 0.00 H new ATOM 0 HB2 PRO B 66 31.598 14.892 -23.844 1.00 0.00 H new ATOM 0 HB3 PRO B 66 31.221 15.823 -25.281 1.00 0.00 H new ATOM 0 HG2 PRO B 66 31.916 17.117 -23.062 1.00 0.00 H new ATOM 0 HG3 PRO B 66 30.605 17.749 -24.038 1.00 0.00 H new ATOM 0 HD2 PRO B 66 30.423 16.102 -21.484 1.00 0.00 H new ATOM 0 HD3 PRO B 66 29.578 17.584 -21.882 1.00 0.00 H new ATOM 1271 N ILE B 67 29.118 12.986 -25.399 1.00 0.00 N ATOM 1272 CA ILE B 67 28.855 11.538 -25.483 1.00 0.00 C ATOM 1273 C ILE B 67 30.136 10.615 -25.647 1.00 0.00 C ATOM 1274 O ILE B 67 30.915 10.907 -26.561 1.00 0.00 O ATOM 1275 CB ILE B 67 27.870 11.305 -26.659 1.00 0.00 C ATOM 1276 CG1 ILE B 67 26.497 11.952 -26.223 1.00 0.00 C ATOM 1277 CG2 ILE B 67 27.773 9.823 -27.016 1.00 0.00 C ATOM 1278 CD1 ILE B 67 25.298 11.564 -27.124 1.00 0.00 C ATOM 0 H ILE B 67 29.125 13.467 -26.299 1.00 0.00 H new ATOM 0 HA ILE B 67 28.436 11.239 -24.522 1.00 0.00 H new ATOM 0 HB ILE B 67 28.213 11.777 -27.580 1.00 0.00 H new ATOM 0 HG12 ILE B 67 26.278 11.655 -25.197 1.00 0.00 H new ATOM 0 HG13 ILE B 67 26.602 13.037 -26.225 1.00 0.00 H new ATOM 0 HG21 ILE B 67 27.075 9.693 -27.843 1.00 0.00 H new ATOM 0 HG22 ILE B 67 28.756 9.454 -27.309 1.00 0.00 H new ATOM 0 HG23 ILE B 67 27.418 9.263 -26.151 1.00 0.00 H new ATOM 0 HD11 ILE B 67 24.394 12.050 -26.756 1.00 0.00 H new ATOM 0 HD12 ILE B 67 25.492 11.886 -28.147 1.00 0.00 H new ATOM 0 HD13 ILE B 67 25.162 10.483 -27.104 1.00 0.00 H new ATOM 1290 N ASN B 68 30.352 9.599 -24.860 1.00 0.00 N ATOM 1291 CA ASN B 68 31.445 8.660 -25.166 1.00 0.00 C ATOM 1292 C ASN B 68 30.965 7.678 -26.243 1.00 0.00 C ATOM 1293 O ASN B 68 29.753 7.326 -26.433 1.00 0.00 O ATOM 1294 CB ASN B 68 31.815 7.912 -23.867 1.00 0.00 C ATOM 1295 CG ASN B 68 32.862 8.662 -23.082 1.00 0.00 C ATOM 1296 OD1 ASN B 68 34.068 8.326 -23.054 1.00 0.00 O ATOM 1297 ND2 ASN B 68 32.390 9.706 -22.425 1.00 0.00 N ATOM 0 H ASN B 68 29.814 9.385 -24.020 1.00 0.00 H new ATOM 0 HA ASN B 68 32.324 9.185 -25.540 1.00 0.00 H new ATOM 0 HB2 ASN B 68 30.923 7.780 -23.254 1.00 0.00 H new ATOM 0 HB3 ASN B 68 32.184 6.916 -24.111 1.00 0.00 H new ATOM 0 HD21 ASN B 68 33.017 10.280 -21.862 1.00 0.00 H new ATOM 0 HD22 ASN B 68 31.398 9.938 -22.481 1.00 0.00 H new ATOM 1304 N GLU B 69 31.967 7.267 -27.070 1.00 0.00 N ATOM 1305 CA GLU B 69 31.932 6.215 -28.056 1.00 0.00 C ATOM 1306 C GLU B 69 31.646 4.795 -27.467 1.00 0.00 C ATOM 1307 O GLU B 69 31.692 3.785 -28.185 1.00 0.00 O ATOM 1308 CB GLU B 69 33.066 6.309 -29.059 1.00 0.00 C ATOM 1309 CG GLU B 69 33.279 7.666 -29.709 1.00 0.00 C ATOM 1310 CD GLU B 69 34.359 7.673 -30.756 1.00 0.00 C ATOM 1311 OE1 GLU B 69 34.897 6.648 -31.146 1.00 0.00 O ATOM 1312 OE2 GLU B 69 34.742 8.811 -31.129 1.00 0.00 O ATOM 0 H GLU B 69 32.882 7.717 -27.040 1.00 0.00 H new ATOM 0 HA GLU B 69 31.042 6.391 -28.659 1.00 0.00 H new ATOM 0 HB2 GLU B 69 33.990 6.021 -28.558 1.00 0.00 H new ATOM 0 HB3 GLU B 69 32.888 5.577 -29.846 1.00 0.00 H new ATOM 0 HG2 GLU B 69 32.343 7.992 -30.163 1.00 0.00 H new ATOM 0 HG3 GLU B 69 33.529 8.393 -28.937 1.00 0.00 H new ATOM 1319 N THR B 70 31.258 4.749 -26.197 1.00 0.00 N ATOM 1320 CA THR B 70 30.957 3.522 -25.461 1.00 0.00 C ATOM 1321 C THR B 70 29.511 3.259 -24.981 1.00 0.00 C ATOM 1322 O THR B 70 29.199 2.119 -24.593 1.00 0.00 O ATOM 1323 CB THR B 70 31.924 3.491 -24.292 1.00 0.00 C ATOM 1324 OG1 THR B 70 31.737 4.460 -23.287 1.00 0.00 O ATOM 1325 CG2 THR B 70 33.406 3.471 -24.620 1.00 0.00 C ATOM 0 H THR B 70 31.140 5.590 -25.632 1.00 0.00 H new ATOM 0 HA THR B 70 31.072 2.712 -26.182 1.00 0.00 H new ATOM 0 HB THR B 70 31.634 2.513 -23.908 1.00 0.00 H new ATOM 0 HG1 THR B 70 30.913 4.265 -22.793 1.00 0.00 H new ATOM 0 HG21 THR B 70 33.983 3.450 -23.695 1.00 0.00 H new ATOM 0 HG22 THR B 70 33.636 2.585 -25.212 1.00 0.00 H new ATOM 0 HG23 THR B 70 33.665 4.364 -25.189 1.00 0.00 H new ATOM 1333 N ASP B 71 28.668 4.242 -25.201 1.00 0.00 N ATOM 1334 CA ASP B 71 27.442 4.207 -24.509 1.00 0.00 C ATOM 1335 C ASP B 71 26.216 3.974 -25.509 1.00 0.00 C ATOM 1336 O ASP B 71 26.351 4.052 -26.706 1.00 0.00 O ATOM 1337 CB ASP B 71 27.263 5.441 -23.583 1.00 0.00 C ATOM 1338 CG ASP B 71 28.465 5.653 -22.622 1.00 0.00 C ATOM 1339 OD1 ASP B 71 29.352 4.794 -22.447 1.00 0.00 O ATOM 1340 OD2 ASP B 71 28.527 6.695 -21.986 1.00 0.00 O ATOM 0 H ASP B 71 28.815 5.033 -25.828 1.00 0.00 H new ATOM 0 HA ASP B 71 27.456 3.345 -23.843 1.00 0.00 H new ATOM 0 HB2 ASP B 71 27.132 6.333 -24.196 1.00 0.00 H new ATOM 0 HB3 ASP B 71 26.352 5.320 -22.997 1.00 0.00 H new ATOM 1345 N THR B 72 25.040 3.634 -24.894 1.00 0.00 N ATOM 1346 CA THR B 72 23.823 3.191 -25.473 1.00 0.00 C ATOM 1347 C THR B 72 22.742 4.020 -24.857 1.00 0.00 C ATOM 1348 O THR B 72 22.898 4.584 -23.746 1.00 0.00 O ATOM 1349 CB THR B 72 23.642 1.669 -25.238 1.00 0.00 C ATOM 1350 OG1 THR B 72 23.328 1.463 -23.886 1.00 0.00 O ATOM 1351 CG2 THR B 72 24.835 0.830 -25.555 1.00 0.00 C ATOM 0 H THR B 72 24.961 3.684 -23.878 1.00 0.00 H new ATOM 0 HA THR B 72 23.803 3.319 -26.555 1.00 0.00 H new ATOM 0 HB THR B 72 22.852 1.358 -25.922 1.00 0.00 H new ATOM 0 HG1 THR B 72 23.208 0.505 -23.720 1.00 0.00 H new ATOM 0 HG21 THR B 72 24.606 -0.217 -25.357 1.00 0.00 H new ATOM 0 HG22 THR B 72 25.097 0.952 -26.606 1.00 0.00 H new ATOM 0 HG23 THR B 72 25.674 1.142 -24.933 1.00 0.00 H new ATOM 1359 N PRO B 73 21.455 3.986 -25.384 1.00 0.00 N ATOM 1360 CA PRO B 73 20.354 4.737 -24.745 1.00 0.00 C ATOM 1361 C PRO B 73 19.925 4.293 -23.329 1.00 0.00 C ATOM 1362 O PRO B 73 19.807 5.100 -22.403 1.00 0.00 O ATOM 1363 CB PRO B 73 19.218 4.684 -25.775 1.00 0.00 C ATOM 1364 CG PRO B 73 19.857 4.293 -27.093 1.00 0.00 C ATOM 1365 CD PRO B 73 21.147 3.568 -26.705 1.00 0.00 C ATOM 0 HA PRO B 73 20.687 5.749 -24.517 1.00 0.00 H new ATOM 0 HB2 PRO B 73 18.459 3.959 -25.480 1.00 0.00 H new ATOM 0 HB3 PRO B 73 18.721 5.651 -25.856 1.00 0.00 H new ATOM 0 HG2 PRO B 73 19.200 3.646 -27.674 1.00 0.00 H new ATOM 0 HG3 PRO B 73 20.066 5.170 -27.706 1.00 0.00 H new ATOM 0 HD2 PRO B 73 21.015 2.487 -26.750 1.00 0.00 H new ATOM 0 HD3 PRO B 73 21.956 3.819 -27.391 1.00 0.00 H new ATOM 1373 N ALA B 74 19.787 2.982 -23.102 1.00 0.00 N ATOM 1374 CA ALA B 74 19.744 2.445 -21.796 1.00 0.00 C ATOM 1375 C ALA B 74 20.855 2.753 -20.856 1.00 0.00 C ATOM 1376 O ALA B 74 20.621 3.029 -19.682 1.00 0.00 O ATOM 1377 CB ALA B 74 19.688 0.900 -21.951 1.00 0.00 C ATOM 0 H ALA B 74 19.704 2.286 -23.843 1.00 0.00 H new ATOM 0 HA ALA B 74 18.877 2.921 -21.337 1.00 0.00 H new ATOM 0 HB1 ALA B 74 19.653 0.436 -20.965 1.00 0.00 H new ATOM 0 HB2 ALA B 74 18.797 0.623 -22.514 1.00 0.00 H new ATOM 0 HB3 ALA B 74 20.575 0.555 -22.483 1.00 0.00 H new ATOM 1383 N GLN B 75 22.102 2.956 -21.327 1.00 0.00 N ATOM 1384 CA GLN B 75 23.205 3.387 -20.517 1.00 0.00 C ATOM 1385 C GLN B 75 23.167 4.913 -20.134 1.00 0.00 C ATOM 1386 O GLN B 75 23.747 5.272 -19.061 1.00 0.00 O ATOM 1387 CB GLN B 75 24.408 2.804 -21.035 1.00 0.00 C ATOM 1388 CG GLN B 75 25.760 2.929 -20.369 1.00 0.00 C ATOM 1389 CD GLN B 75 25.852 2.210 -19.028 1.00 0.00 C ATOM 1390 OE1 GLN B 75 25.237 1.199 -18.811 1.00 0.00 O ATOM 1391 NE2 GLN B 75 26.592 2.690 -18.049 1.00 0.00 N ATOM 0 H GLN B 75 22.351 2.815 -22.306 1.00 0.00 H new ATOM 0 HA GLN B 75 23.136 2.996 -19.502 1.00 0.00 H new ATOM 0 HB2 GLN B 75 24.213 1.736 -21.131 1.00 0.00 H new ATOM 0 HB3 GLN B 75 24.528 3.198 -22.044 1.00 0.00 H new ATOM 0 HG2 GLN B 75 26.523 2.530 -21.038 1.00 0.00 H new ATOM 0 HG3 GLN B 75 25.986 3.985 -20.221 1.00 0.00 H new ATOM 0 HE21 GLN B 75 27.130 3.545 -18.189 1.00 0.00 H new ATOM 0 HE22 GLN B 75 26.627 2.206 -17.152 1.00 0.00 H new ATOM 1400 N LEU B 76 22.529 5.820 -20.860 1.00 0.00 N ATOM 1401 CA LEU B 76 22.245 7.194 -20.460 1.00 0.00 C ATOM 1402 C LEU B 76 20.843 7.485 -20.028 1.00 0.00 C ATOM 1403 O LEU B 76 20.418 8.657 -19.964 1.00 0.00 O ATOM 1404 CB LEU B 76 22.605 8.217 -21.628 1.00 0.00 C ATOM 1405 CG LEU B 76 23.931 8.083 -22.276 1.00 0.00 C ATOM 1406 CD1 LEU B 76 24.214 9.209 -23.299 1.00 0.00 C ATOM 1407 CD2 LEU B 76 25.065 8.116 -21.292 1.00 0.00 C ATOM 0 H LEU B 76 22.176 5.608 -21.793 1.00 0.00 H new ATOM 0 HA LEU B 76 22.877 7.323 -19.582 1.00 0.00 H new ATOM 0 HB2 LEU B 76 21.843 8.125 -22.402 1.00 0.00 H new ATOM 0 HB3 LEU B 76 22.529 9.227 -21.225 1.00 0.00 H new ATOM 0 HG LEU B 76 23.881 7.114 -22.773 1.00 0.00 H new ATOM 0 HD11 LEU B 76 25.199 9.059 -23.742 1.00 0.00 H new ATOM 0 HD12 LEU B 76 23.457 9.187 -24.083 1.00 0.00 H new ATOM 0 HD13 LEU B 76 24.186 10.175 -22.794 1.00 0.00 H new ATOM 0 HD21 LEU B 76 26.011 8.014 -21.824 1.00 0.00 H new ATOM 0 HD22 LEU B 76 25.052 9.064 -20.753 1.00 0.00 H new ATOM 0 HD23 LEU B 76 24.956 7.295 -20.584 1.00 0.00 H new ATOM 1419 N GLU B 77 20.115 6.433 -19.543 1.00 0.00 N ATOM 1420 CA GLU B 77 18.759 6.400 -19.034 1.00 0.00 C ATOM 1421 C GLU B 77 17.774 7.135 -19.948 1.00 0.00 C ATOM 1422 O GLU B 77 16.975 8.050 -19.533 1.00 0.00 O ATOM 1423 CB GLU B 77 18.741 6.955 -17.581 1.00 0.00 C ATOM 1424 CG GLU B 77 19.617 6.102 -16.708 1.00 0.00 C ATOM 1425 CD GLU B 77 19.078 4.702 -16.408 1.00 0.00 C ATOM 1426 OE1 GLU B 77 17.841 4.411 -16.566 1.00 0.00 O ATOM 1427 OE2 GLU B 77 19.876 3.804 -16.040 1.00 0.00 O ATOM 0 H GLU B 77 20.533 5.503 -19.507 1.00 0.00 H new ATOM 0 HA GLU B 77 18.420 5.364 -19.017 1.00 0.00 H new ATOM 0 HB2 GLU B 77 19.093 7.987 -17.570 1.00 0.00 H new ATOM 0 HB3 GLU B 77 17.721 6.962 -17.196 1.00 0.00 H new ATOM 0 HG2 GLU B 77 20.592 6.003 -17.186 1.00 0.00 H new ATOM 0 HG3 GLU B 77 19.776 6.622 -15.763 1.00 0.00 H new ATOM 1434 N MET B 78 17.979 7.004 -21.269 1.00 0.00 N ATOM 1435 CA MET B 78 17.226 7.823 -22.302 1.00 0.00 C ATOM 1436 C MET B 78 15.737 7.344 -22.467 1.00 0.00 C ATOM 1437 O MET B 78 15.375 6.165 -22.399 1.00 0.00 O ATOM 1438 CB MET B 78 18.037 7.755 -23.637 1.00 0.00 C ATOM 1439 CG MET B 78 19.518 8.347 -23.480 1.00 0.00 C ATOM 1440 SD MET B 78 20.362 8.500 -25.127 1.00 0.00 S ATOM 1441 CE MET B 78 19.434 9.955 -25.844 1.00 0.00 C ATOM 0 H MET B 78 18.651 6.350 -21.670 1.00 0.00 H new ATOM 0 HA MET B 78 17.147 8.860 -21.977 1.00 0.00 H new ATOM 0 HB2 MET B 78 18.096 6.719 -23.971 1.00 0.00 H new ATOM 0 HB3 MET B 78 17.506 8.310 -24.411 1.00 0.00 H new ATOM 0 HG2 MET B 78 19.472 9.325 -23.000 1.00 0.00 H new ATOM 0 HG3 MET B 78 20.104 7.699 -22.828 1.00 0.00 H new ATOM 0 HE1 MET B 78 19.292 9.804 -26.914 1.00 0.00 H new ATOM 0 HE2 MET B 78 18.462 10.042 -25.358 1.00 0.00 H new ATOM 0 HE3 MET B 78 20.006 10.868 -25.679 1.00 0.00 H new ATOM 1451 N GLU B 79 14.836 8.255 -22.790 1.00 0.00 N ATOM 1452 CA GLU B 79 13.374 8.132 -22.980 1.00 0.00 C ATOM 1453 C GLU B 79 13.114 8.636 -24.387 1.00 0.00 C ATOM 1454 O GLU B 79 13.888 9.485 -24.939 1.00 0.00 O ATOM 1455 CB GLU B 79 12.622 9.047 -21.912 1.00 0.00 C ATOM 1456 CG GLU B 79 12.899 8.541 -20.451 1.00 0.00 C ATOM 1457 CD GLU B 79 12.238 7.120 -20.244 1.00 0.00 C ATOM 1458 OE1 GLU B 79 11.213 6.760 -20.891 1.00 0.00 O ATOM 1459 OE2 GLU B 79 12.788 6.334 -19.439 1.00 0.00 O ATOM 0 H GLU B 79 15.132 9.218 -22.947 1.00 0.00 H new ATOM 0 HA GLU B 79 13.017 7.111 -22.846 1.00 0.00 H new ATOM 0 HB2 GLU B 79 12.955 10.080 -22.013 1.00 0.00 H new ATOM 0 HB3 GLU B 79 11.550 9.037 -22.108 1.00 0.00 H new ATOM 0 HG2 GLU B 79 13.973 8.482 -20.274 1.00 0.00 H new ATOM 0 HG3 GLU B 79 12.495 9.249 -19.728 1.00 0.00 H new ATOM 1466 N ASP B 80 11.922 8.308 -24.975 1.00 0.00 N ATOM 1467 CA ASP B 80 11.550 8.810 -26.335 1.00 0.00 C ATOM 1468 C ASP B 80 11.367 10.340 -26.330 1.00 0.00 C ATOM 1469 O ASP B 80 11.022 10.874 -25.269 1.00 0.00 O ATOM 1470 CB ASP B 80 10.283 7.985 -26.795 1.00 0.00 C ATOM 1471 CG ASP B 80 10.368 6.534 -26.422 1.00 0.00 C ATOM 1472 OD1 ASP B 80 10.302 6.165 -25.205 1.00 0.00 O ATOM 1473 OD2 ASP B 80 10.467 5.650 -27.325 1.00 0.00 O ATOM 0 H ASP B 80 11.218 7.712 -24.539 1.00 0.00 H new ATOM 0 HA ASP B 80 12.342 8.650 -27.067 1.00 0.00 H new ATOM 0 HB2 ASP B 80 9.390 8.419 -26.346 1.00 0.00 H new ATOM 0 HB3 ASP B 80 10.171 8.072 -27.876 1.00 0.00 H new ATOM 1478 N GLU B 81 11.639 11.030 -27.457 1.00 0.00 N ATOM 1479 CA GLU B 81 11.709 12.525 -27.539 1.00 0.00 C ATOM 1480 C GLU B 81 12.711 13.298 -26.667 1.00 0.00 C ATOM 1481 O GLU B 81 12.672 14.524 -26.694 1.00 0.00 O ATOM 1482 CB GLU B 81 10.291 13.104 -27.571 1.00 0.00 C ATOM 1483 CG GLU B 81 9.390 12.522 -28.674 1.00 0.00 C ATOM 1484 CD GLU B 81 8.035 13.272 -28.872 1.00 0.00 C ATOM 1485 OE1 GLU B 81 7.263 13.400 -27.864 1.00 0.00 O ATOM 1486 OE2 GLU B 81 7.705 13.798 -29.916 1.00 0.00 O ATOM 0 H GLU B 81 11.820 10.572 -28.350 1.00 0.00 H new ATOM 0 HA GLU B 81 12.214 12.709 -28.487 1.00 0.00 H new ATOM 0 HB2 GLU B 81 9.819 12.930 -26.604 1.00 0.00 H new ATOM 0 HB3 GLU B 81 10.356 14.184 -27.704 1.00 0.00 H new ATOM 0 HG2 GLU B 81 9.938 12.535 -29.616 1.00 0.00 H new ATOM 0 HG3 GLU B 81 9.181 11.478 -28.441 1.00 0.00 H new ATOM 1493 N ASP B 82 13.658 12.560 -26.050 1.00 0.00 N ATOM 1494 CA ASP B 82 14.967 13.132 -25.674 1.00 0.00 C ATOM 1495 C ASP B 82 15.711 13.509 -26.892 1.00 0.00 C ATOM 1496 O ASP B 82 15.712 12.786 -27.927 1.00 0.00 O ATOM 1497 CB ASP B 82 15.821 12.069 -24.866 1.00 0.00 C ATOM 1498 CG ASP B 82 15.419 11.914 -23.345 1.00 0.00 C ATOM 1499 OD1 ASP B 82 14.587 12.743 -22.851 1.00 0.00 O ATOM 1500 OD2 ASP B 82 15.837 10.910 -22.730 1.00 0.00 O ATOM 0 H ASP B 82 13.542 11.577 -25.804 1.00 0.00 H new ATOM 0 HA ASP B 82 14.796 14.010 -25.051 1.00 0.00 H new ATOM 0 HB2 ASP B 82 15.724 11.099 -25.354 1.00 0.00 H new ATOM 0 HB3 ASP B 82 16.873 12.350 -24.923 1.00 0.00 H new ATOM 1505 N THR B 83 16.509 14.628 -26.816 1.00 0.00 N ATOM 1506 CA THR B 83 17.300 15.131 -27.962 1.00 0.00 C ATOM 1507 C THR B 83 18.852 15.170 -27.827 1.00 0.00 C ATOM 1508 O THR B 83 19.323 15.989 -27.056 1.00 0.00 O ATOM 1509 CB THR B 83 16.793 16.521 -28.372 1.00 0.00 C ATOM 1510 OG1 THR B 83 15.400 16.608 -28.540 1.00 0.00 O ATOM 1511 CG2 THR B 83 17.320 17.137 -29.684 1.00 0.00 C ATOM 0 H THR B 83 16.611 15.187 -25.969 1.00 0.00 H new ATOM 0 HA THR B 83 17.131 14.372 -28.725 1.00 0.00 H new ATOM 0 HB THR B 83 17.183 17.064 -27.511 1.00 0.00 H new ATOM 0 HG1 THR B 83 15.173 17.469 -28.950 1.00 0.00 H new ATOM 0 HG21 THR B 83 16.869 18.118 -29.832 1.00 0.00 H new ATOM 0 HG22 THR B 83 18.404 17.241 -29.628 1.00 0.00 H new ATOM 0 HG23 THR B 83 17.061 16.488 -30.520 1.00 0.00 H new ATOM 1519 N ILE B 84 19.644 14.381 -28.605 1.00 0.00 N ATOM 1520 CA ILE B 84 21.066 14.581 -28.847 1.00 0.00 C ATOM 1521 C ILE B 84 21.409 15.835 -29.631 1.00 0.00 C ATOM 1522 O ILE B 84 20.804 16.073 -30.702 1.00 0.00 O ATOM 1523 CB ILE B 84 21.693 13.338 -29.457 1.00 0.00 C ATOM 1524 CG1 ILE B 84 21.372 12.046 -28.622 1.00 0.00 C ATOM 1525 CG2 ILE B 84 23.172 13.455 -29.499 1.00 0.00 C ATOM 1526 CD1 ILE B 84 21.718 10.745 -29.375 1.00 0.00 C ATOM 0 H ILE B 84 19.277 13.562 -29.091 1.00 0.00 H new ATOM 0 HA ILE B 84 21.508 14.750 -27.865 1.00 0.00 H new ATOM 0 HB ILE B 84 21.272 13.255 -30.459 1.00 0.00 H new ATOM 0 HG12 ILE B 84 21.929 12.077 -27.685 1.00 0.00 H new ATOM 0 HG13 ILE B 84 20.313 12.040 -28.364 1.00 0.00 H new ATOM 0 HG21 ILE B 84 23.596 12.553 -29.940 1.00 0.00 H new ATOM 0 HG22 ILE B 84 23.452 14.319 -30.102 1.00 0.00 H new ATOM 0 HG23 ILE B 84 23.556 13.579 -28.486 1.00 0.00 H new ATOM 0 HD11 ILE B 84 21.475 9.887 -28.749 1.00 0.00 H new ATOM 0 HD12 ILE B 84 21.142 10.695 -30.299 1.00 0.00 H new ATOM 0 HD13 ILE B 84 22.782 10.733 -29.610 1.00 0.00 H new ATOM 1538 N ASP B 85 22.135 16.691 -29.015 1.00 0.00 N ATOM 1539 CA ASP B 85 22.675 17.957 -29.614 1.00 0.00 C ATOM 1540 C ASP B 85 23.963 17.716 -30.401 1.00 0.00 C ATOM 1541 O ASP B 85 24.909 17.051 -29.896 1.00 0.00 O ATOM 1542 CB ASP B 85 22.959 18.921 -28.483 1.00 0.00 C ATOM 1543 CG ASP B 85 21.788 19.562 -27.776 1.00 0.00 C ATOM 1544 OD1 ASP B 85 20.858 19.943 -28.431 1.00 0.00 O ATOM 1545 OD2 ASP B 85 21.761 19.583 -26.496 1.00 0.00 O ATOM 0 H ASP B 85 22.407 16.569 -28.040 1.00 0.00 H new ATOM 0 HA ASP B 85 21.937 18.357 -30.309 1.00 0.00 H new ATOM 0 HB2 ASP B 85 23.549 18.391 -27.735 1.00 0.00 H new ATOM 0 HB3 ASP B 85 23.587 19.720 -28.877 1.00 0.00 H new ATOM 1550 N VAL B 86 24.064 18.314 -31.591 1.00 0.00 N ATOM 1551 CA VAL B 86 25.227 18.346 -32.454 1.00 0.00 C ATOM 1552 C VAL B 86 25.817 19.776 -32.578 1.00 0.00 C ATOM 1553 O VAL B 86 25.143 20.734 -32.847 1.00 0.00 O ATOM 1554 CB VAL B 86 24.847 17.795 -33.860 1.00 0.00 C ATOM 1555 CG1 VAL B 86 26.103 17.498 -34.736 1.00 0.00 C ATOM 1556 CG2 VAL B 86 23.988 16.506 -33.896 1.00 0.00 C ATOM 0 H VAL B 86 23.277 18.820 -31.996 1.00 0.00 H new ATOM 0 HA VAL B 86 25.996 17.716 -32.007 1.00 0.00 H new ATOM 0 HB VAL B 86 24.241 18.613 -34.249 1.00 0.00 H new ATOM 0 HG11 VAL B 86 25.787 17.116 -35.707 1.00 0.00 H new ATOM 0 HG12 VAL B 86 26.675 18.416 -34.876 1.00 0.00 H new ATOM 0 HG13 VAL B 86 26.726 16.755 -34.239 1.00 0.00 H new ATOM 0 HG21 VAL B 86 23.793 16.228 -34.932 1.00 0.00 H new ATOM 0 HG22 VAL B 86 24.523 15.698 -33.398 1.00 0.00 H new ATOM 0 HG23 VAL B 86 23.042 16.685 -33.384 1.00 0.00 H new ATOM 1566 N PHE B 87 27.192 19.774 -32.550 1.00 0.00 N ATOM 1567 CA PHE B 87 28.105 20.931 -32.532 1.00 0.00 C ATOM 1568 C PHE B 87 29.160 20.679 -33.655 1.00 0.00 C ATOM 1569 O PHE B 87 29.372 19.533 -33.987 1.00 0.00 O ATOM 1570 CB PHE B 87 28.766 20.957 -31.144 1.00 0.00 C ATOM 1571 CG PHE B 87 27.778 21.257 -30.025 1.00 0.00 C ATOM 1572 CD1 PHE B 87 27.468 22.605 -29.714 1.00 0.00 C ATOM 1573 CD2 PHE B 87 27.194 20.219 -29.228 1.00 0.00 C ATOM 1574 CE1 PHE B 87 26.660 22.888 -28.559 1.00 0.00 C ATOM 1575 CE2 PHE B 87 26.465 20.548 -28.082 1.00 0.00 C ATOM 1576 CZ PHE B 87 26.176 21.869 -27.781 1.00 0.00 C ATOM 0 H PHE B 87 27.709 18.895 -32.539 1.00 0.00 H new ATOM 0 HA PHE B 87 27.606 21.884 -32.708 1.00 0.00 H new ATOM 0 HB2 PHE B 87 29.241 19.994 -30.955 1.00 0.00 H new ATOM 0 HB3 PHE B 87 29.555 21.709 -31.137 1.00 0.00 H new ATOM 0 HD1 PHE B 87 27.834 23.408 -30.336 1.00 0.00 H new ATOM 0 HD2 PHE B 87 27.317 19.184 -29.512 1.00 0.00 H new ATOM 0 HE1 PHE B 87 26.433 23.912 -28.302 1.00 0.00 H new ATOM 0 HE2 PHE B 87 26.123 19.763 -27.423 1.00 0.00 H new ATOM 0 HZ PHE B 87 25.562 22.099 -26.923 1.00 0.00 H new ATOM 1586 N GLN B 88 29.787 21.719 -34.175 1.00 0.00 N ATOM 1587 CA GLN B 88 31.022 21.621 -35.025 1.00 0.00 C ATOM 1588 C GLN B 88 32.227 21.905 -34.070 1.00 0.00 C ATOM 1589 O GLN B 88 32.133 22.639 -32.978 1.00 0.00 O ATOM 1590 CB GLN B 88 30.940 22.601 -36.224 1.00 0.00 C ATOM 1591 CG GLN B 88 29.904 22.004 -37.218 1.00 0.00 C ATOM 1592 CD GLN B 88 30.436 21.511 -38.551 1.00 0.00 C ATOM 1593 OE1 GLN B 88 31.691 21.514 -38.877 1.00 0.00 O ATOM 1594 NE2 GLN B 88 29.581 21.154 -39.434 1.00 0.00 N ATOM 0 H GLN B 88 29.472 22.679 -34.034 1.00 0.00 H new ATOM 0 HA GLN B 88 31.139 20.636 -35.477 1.00 0.00 H new ATOM 0 HB2 GLN B 88 30.632 23.593 -35.893 1.00 0.00 H new ATOM 0 HB3 GLN B 88 31.914 22.712 -36.700 1.00 0.00 H new ATOM 0 HG2 GLN B 88 29.401 21.172 -36.725 1.00 0.00 H new ATOM 0 HG3 GLN B 88 29.147 22.763 -37.415 1.00 0.00 H new ATOM 0 HE21 GLN B 88 28.587 21.142 -39.206 1.00 0.00 H new ATOM 0 HE22 GLN B 88 29.894 20.882 -40.366 1.00 0.00 H new ATOM 1603 N GLN B 89 33.336 21.239 -34.367 1.00 0.00 N ATOM 1604 CA GLN B 89 34.603 21.572 -33.652 1.00 0.00 C ATOM 1605 C GLN B 89 35.306 22.850 -34.033 1.00 0.00 C ATOM 1606 O GLN B 89 35.172 23.303 -35.161 1.00 0.00 O ATOM 1607 CB GLN B 89 35.617 20.357 -33.758 1.00 0.00 C ATOM 1608 CG GLN B 89 36.840 20.326 -32.867 1.00 0.00 C ATOM 1609 CD GLN B 89 36.631 20.320 -31.339 1.00 0.00 C ATOM 1610 OE1 GLN B 89 35.535 20.066 -30.815 1.00 0.00 O ATOM 1611 NE2 GLN B 89 37.734 20.351 -30.672 1.00 0.00 N ATOM 0 H GLN B 89 33.406 20.496 -35.062 1.00 0.00 H new ATOM 0 HA GLN B 89 34.274 21.753 -32.629 1.00 0.00 H new ATOM 0 HB2 GLN B 89 35.053 19.444 -33.570 1.00 0.00 H new ATOM 0 HB3 GLN B 89 35.964 20.310 -34.790 1.00 0.00 H new ATOM 0 HG2 GLN B 89 37.418 19.439 -33.127 1.00 0.00 H new ATOM 0 HG3 GLN B 89 37.454 21.192 -33.115 1.00 0.00 H new ATOM 0 HE21 GLN B 89 38.611 20.565 -31.147 1.00 0.00 H new ATOM 0 HE22 GLN B 89 37.729 20.162 -29.670 1.00 0.00 H new