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 28 SER OG : rot -89:sc= 1.56 USER MOD Set 1.2: B 47 TYR OH : rot -35:sc= 0.327 USER MOD Set 1.3: B 51 GLN : amide:sc= 0.133 X(o=2,f=1.8) USER MOD Single : B 17 HIS : no HD1:sc= -0.702 K(o=-0.7,f=-1.2) USER MOD Single : B 19 ASN :FLIP amide:sc= -0.0914 F(o=-0.96!,f=-0.091) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc=-0.00417 (180deg=-0.00417) USER MOD Single : B 25 GLN : amide:sc= 0.437 X(o=0.44,f=-0.054) USER MOD Single : B 31 GLN : amide:sc=-0.00215 K(o=-0.0021,f=-0.59) 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= 0.183 K(o=0.18,f=-1.5) USER MOD Single : B 38 THR OG1 : rot -110:sc= 0.11 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0832) USER MOD Single : B 44 MET CE :methyl 176:sc= -0.433 (180deg=-0.446) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 CYS SG : rot -78:sc= 0.0166 USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 55 MET CE :methyl 139:sc= -0.0695 (180deg=-0.163) USER MOD Single : B 57 GLN : amide:sc= -0.0124 K(o=-0.012,f=-0.68) USER MOD Single : B 65 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : B 68 ASN : amide:sc= 0.715 K(o=0.72,f=0) USER MOD Single : B 70 THR OG1 : rot 180:sc= 0 USER MOD Single : B 72 THR OG1 : rot 180:sc= 0.0422 USER MOD Single : B 75 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 78 MET CE :methyl -154:sc= -0.796 (180deg=-1.31) USER MOD Single : B 83 THR OG1 : rot 69:sc= 0.0484 USER MOD Single : B 88 GLN : amide:sc=-0.00909 X(o=-0.0091,f=0) USER MOD Single : B 89 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 38 13.018 14.342 -44.698 1.00 0.00 N ATOM 23 CA ASP A 38 13.556 12.971 -44.622 1.00 0.00 C ATOM 24 C ASP A 38 13.711 12.547 -43.194 1.00 0.00 C ATOM 25 O ASP A 38 14.754 12.017 -42.837 1.00 0.00 O ATOM 26 CB ASP A 38 14.836 12.832 -45.463 1.00 0.00 C ATOM 27 CG ASP A 38 15.315 11.338 -45.673 1.00 0.00 C ATOM 28 OD1 ASP A 38 14.568 10.337 -45.341 1.00 0.00 O ATOM 29 OD2 ASP A 38 16.504 11.074 -45.934 1.00 0.00 O ATOM 0 HA ASP A 38 12.843 12.276 -45.066 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.668 13.288 -46.438 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.636 13.394 -44.982 1.00 0.00 H new ATOM 34 N ALA A 39 12.721 12.811 -42.358 1.00 0.00 N ATOM 35 CA ALA A 39 12.716 12.597 -40.871 1.00 0.00 C ATOM 36 C ALA A 39 12.648 11.155 -40.351 1.00 0.00 C ATOM 37 O ALA A 39 11.787 10.809 -39.526 1.00 0.00 O ATOM 38 CB ALA A 39 11.480 13.387 -40.371 1.00 0.00 C ATOM 0 H ALA A 39 11.839 13.202 -42.689 1.00 0.00 H new ATOM 0 HA ALA A 39 13.683 12.929 -40.492 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.397 13.286 -39.289 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.592 14.440 -40.630 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.580 12.991 -40.842 1.00 0.00 H new ATOM 44 N PHE A 40 13.579 10.301 -40.811 1.00 0.00 N ATOM 45 CA PHE A 40 13.552 8.893 -40.339 1.00 0.00 C ATOM 46 C PHE A 40 14.941 8.109 -40.622 1.00 0.00 C ATOM 47 O PHE A 40 15.431 8.136 -41.728 1.00 0.00 O ATOM 48 CB PHE A 40 12.349 8.080 -40.898 1.00 0.00 C ATOM 49 CG PHE A 40 11.671 7.125 -39.995 1.00 0.00 C ATOM 50 CD1 PHE A 40 10.743 7.606 -39.005 1.00 0.00 C ATOM 51 CD2 PHE A 40 11.717 5.706 -40.114 1.00 0.00 C ATOM 52 CE1 PHE A 40 10.120 6.776 -38.102 1.00 0.00 C ATOM 53 CE2 PHE A 40 11.224 4.874 -39.132 1.00 0.00 C ATOM 54 CZ PHE A 40 10.399 5.394 -38.115 1.00 0.00 C ATOM 0 H PHE A 40 14.321 10.534 -41.470 1.00 0.00 H new ATOM 0 HA PHE A 40 13.422 8.967 -39.259 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.602 8.791 -41.252 1.00 0.00 H new ATOM 0 HB3 PHE A 40 12.698 7.525 -41.768 1.00 0.00 H new ATOM 0 HD1 PHE A 40 10.527 8.664 -38.970 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.151 5.269 -41.001 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.420 7.181 -37.386 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.470 3.823 -39.142 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.987 4.744 -37.357 1.00 0.00 H new ATOM 64 N ILE A 41 15.424 7.361 -39.649 1.00 0.00 N ATOM 65 CA ILE A 41 16.595 6.458 -39.685 1.00 0.00 C ATOM 66 C ILE A 41 16.225 5.270 -38.760 1.00 0.00 C ATOM 67 O ILE A 41 15.559 5.437 -37.722 1.00 0.00 O ATOM 68 CB ILE A 41 17.915 7.155 -39.296 1.00 0.00 C ATOM 69 CG1 ILE A 41 18.330 8.363 -40.198 1.00 0.00 C ATOM 70 CG2 ILE A 41 19.037 6.048 -39.449 1.00 0.00 C ATOM 71 CD1 ILE A 41 17.812 9.722 -39.635 1.00 0.00 C ATOM 0 H ILE A 41 14.982 7.357 -38.730 1.00 0.00 H new ATOM 0 HA ILE A 41 16.798 6.114 -40.699 1.00 0.00 H new ATOM 0 HB ILE A 41 17.787 7.565 -38.294 1.00 0.00 H new ATOM 0 HG12 ILE A 41 19.416 8.396 -40.281 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.938 8.215 -41.204 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.006 6.474 -39.188 1.00 0.00 H new ATOM 0 HG22 ILE A 41 18.817 5.212 -38.785 1.00 0.00 H new ATOM 0 HG23 ILE A 41 19.062 5.695 -40.480 1.00 0.00 H new ATOM 0 HD11 ILE A 41 18.124 10.532 -40.294 1.00 0.00 H new ATOM 0 HD12 ILE A 41 16.724 9.701 -39.577 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.225 9.885 -38.640 1.00 0.00 H new ATOM 83 N VAL A 42 16.709 4.041 -39.013 1.00 0.00 N ATOM 84 CA VAL A 42 16.202 2.771 -38.392 1.00 0.00 C ATOM 85 C VAL A 42 17.348 1.795 -38.335 1.00 0.00 C ATOM 86 O VAL A 42 17.883 1.401 -39.400 1.00 0.00 O ATOM 87 CB VAL A 42 15.005 2.205 -39.177 1.00 0.00 C ATOM 88 CG1 VAL A 42 14.412 1.093 -38.254 1.00 0.00 C ATOM 89 CG2 VAL A 42 13.992 3.284 -39.428 1.00 0.00 C ATOM 0 H VAL A 42 17.478 3.883 -39.665 1.00 0.00 H new ATOM 0 HA VAL A 42 15.837 2.965 -37.383 1.00 0.00 H new ATOM 0 HB VAL A 42 15.294 1.814 -40.152 1.00 0.00 H new ATOM 0 HG11 VAL A 42 13.551 0.637 -38.742 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.170 0.332 -38.069 1.00 0.00 H new ATOM 0 HG13 VAL A 42 14.101 1.534 -37.307 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.150 2.871 -39.984 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.639 3.680 -38.476 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.450 4.086 -40.007 1.00 0.00 H new ATOM 99 N ILE A 43 17.905 1.537 -37.150 1.00 0.00 N ATOM 100 CA ILE A 43 19.160 0.800 -36.820 1.00 0.00 C ATOM 101 C ILE A 43 18.866 -0.222 -35.706 1.00 0.00 C ATOM 102 O ILE A 43 18.254 0.045 -34.695 1.00 0.00 O ATOM 103 CB ILE A 43 20.331 1.679 -36.333 1.00 0.00 C ATOM 104 CG1 ILE A 43 20.731 2.847 -37.287 1.00 0.00 C ATOM 105 CG2 ILE A 43 21.563 0.831 -36.071 1.00 0.00 C ATOM 106 CD1 ILE A 43 21.276 4.035 -36.523 1.00 0.00 C ATOM 0 H ILE A 43 17.452 1.867 -36.298 1.00 0.00 H new ATOM 0 HA ILE A 43 19.473 0.341 -37.758 1.00 0.00 H new ATOM 0 HB ILE A 43 19.957 2.139 -35.418 1.00 0.00 H new ATOM 0 HG12 ILE A 43 21.480 2.496 -37.997 1.00 0.00 H new ATOM 0 HG13 ILE A 43 19.862 3.156 -37.868 1.00 0.00 H new ATOM 0 HG21 ILE A 43 22.378 1.469 -35.728 1.00 0.00 H new ATOM 0 HG22 ILE A 43 21.337 0.088 -35.306 1.00 0.00 H new ATOM 0 HG23 ILE A 43 21.859 0.326 -36.990 1.00 0.00 H new ATOM 0 HD11 ILE A 43 21.543 4.827 -37.223 1.00 0.00 H new ATOM 0 HD12 ILE A 43 20.517 4.402 -35.832 1.00 0.00 H new ATOM 0 HD13 ILE A 43 22.161 3.733 -35.963 1.00 0.00 H new ATOM 439 N HIS B 17 11.246 -0.924 -29.254 1.00 0.00 N ATOM 440 CA HIS B 17 12.008 0.260 -29.661 1.00 0.00 C ATOM 441 C HIS B 17 11.885 1.578 -28.892 1.00 0.00 C ATOM 442 O HIS B 17 10.979 1.882 -28.101 1.00 0.00 O ATOM 443 CB HIS B 17 11.796 0.527 -31.130 1.00 0.00 C ATOM 444 CG HIS B 17 12.126 -0.590 -32.014 1.00 0.00 C ATOM 445 ND1 HIS B 17 11.270 -1.659 -32.173 1.00 0.00 N ATOM 446 CD2 HIS B 17 13.295 -0.876 -32.661 1.00 0.00 C ATOM 447 CE1 HIS B 17 11.939 -2.610 -32.883 1.00 0.00 C ATOM 448 NE2 HIS B 17 13.110 -2.060 -33.298 1.00 0.00 N ATOM 0 HA HIS B 17 13.018 -0.054 -29.396 1.00 0.00 H new ATOM 0 HB2 HIS B 17 10.753 0.800 -31.288 1.00 0.00 H new ATOM 0 HB3 HIS B 17 12.398 1.389 -31.418 1.00 0.00 H new ATOM 0 HD2 HIS B 17 14.193 -0.276 -32.665 1.00 0.00 H new ATOM 0 HE1 HIS B 17 11.601 -3.617 -33.080 1.00 0.00 H new ATOM 0 HE2 HIS B 17 13.748 -2.471 -33.979 1.00 0.00 H new ATOM 456 N ILE B 18 12.859 2.421 -29.096 1.00 0.00 N ATOM 457 CA ILE B 18 12.958 3.784 -28.632 1.00 0.00 C ATOM 458 C ILE B 18 13.115 4.794 -29.779 1.00 0.00 C ATOM 459 O ILE B 18 13.593 4.472 -30.897 1.00 0.00 O ATOM 460 CB ILE B 18 13.957 3.856 -27.469 1.00 0.00 C ATOM 461 CG1 ILE B 18 14.090 5.233 -26.876 1.00 0.00 C ATOM 462 CG2 ILE B 18 15.373 3.459 -28.052 1.00 0.00 C ATOM 463 CD1 ILE B 18 14.747 5.249 -25.508 1.00 0.00 C ATOM 0 H ILE B 18 13.679 2.151 -29.640 1.00 0.00 H new ATOM 0 HA ILE B 18 12.012 4.116 -28.203 1.00 0.00 H new ATOM 0 HB ILE B 18 13.599 3.193 -26.682 1.00 0.00 H new ATOM 0 HG12 ILE B 18 14.671 5.857 -27.555 1.00 0.00 H new ATOM 0 HG13 ILE B 18 13.100 5.683 -26.799 1.00 0.00 H new ATOM 0 HG21 ILE B 18 16.117 3.497 -27.257 1.00 0.00 H new ATOM 0 HG22 ILE B 18 15.328 2.449 -28.460 1.00 0.00 H new ATOM 0 HG23 ILE B 18 15.650 4.157 -28.842 1.00 0.00 H new ATOM 0 HD11 ILE B 18 14.808 6.275 -25.146 1.00 0.00 H new ATOM 0 HD12 ILE B 18 14.155 4.653 -24.813 1.00 0.00 H new ATOM 0 HD13 ILE B 18 15.751 4.830 -25.581 1.00 0.00 H new ATOM 475 N ASN B 19 12.553 5.971 -29.641 1.00 0.00 N ATOM 476 CA ASN B 19 12.271 6.857 -30.736 1.00 0.00 C ATOM 477 C ASN B 19 12.971 8.238 -30.470 1.00 0.00 C ATOM 478 O ASN B 19 12.323 9.231 -30.111 1.00 0.00 O ATOM 479 CB ASN B 19 10.807 6.864 -31.027 1.00 0.00 C ATOM 480 CG ASN B 19 10.270 5.426 -31.240 1.00 0.00 C ATOM 481 OD1 ASN B 19 9.751 4.766 -30.227 1.00 0.00 O flip ATOM 482 ND2 ASN B 19 10.297 4.896 -32.331 1.00 0.00 N flip ATOM 0 H ASN B 19 12.272 6.346 -28.735 1.00 0.00 H new ATOM 0 HA ASN B 19 12.704 6.516 -31.677 1.00 0.00 H new ATOM 0 HB2 ASN B 19 10.272 7.336 -30.203 1.00 0.00 H new ATOM 0 HB3 ASN B 19 10.614 7.463 -31.917 1.00 0.00 H new ATOM 0 HD21 ASN B 19 10.695 5.391 -33.129 1.00 0.00 H new ATOM 0 HD22 ASN B 19 9.921 3.955 -32.450 1.00 0.00 H new ATOM 489 N LEU B 20 14.319 8.221 -30.675 1.00 0.00 N ATOM 490 CA LEU B 20 15.186 9.397 -30.323 1.00 0.00 C ATOM 491 C LEU B 20 15.271 10.406 -31.464 1.00 0.00 C ATOM 492 O LEU B 20 14.742 10.193 -32.562 1.00 0.00 O ATOM 493 CB LEU B 20 16.582 8.939 -29.880 1.00 0.00 C ATOM 494 CG LEU B 20 16.654 7.918 -28.689 1.00 0.00 C ATOM 495 CD1 LEU B 20 18.145 7.891 -28.214 1.00 0.00 C ATOM 496 CD2 LEU B 20 15.832 8.330 -27.486 1.00 0.00 C ATOM 0 H LEU B 20 14.824 7.429 -31.072 1.00 0.00 H new ATOM 0 HA LEU B 20 14.715 9.906 -29.482 1.00 0.00 H new ATOM 0 HB2 LEU B 20 17.080 8.492 -30.740 1.00 0.00 H new ATOM 0 HB3 LEU B 20 17.156 9.823 -29.603 1.00 0.00 H new ATOM 0 HG LEU B 20 16.270 6.963 -29.047 1.00 0.00 H new ATOM 0 HD11 LEU B 20 18.250 7.193 -27.383 1.00 0.00 H new ATOM 0 HD12 LEU B 20 18.784 7.573 -29.038 1.00 0.00 H new ATOM 0 HD13 LEU B 20 18.442 8.888 -27.889 1.00 0.00 H new ATOM 0 HD21 LEU B 20 15.930 7.578 -26.703 1.00 0.00 H new ATOM 0 HD22 LEU B 20 16.189 9.290 -27.113 1.00 0.00 H new ATOM 0 HD23 LEU B 20 14.785 8.419 -27.774 1.00 0.00 H new ATOM 508 N LYS B 21 16.012 11.467 -31.279 1.00 0.00 N ATOM 509 CA LYS B 21 16.239 12.531 -32.287 1.00 0.00 C ATOM 510 C LYS B 21 17.708 12.909 -32.213 1.00 0.00 C ATOM 511 O LYS B 21 18.278 12.883 -31.119 1.00 0.00 O ATOM 512 CB LYS B 21 15.221 13.646 -32.066 1.00 0.00 C ATOM 513 CG LYS B 21 13.862 13.367 -32.891 1.00 0.00 C ATOM 514 CD LYS B 21 12.890 14.548 -32.662 1.00 0.00 C ATOM 515 CE LYS B 21 11.445 14.066 -32.885 1.00 0.00 C ATOM 516 NZ LYS B 21 10.426 14.951 -32.308 1.00 0.00 N ATOM 0 H LYS B 21 16.501 11.643 -30.401 1.00 0.00 H new ATOM 0 HA LYS B 21 16.065 12.222 -33.318 1.00 0.00 H new ATOM 0 HB2 LYS B 21 14.994 13.729 -31.003 1.00 0.00 H new ATOM 0 HB3 LYS B 21 15.649 14.599 -32.376 1.00 0.00 H new ATOM 0 HG2 LYS B 21 14.081 13.258 -33.953 1.00 0.00 H new ATOM 0 HG3 LYS B 21 13.406 12.433 -32.562 1.00 0.00 H new ATOM 0 HD2 LYS B 21 13.004 14.937 -31.650 1.00 0.00 H new ATOM 0 HD3 LYS B 21 13.123 15.364 -33.346 1.00 0.00 H new ATOM 0 HE2 LYS B 21 11.265 13.971 -33.956 1.00 0.00 H new ATOM 0 HE3 LYS B 21 11.334 13.071 -32.454 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 9.480 14.562 -32.498 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 10.571 15.023 -31.281 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 10.504 15.896 -32.736 1.00 0.00 H new ATOM 530 N VAL B 22 18.207 13.487 -33.268 1.00 0.00 N ATOM 531 CA VAL B 22 19.577 14.057 -33.397 1.00 0.00 C ATOM 532 C VAL B 22 19.458 15.402 -34.118 1.00 0.00 C ATOM 533 O VAL B 22 19.073 15.519 -35.261 1.00 0.00 O ATOM 534 CB VAL B 22 20.550 13.021 -34.036 1.00 0.00 C ATOM 535 CG1 VAL B 22 21.967 13.594 -34.056 1.00 0.00 C ATOM 536 CG2 VAL B 22 20.405 11.606 -33.470 1.00 0.00 C ATOM 0 H VAL B 22 17.663 13.594 -34.124 1.00 0.00 H new ATOM 0 HA VAL B 22 20.032 14.263 -32.428 1.00 0.00 H new ATOM 0 HB VAL B 22 20.268 12.864 -35.077 1.00 0.00 H new ATOM 0 HG11 VAL B 22 22.647 12.868 -34.503 1.00 0.00 H new ATOM 0 HG12 VAL B 22 21.980 14.513 -34.643 1.00 0.00 H new ATOM 0 HG13 VAL B 22 22.287 13.810 -33.037 1.00 0.00 H new ATOM 0 HG21 VAL B 22 21.115 10.942 -33.964 1.00 0.00 H new ATOM 0 HG22 VAL B 22 20.606 11.620 -32.399 1.00 0.00 H new ATOM 0 HG23 VAL B 22 19.391 11.247 -33.644 1.00 0.00 H new ATOM 546 N ALA B 23 20.062 16.429 -33.467 1.00 0.00 N ATOM 547 CA ALA B 23 19.876 17.841 -33.872 1.00 0.00 C ATOM 548 C ALA B 23 21.070 18.872 -33.728 1.00 0.00 C ATOM 549 O ALA B 23 21.833 18.708 -32.759 1.00 0.00 O ATOM 550 CB ALA B 23 18.756 18.384 -33.019 1.00 0.00 C ATOM 0 H ALA B 23 20.678 16.304 -32.664 1.00 0.00 H new ATOM 0 HA ALA B 23 19.717 17.775 -34.948 1.00 0.00 H new ATOM 0 HB1 ALA B 23 18.575 19.428 -33.277 1.00 0.00 H new ATOM 0 HB2 ALA B 23 17.850 17.804 -33.196 1.00 0.00 H new ATOM 0 HB3 ALA B 23 19.032 18.313 -31.967 1.00 0.00 H new ATOM 556 N GLY B 24 21.184 19.842 -34.647 1.00 0.00 N ATOM 557 CA GLY B 24 22.253 20.814 -34.685 1.00 0.00 C ATOM 558 C GLY B 24 22.050 22.282 -35.213 1.00 0.00 C ATOM 559 O GLY B 24 20.888 22.750 -35.478 1.00 0.00 O ATOM 0 H GLY B 24 20.508 19.964 -35.401 1.00 0.00 H new ATOM 0 HA2 GLY B 24 22.631 20.900 -33.666 1.00 0.00 H new ATOM 0 HA3 GLY B 24 23.050 20.376 -35.285 1.00 0.00 H new ATOM 563 N GLN B 25 23.146 23.061 -35.096 1.00 0.00 N ATOM 564 CA GLN B 25 23.107 24.489 -35.057 1.00 0.00 C ATOM 565 C GLN B 25 22.838 25.227 -36.410 1.00 0.00 C ATOM 566 O GLN B 25 22.435 26.399 -36.523 1.00 0.00 O ATOM 567 CB GLN B 25 24.247 25.148 -34.284 1.00 0.00 C ATOM 568 CG GLN B 25 24.610 24.414 -32.940 1.00 0.00 C ATOM 569 CD GLN B 25 23.423 24.277 -32.017 1.00 0.00 C ATOM 570 OE1 GLN B 25 22.574 25.126 -31.845 1.00 0.00 O ATOM 571 NE2 GLN B 25 23.369 23.230 -31.290 1.00 0.00 N ATOM 0 H GLN B 25 24.090 22.680 -35.026 1.00 0.00 H new ATOM 0 HA GLN B 25 22.197 24.634 -34.474 1.00 0.00 H new ATOM 0 HB2 GLN B 25 25.132 25.182 -34.919 1.00 0.00 H new ATOM 0 HB3 GLN B 25 23.974 26.180 -34.062 1.00 0.00 H new ATOM 0 HG2 GLN B 25 25.006 23.424 -33.166 1.00 0.00 H new ATOM 0 HG3 GLN B 25 25.400 24.965 -32.431 1.00 0.00 H new ATOM 0 HE21 GLN B 25 24.065 22.493 -31.404 1.00 0.00 H new ATOM 0 HE22 GLN B 25 22.630 23.130 -30.594 1.00 0.00 H new ATOM 580 N ASP B 26 22.948 24.499 -37.548 1.00 0.00 N ATOM 581 CA ASP B 26 22.496 24.957 -38.811 1.00 0.00 C ATOM 582 C ASP B 26 20.943 24.869 -38.943 1.00 0.00 C ATOM 583 O ASP B 26 20.466 25.337 -39.956 1.00 0.00 O ATOM 584 CB ASP B 26 23.174 24.087 -39.894 1.00 0.00 C ATOM 585 CG ASP B 26 23.002 22.595 -39.787 1.00 0.00 C ATOM 586 OD1 ASP B 26 22.303 22.141 -38.861 1.00 0.00 O ATOM 587 OD2 ASP B 26 23.628 21.868 -40.616 1.00 0.00 O ATOM 0 H ASP B 26 23.365 23.568 -37.576 1.00 0.00 H new ATOM 0 HA ASP B 26 22.761 26.008 -38.929 1.00 0.00 H new ATOM 0 HB2 ASP B 26 22.795 24.402 -40.866 1.00 0.00 H new ATOM 0 HB3 ASP B 26 24.242 24.305 -39.883 1.00 0.00 H new ATOM 592 N GLY B 27 20.234 24.230 -38.007 1.00 0.00 N ATOM 593 CA GLY B 27 18.821 24.096 -38.065 1.00 0.00 C ATOM 594 C GLY B 27 18.356 22.688 -38.466 1.00 0.00 C ATOM 595 O GLY B 27 17.165 22.389 -38.378 1.00 0.00 O ATOM 0 H GLY B 27 20.655 23.794 -37.187 1.00 0.00 H new ATOM 0 HA2 GLY B 27 18.400 24.346 -37.091 1.00 0.00 H new ATOM 0 HA3 GLY B 27 18.424 24.818 -38.779 1.00 0.00 H new ATOM 599 N SER B 28 19.339 21.811 -38.880 1.00 0.00 N ATOM 600 CA SER B 28 19.049 20.409 -39.205 1.00 0.00 C ATOM 601 C SER B 28 18.582 19.678 -37.912 1.00 0.00 C ATOM 602 O SER B 28 19.104 20.026 -36.792 1.00 0.00 O ATOM 603 CB SER B 28 20.318 19.726 -39.765 1.00 0.00 C ATOM 604 OG SER B 28 21.251 19.673 -38.704 1.00 0.00 O ATOM 0 H SER B 28 20.320 22.070 -38.988 1.00 0.00 H new ATOM 0 HA SER B 28 18.263 20.361 -39.959 1.00 0.00 H new ATOM 0 HB2 SER B 28 20.090 18.725 -40.130 1.00 0.00 H new ATOM 0 HB3 SER B 28 20.721 20.288 -40.607 1.00 0.00 H new ATOM 0 HG SER B 28 21.790 20.492 -38.701 1.00 0.00 H new ATOM 610 N VAL B 29 17.720 18.643 -38.068 1.00 0.00 N ATOM 611 CA VAL B 29 17.181 17.641 -37.102 1.00 0.00 C ATOM 612 C VAL B 29 16.663 16.337 -37.794 1.00 0.00 C ATOM 613 O VAL B 29 16.130 16.405 -38.860 1.00 0.00 O ATOM 614 CB VAL B 29 15.893 18.183 -36.332 1.00 0.00 C ATOM 615 CG1 VAL B 29 15.530 17.239 -35.162 1.00 0.00 C ATOM 616 CG2 VAL B 29 16.140 19.684 -35.913 1.00 0.00 C ATOM 0 H VAL B 29 17.333 18.465 -38.995 1.00 0.00 H new ATOM 0 HA VAL B 29 18.027 17.448 -36.442 1.00 0.00 H new ATOM 0 HB VAL B 29 15.017 18.182 -36.980 1.00 0.00 H new ATOM 0 HG11 VAL B 29 14.649 17.621 -34.646 1.00 0.00 H new ATOM 0 HG12 VAL B 29 15.319 16.243 -35.550 1.00 0.00 H new ATOM 0 HG13 VAL B 29 16.366 17.187 -34.464 1.00 0.00 H new ATOM 0 HG21 VAL B 29 15.265 20.063 -35.386 1.00 0.00 H new ATOM 0 HG22 VAL B 29 17.010 19.741 -35.259 1.00 0.00 H new ATOM 0 HG23 VAL B 29 16.316 20.286 -36.804 1.00 0.00 H new ATOM 626 N VAL B 30 16.804 15.127 -37.162 1.00 0.00 N ATOM 627 CA VAL B 30 16.278 13.794 -37.659 1.00 0.00 C ATOM 628 C VAL B 30 15.882 12.870 -36.554 1.00 0.00 C ATOM 629 O VAL B 30 16.447 12.903 -35.490 1.00 0.00 O ATOM 630 CB VAL B 30 17.236 13.027 -38.616 1.00 0.00 C ATOM 631 CG1 VAL B 30 17.433 13.726 -39.963 1.00 0.00 C ATOM 632 CG2 VAL B 30 18.561 12.811 -37.906 1.00 0.00 C ATOM 0 H VAL B 30 17.296 15.042 -36.273 1.00 0.00 H new ATOM 0 HA VAL B 30 15.397 14.088 -38.230 1.00 0.00 H new ATOM 0 HB VAL B 30 16.778 12.068 -38.856 1.00 0.00 H new ATOM 0 HG11 VAL B 30 18.112 13.139 -40.582 1.00 0.00 H new ATOM 0 HG12 VAL B 30 16.472 13.821 -40.468 1.00 0.00 H new ATOM 0 HG13 VAL B 30 17.856 14.717 -39.800 1.00 0.00 H new ATOM 0 HG21 VAL B 30 19.244 12.274 -38.565 1.00 0.00 H new ATOM 0 HG22 VAL B 30 18.994 13.776 -37.643 1.00 0.00 H new ATOM 0 HG23 VAL B 30 18.397 12.228 -37.000 1.00 0.00 H new ATOM 642 N GLN B 31 14.927 11.932 -36.812 1.00 0.00 N ATOM 643 CA GLN B 31 14.536 10.904 -35.899 1.00 0.00 C ATOM 644 C GLN B 31 15.219 9.556 -36.158 1.00 0.00 C ATOM 645 O GLN B 31 15.229 9.056 -37.316 1.00 0.00 O ATOM 646 CB GLN B 31 13.015 10.863 -35.944 1.00 0.00 C ATOM 647 CG GLN B 31 12.285 10.057 -34.901 1.00 0.00 C ATOM 648 CD GLN B 31 10.731 10.361 -34.959 1.00 0.00 C ATOM 649 OE1 GLN B 31 10.298 11.504 -34.987 1.00 0.00 O ATOM 650 NE2 GLN B 31 9.876 9.373 -35.155 1.00 0.00 N ATOM 0 H GLN B 31 14.415 11.899 -37.694 1.00 0.00 H new ATOM 0 HA GLN B 31 14.874 11.130 -34.888 1.00 0.00 H new ATOM 0 HB2 GLN B 31 12.654 11.890 -35.882 1.00 0.00 H new ATOM 0 HB3 GLN B 31 12.723 10.481 -36.922 1.00 0.00 H new ATOM 0 HG2 GLN B 31 12.461 8.994 -35.065 1.00 0.00 H new ATOM 0 HG3 GLN B 31 12.672 10.295 -33.910 1.00 0.00 H new ATOM 0 HE21 GLN B 31 10.201 8.406 -35.139 1.00 0.00 H new ATOM 0 HE22 GLN B 31 8.891 9.577 -35.323 1.00 0.00 H new ATOM 659 N PHE B 32 15.769 8.876 -35.130 1.00 0.00 N ATOM 660 CA PHE B 32 16.206 7.460 -35.133 1.00 0.00 C ATOM 661 C PHE B 32 15.238 6.531 -34.362 1.00 0.00 C ATOM 662 O PHE B 32 14.843 6.811 -33.223 1.00 0.00 O ATOM 663 CB PHE B 32 17.661 7.270 -34.669 1.00 0.00 C ATOM 664 CG PHE B 32 18.722 7.965 -35.508 1.00 0.00 C ATOM 665 CD1 PHE B 32 18.771 9.357 -35.514 1.00 0.00 C ATOM 666 CD2 PHE B 32 19.610 7.224 -36.301 1.00 0.00 C ATOM 667 CE1 PHE B 32 19.847 9.988 -36.170 1.00 0.00 C ATOM 668 CE2 PHE B 32 20.601 7.892 -37.082 1.00 0.00 C ATOM 669 CZ PHE B 32 20.733 9.235 -36.951 1.00 0.00 C ATOM 0 H PHE B 32 15.930 9.322 -34.227 1.00 0.00 H new ATOM 0 HA PHE B 32 16.173 7.158 -36.180 1.00 0.00 H new ATOM 0 HB2 PHE B 32 17.744 7.628 -33.643 1.00 0.00 H new ATOM 0 HB3 PHE B 32 17.880 6.202 -34.653 1.00 0.00 H new ATOM 0 HD1 PHE B 32 18.002 9.939 -35.027 1.00 0.00 H new ATOM 0 HD2 PHE B 32 19.544 6.146 -36.321 1.00 0.00 H new ATOM 0 HE1 PHE B 32 19.989 11.054 -36.070 1.00 0.00 H new ATOM 0 HE2 PHE B 32 21.232 7.339 -37.762 1.00 0.00 H new ATOM 0 HZ PHE B 32 21.542 9.737 -37.462 1.00 0.00 H new ATOM 679 N LYS B 33 15.039 5.255 -34.851 1.00 0.00 N ATOM 680 CA LYS B 33 14.407 4.083 -34.188 1.00 0.00 C ATOM 681 C LYS B 33 15.428 2.908 -33.944 1.00 0.00 C ATOM 682 O LYS B 33 16.037 2.377 -34.814 1.00 0.00 O ATOM 683 CB LYS B 33 13.127 3.664 -34.961 1.00 0.00 C ATOM 684 CG LYS B 33 12.389 2.551 -34.216 1.00 0.00 C ATOM 685 CD LYS B 33 11.351 2.014 -35.191 1.00 0.00 C ATOM 686 CE LYS B 33 10.447 0.989 -34.579 1.00 0.00 C ATOM 687 NZ LYS B 33 9.360 0.534 -35.447 1.00 0.00 N ATOM 0 H LYS B 33 15.346 5.016 -35.794 1.00 0.00 H new ATOM 0 HA LYS B 33 14.091 4.372 -33.186 1.00 0.00 H new ATOM 0 HB2 LYS B 33 12.470 4.526 -35.082 1.00 0.00 H new ATOM 0 HB3 LYS B 33 13.395 3.324 -35.961 1.00 0.00 H new ATOM 0 HG2 LYS B 33 13.078 1.765 -33.906 1.00 0.00 H new ATOM 0 HG3 LYS B 33 11.915 2.934 -33.312 1.00 0.00 H new ATOM 0 HD2 LYS B 33 10.750 2.843 -35.566 1.00 0.00 H new ATOM 0 HD3 LYS B 33 11.860 1.575 -36.049 1.00 0.00 H new ATOM 0 HE2 LYS B 33 11.045 0.126 -34.286 1.00 0.00 H new ATOM 0 HE3 LYS B 33 10.016 1.403 -33.667 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 8.786 -0.172 -34.944 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 8.762 1.344 -35.708 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 9.758 0.107 -36.307 1.00 0.00 H new ATOM 701 N ILE B 34 15.629 2.601 -32.660 1.00 0.00 N ATOM 702 CA ILE B 34 16.665 1.770 -32.108 1.00 0.00 C ATOM 703 C ILE B 34 16.080 0.874 -30.944 1.00 0.00 C ATOM 704 O ILE B 34 14.932 1.078 -30.539 1.00 0.00 O ATOM 705 CB ILE B 34 17.970 2.571 -31.845 1.00 0.00 C ATOM 706 CG1 ILE B 34 17.687 3.756 -30.942 1.00 0.00 C ATOM 707 CG2 ILE B 34 18.603 3.118 -33.160 1.00 0.00 C ATOM 708 CD1 ILE B 34 18.937 4.588 -30.580 1.00 0.00 C ATOM 0 H ILE B 34 15.013 2.964 -31.933 1.00 0.00 H new ATOM 0 HA ILE B 34 17.014 1.036 -32.835 1.00 0.00 H new ATOM 0 HB ILE B 34 18.668 1.877 -31.376 1.00 0.00 H new ATOM 0 HG12 ILE B 34 16.961 4.406 -31.431 1.00 0.00 H new ATOM 0 HG13 ILE B 34 17.225 3.396 -30.023 1.00 0.00 H new ATOM 0 HG21 ILE B 34 19.512 3.670 -32.924 1.00 0.00 H new ATOM 0 HG22 ILE B 34 18.845 2.286 -33.821 1.00 0.00 H new ATOM 0 HG23 ILE B 34 17.894 3.781 -33.657 1.00 0.00 H new ATOM 0 HD11 ILE B 34 18.648 5.416 -29.932 1.00 0.00 H new ATOM 0 HD12 ILE B 34 19.657 3.955 -30.061 1.00 0.00 H new ATOM 0 HD13 ILE B 34 19.389 4.981 -31.491 1.00 0.00 H new ATOM 720 N LYS B 35 16.890 0.050 -30.341 1.00 0.00 N ATOM 721 CA LYS B 35 16.627 -0.784 -29.203 1.00 0.00 C ATOM 722 C LYS B 35 17.383 -0.125 -27.992 1.00 0.00 C ATOM 723 O LYS B 35 18.340 0.598 -28.210 1.00 0.00 O ATOM 724 CB LYS B 35 16.918 -2.253 -29.488 1.00 0.00 C ATOM 725 CG LYS B 35 16.093 -2.846 -30.646 1.00 0.00 C ATOM 726 CD LYS B 35 16.365 -4.337 -30.852 1.00 0.00 C ATOM 727 CE LYS B 35 15.683 -5.046 -32.011 1.00 0.00 C ATOM 728 NZ LYS B 35 16.097 -6.519 -32.158 1.00 0.00 N ATOM 0 H LYS B 35 17.849 -0.065 -30.669 1.00 0.00 H new ATOM 0 HA LYS B 35 15.569 -0.829 -28.944 1.00 0.00 H new ATOM 0 HB2 LYS B 35 17.978 -2.364 -29.717 1.00 0.00 H new ATOM 0 HB3 LYS B 35 16.725 -2.832 -28.585 1.00 0.00 H new ATOM 0 HG2 LYS B 35 15.032 -2.697 -30.446 1.00 0.00 H new ATOM 0 HG3 LYS B 35 16.323 -2.307 -31.565 1.00 0.00 H new ATOM 0 HD2 LYS B 35 17.441 -4.464 -30.973 1.00 0.00 H new ATOM 0 HD3 LYS B 35 16.084 -4.855 -29.935 1.00 0.00 H new ATOM 0 HE2 LYS B 35 14.603 -4.992 -31.874 1.00 0.00 H new ATOM 0 HE3 LYS B 35 15.914 -4.518 -32.936 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 15.596 -6.941 -32.966 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 17.123 -6.577 -32.318 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 15.853 -7.037 -31.290 1.00 0.00 H new ATOM 742 N ARG B 36 16.980 -0.389 -26.738 1.00 0.00 N ATOM 743 CA ARG B 36 17.661 0.081 -25.502 1.00 0.00 C ATOM 744 C ARG B 36 19.184 -0.148 -25.613 1.00 0.00 C ATOM 745 O ARG B 36 19.857 0.664 -25.018 1.00 0.00 O ATOM 746 CB ARG B 36 17.048 -0.634 -24.241 1.00 0.00 C ATOM 747 CG ARG B 36 16.180 0.305 -23.466 1.00 0.00 C ATOM 748 CD ARG B 36 15.441 -0.399 -22.280 1.00 0.00 C ATOM 749 NE ARG B 36 16.301 -0.644 -21.111 1.00 0.00 N ATOM 750 CZ ARG B 36 16.514 0.160 -20.123 1.00 0.00 C ATOM 751 NH1 ARG B 36 16.311 1.476 -20.154 1.00 0.00 N ATOM 752 NH2 ARG B 36 16.984 -0.330 -19.015 1.00 0.00 N ATOM 0 H ARG B 36 16.151 -0.949 -26.542 1.00 0.00 H new ATOM 0 HA ARG B 36 17.499 1.152 -25.383 1.00 0.00 H new ATOM 0 HB2 ARG B 36 16.465 -1.499 -24.556 1.00 0.00 H new ATOM 0 HB3 ARG B 36 17.850 -1.005 -23.603 1.00 0.00 H new ATOM 0 HG2 ARG B 36 16.790 1.120 -23.077 1.00 0.00 H new ATOM 0 HG3 ARG B 36 15.444 0.750 -24.135 1.00 0.00 H new ATOM 0 HD2 ARG B 36 14.594 0.216 -21.975 1.00 0.00 H new ATOM 0 HD3 ARG B 36 15.036 -1.349 -22.628 1.00 0.00 H new ATOM 0 HE ARG B 36 16.779 -1.544 -21.078 1.00 0.00 H new ATOM 0 HH11 ARG B 36 15.962 1.918 -21.004 1.00 0.00 H new ATOM 0 HH12 ARG B 36 16.505 2.042 -19.328 1.00 0.00 H new ATOM 0 HH21 ARG B 36 17.176 -1.329 -18.940 1.00 0.00 H new ATOM 0 HH22 ARG B 36 17.161 0.284 -18.220 1.00 0.00 H new ATOM 766 N HIS B 37 19.667 -1.182 -26.271 1.00 0.00 N ATOM 767 CA HIS B 37 21.083 -1.633 -26.172 1.00 0.00 C ATOM 768 C HIS B 37 21.897 -1.374 -27.409 1.00 0.00 C ATOM 769 O HIS B 37 23.055 -1.867 -27.530 1.00 0.00 O ATOM 770 CB HIS B 37 21.006 -3.117 -25.876 1.00 0.00 C ATOM 771 CG HIS B 37 20.576 -3.919 -27.097 1.00 0.00 C ATOM 772 ND1 HIS B 37 19.301 -3.923 -27.654 1.00 0.00 N ATOM 773 CD2 HIS B 37 21.402 -4.742 -27.828 1.00 0.00 C ATOM 774 CE1 HIS B 37 19.240 -4.930 -28.547 1.00 0.00 C ATOM 775 NE2 HIS B 37 20.547 -5.412 -28.646 1.00 0.00 N ATOM 0 H HIS B 37 19.102 -1.752 -26.900 1.00 0.00 H new ATOM 0 HA HIS B 37 21.598 -1.068 -25.395 1.00 0.00 H new ATOM 0 HB2 HIS B 37 21.979 -3.470 -25.534 1.00 0.00 H new ATOM 0 HB3 HIS B 37 20.301 -3.289 -25.062 1.00 0.00 H new ATOM 0 HD2 HIS B 37 22.476 -4.834 -27.766 1.00 0.00 H new ATOM 0 HE1 HIS B 37 18.367 -5.288 -29.073 1.00 0.00 H new ATOM 0 HE2 HIS B 37 20.827 -6.177 -29.260 1.00 0.00 H new ATOM 783 N THR B 38 21.390 -0.507 -28.282 1.00 0.00 N ATOM 784 CA THR B 38 22.072 -0.059 -29.523 1.00 0.00 C ATOM 785 C THR B 38 22.936 1.131 -29.143 1.00 0.00 C ATOM 786 O THR B 38 22.406 2.080 -28.528 1.00 0.00 O ATOM 787 CB THR B 38 21.011 0.352 -30.522 1.00 0.00 C ATOM 788 OG1 THR B 38 19.996 -0.568 -30.910 1.00 0.00 O ATOM 789 CG2 THR B 38 21.661 0.684 -31.797 1.00 0.00 C ATOM 0 H THR B 38 20.473 -0.079 -28.156 1.00 0.00 H new ATOM 0 HA THR B 38 22.687 -0.842 -29.966 1.00 0.00 H new ATOM 0 HB THR B 38 20.515 1.149 -29.968 1.00 0.00 H new ATOM 0 HG1 THR B 38 20.140 -0.840 -31.840 1.00 0.00 H new ATOM 0 HG21 THR B 38 20.905 0.981 -32.524 1.00 0.00 H new ATOM 0 HG22 THR B 38 22.362 1.505 -31.645 1.00 0.00 H new ATOM 0 HG23 THR B 38 22.199 -0.188 -32.169 1.00 0.00 H new ATOM 797 N PRO B 39 24.263 1.151 -29.404 1.00 0.00 N ATOM 798 CA PRO B 39 25.089 2.296 -28.949 1.00 0.00 C ATOM 799 C PRO B 39 24.915 3.488 -29.832 1.00 0.00 C ATOM 800 O PRO B 39 24.516 3.387 -31.015 1.00 0.00 O ATOM 801 CB PRO B 39 26.492 1.747 -28.855 1.00 0.00 C ATOM 802 CG PRO B 39 26.525 0.732 -29.998 1.00 0.00 C ATOM 803 CD PRO B 39 25.079 0.222 -30.097 1.00 0.00 C ATOM 0 HA PRO B 39 24.791 2.689 -27.977 1.00 0.00 H new ATOM 0 HB2 PRO B 39 27.243 2.527 -28.983 1.00 0.00 H new ATOM 0 HB3 PRO B 39 26.681 1.278 -27.889 1.00 0.00 H new ATOM 0 HG2 PRO B 39 26.848 1.194 -30.931 1.00 0.00 H new ATOM 0 HG3 PRO B 39 27.220 -0.081 -29.788 1.00 0.00 H new ATOM 0 HD2 PRO B 39 24.770 0.139 -31.139 1.00 0.00 H new ATOM 0 HD3 PRO B 39 24.990 -0.772 -29.658 1.00 0.00 H new ATOM 811 N LEU B 40 25.228 4.622 -29.212 1.00 0.00 N ATOM 812 CA LEU B 40 24.889 5.919 -29.783 1.00 0.00 C ATOM 813 C LEU B 40 25.946 6.325 -30.859 1.00 0.00 C ATOM 814 O LEU B 40 25.681 7.139 -31.773 1.00 0.00 O ATOM 815 CB LEU B 40 24.905 6.962 -28.636 1.00 0.00 C ATOM 816 CG LEU B 40 23.911 6.809 -27.555 1.00 0.00 C ATOM 817 CD1 LEU B 40 24.084 7.768 -26.464 1.00 0.00 C ATOM 818 CD2 LEU B 40 22.522 6.908 -28.151 1.00 0.00 C ATOM 0 H LEU B 40 25.714 4.668 -28.317 1.00 0.00 H new ATOM 0 HA LEU B 40 23.908 5.874 -30.255 1.00 0.00 H new ATOM 0 HB2 LEU B 40 25.897 6.948 -28.184 1.00 0.00 H new ATOM 0 HB3 LEU B 40 24.770 7.949 -29.078 1.00 0.00 H new ATOM 0 HG LEU B 40 24.060 5.828 -27.103 1.00 0.00 H new ATOM 0 HD11 LEU B 40 23.320 7.598 -25.705 1.00 0.00 H new ATOM 0 HD12 LEU B 40 25.071 7.640 -26.020 1.00 0.00 H new ATOM 0 HD13 LEU B 40 23.990 8.782 -26.853 1.00 0.00 H new ATOM 0 HD21 LEU B 40 21.779 6.796 -27.362 1.00 0.00 H new ATOM 0 HD22 LEU B 40 22.400 7.880 -28.630 1.00 0.00 H new ATOM 0 HD23 LEU B 40 22.387 6.119 -28.891 1.00 0.00 H new ATOM 830 N SER B 41 27.133 5.701 -30.873 1.00 0.00 N ATOM 831 CA SER B 41 28.089 5.652 -32.012 1.00 0.00 C ATOM 832 C SER B 41 27.615 5.399 -33.411 1.00 0.00 C ATOM 833 O SER B 41 28.065 6.078 -34.355 1.00 0.00 O ATOM 834 CB SER B 41 29.201 4.650 -31.640 1.00 0.00 C ATOM 835 OG SER B 41 28.737 3.312 -31.396 1.00 0.00 O ATOM 0 H SER B 41 27.477 5.191 -30.059 1.00 0.00 H new ATOM 0 HA SER B 41 28.404 6.691 -32.109 1.00 0.00 H new ATOM 0 HB2 SER B 41 29.936 4.626 -32.445 1.00 0.00 H new ATOM 0 HB3 SER B 41 29.716 5.011 -30.750 1.00 0.00 H new ATOM 0 HG SER B 41 29.498 2.738 -31.169 1.00 0.00 H new ATOM 841 N LYS B 42 26.584 4.478 -33.530 1.00 0.00 N ATOM 842 CA LYS B 42 25.847 4.264 -34.797 1.00 0.00 C ATOM 843 C LYS B 42 25.104 5.493 -35.184 1.00 0.00 C ATOM 844 O LYS B 42 25.061 5.778 -36.438 1.00 0.00 O ATOM 845 CB LYS B 42 24.918 3.013 -34.703 1.00 0.00 C ATOM 846 CG LYS B 42 25.793 1.736 -34.746 1.00 0.00 C ATOM 847 CD LYS B 42 24.979 0.405 -34.591 1.00 0.00 C ATOM 848 CE LYS B 42 25.934 -0.789 -34.817 1.00 0.00 C ATOM 849 NZ LYS B 42 26.135 -0.961 -36.279 1.00 0.00 N ATOM 0 H LYS B 42 26.264 3.889 -32.761 1.00 0.00 H new ATOM 0 HA LYS B 42 26.568 4.059 -35.588 1.00 0.00 H new ATOM 0 HB2 LYS B 42 24.338 3.042 -33.780 1.00 0.00 H new ATOM 0 HB3 LYS B 42 24.205 3.010 -35.528 1.00 0.00 H new ATOM 0 HG2 LYS B 42 26.336 1.711 -35.691 1.00 0.00 H new ATOM 0 HG3 LYS B 42 26.537 1.790 -33.952 1.00 0.00 H new ATOM 0 HD2 LYS B 42 24.532 0.349 -33.598 1.00 0.00 H new ATOM 0 HD3 LYS B 42 24.161 0.376 -35.311 1.00 0.00 H new ATOM 0 HE2 LYS B 42 26.888 -0.610 -34.322 1.00 0.00 H new ATOM 0 HE3 LYS B 42 25.515 -1.697 -34.383 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 25.910 -1.940 -36.548 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 25.511 -0.308 -36.794 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 27.126 -0.755 -36.520 1.00 0.00 H new ATOM 863 N LEU B 43 24.509 6.150 -34.192 1.00 0.00 N ATOM 864 CA LEU B 43 23.808 7.390 -34.469 1.00 0.00 C ATOM 865 C LEU B 43 24.751 8.593 -34.827 1.00 0.00 C ATOM 866 O LEU B 43 24.482 9.275 -35.777 1.00 0.00 O ATOM 867 CB LEU B 43 22.951 7.799 -33.190 1.00 0.00 C ATOM 868 CG LEU B 43 21.506 7.287 -33.161 1.00 0.00 C ATOM 869 CD1 LEU B 43 21.472 5.838 -33.331 1.00 0.00 C ATOM 870 CD2 LEU B 43 20.648 7.592 -31.855 1.00 0.00 C ATOM 0 H LEU B 43 24.499 5.852 -33.217 1.00 0.00 H new ATOM 0 HA LEU B 43 23.185 7.198 -35.343 1.00 0.00 H new ATOM 0 HB2 LEU B 43 23.464 7.433 -32.301 1.00 0.00 H new ATOM 0 HB3 LEU B 43 22.932 8.887 -33.122 1.00 0.00 H new ATOM 0 HG LEU B 43 21.052 7.846 -33.979 1.00 0.00 H new ATOM 0 HD11 LEU B 43 20.438 5.493 -33.308 1.00 0.00 H new ATOM 0 HD12 LEU B 43 21.921 5.573 -34.288 1.00 0.00 H new ATOM 0 HD13 LEU B 43 22.031 5.364 -32.524 1.00 0.00 H new ATOM 0 HD21 LEU B 43 19.648 7.174 -31.971 1.00 0.00 H new ATOM 0 HD22 LEU B 43 21.132 7.142 -30.988 1.00 0.00 H new ATOM 0 HD23 LEU B 43 20.576 8.670 -31.711 1.00 0.00 H new ATOM 882 N MET B 44 25.817 8.741 -34.071 1.00 0.00 N ATOM 883 CA MET B 44 26.836 9.767 -34.317 1.00 0.00 C ATOM 884 C MET B 44 27.429 9.544 -35.749 1.00 0.00 C ATOM 885 O MET B 44 27.588 10.478 -36.532 1.00 0.00 O ATOM 886 CB MET B 44 27.997 9.776 -33.299 1.00 0.00 C ATOM 887 CG MET B 44 27.728 10.030 -31.854 1.00 0.00 C ATOM 888 SD MET B 44 29.146 10.347 -30.786 1.00 0.00 S ATOM 889 CE MET B 44 30.229 8.970 -31.243 1.00 0.00 C ATOM 0 H MET B 44 26.013 8.154 -33.260 1.00 0.00 H new ATOM 0 HA MET B 44 26.334 10.729 -34.216 1.00 0.00 H new ATOM 0 HB2 MET B 44 28.496 8.809 -33.369 1.00 0.00 H new ATOM 0 HB3 MET B 44 28.712 10.529 -33.631 1.00 0.00 H new ATOM 0 HG2 MET B 44 27.055 10.885 -31.782 1.00 0.00 H new ATOM 0 HG3 MET B 44 27.192 9.168 -31.455 1.00 0.00 H new ATOM 0 HE1 MET B 44 31.180 9.066 -30.719 1.00 0.00 H new ATOM 0 HE2 MET B 44 29.756 8.028 -30.967 1.00 0.00 H new ATOM 0 HE3 MET B 44 30.404 8.987 -32.319 1.00 0.00 H new ATOM 899 N LYS B 45 27.601 8.273 -36.191 1.00 0.00 N ATOM 900 CA LYS B 45 28.139 8.001 -37.580 1.00 0.00 C ATOM 901 C LYS B 45 27.230 8.467 -38.703 1.00 0.00 C ATOM 902 O LYS B 45 27.681 9.217 -39.609 1.00 0.00 O ATOM 903 CB LYS B 45 28.516 6.484 -37.688 1.00 0.00 C ATOM 904 CG LYS B 45 29.841 6.253 -36.881 1.00 0.00 C ATOM 905 CD LYS B 45 30.016 4.729 -36.681 1.00 0.00 C ATOM 906 CE LYS B 45 31.179 4.552 -35.719 1.00 0.00 C ATOM 907 NZ LYS B 45 31.517 3.141 -35.580 1.00 0.00 N ATOM 0 H LYS B 45 27.389 7.439 -35.643 1.00 0.00 H new ATOM 0 HA LYS B 45 29.035 8.606 -37.716 1.00 0.00 H new ATOM 0 HB2 LYS B 45 27.714 5.863 -37.289 1.00 0.00 H new ATOM 0 HB3 LYS B 45 28.651 6.199 -38.731 1.00 0.00 H new ATOM 0 HG2 LYS B 45 30.693 6.667 -37.420 1.00 0.00 H new ATOM 0 HG3 LYS B 45 29.795 6.761 -35.918 1.00 0.00 H new ATOM 0 HD2 LYS B 45 29.107 4.284 -36.277 1.00 0.00 H new ATOM 0 HD3 LYS B 45 30.219 4.234 -37.631 1.00 0.00 H new ATOM 0 HE2 LYS B 45 32.045 5.105 -36.081 1.00 0.00 H new ATOM 0 HE3 LYS B 45 30.920 4.967 -34.745 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 32.314 3.038 -34.919 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 30.694 2.621 -35.214 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 31.785 2.755 -36.508 1.00 0.00 H new ATOM 921 N ALA B 46 26.065 7.940 -38.574 1.00 0.00 N ATOM 922 CA ALA B 46 25.055 8.153 -39.564 1.00 0.00 C ATOM 923 C ALA B 46 24.684 9.638 -39.836 1.00 0.00 C ATOM 924 O ALA B 46 24.419 10.069 -40.947 1.00 0.00 O ATOM 925 CB ALA B 46 23.861 7.311 -39.323 1.00 0.00 C ATOM 0 H ALA B 46 25.780 7.353 -37.790 1.00 0.00 H new ATOM 0 HA ALA B 46 25.519 7.828 -40.495 1.00 0.00 H new ATOM 0 HB1 ALA B 46 23.118 7.503 -40.097 1.00 0.00 H new ATOM 0 HB2 ALA B 46 24.147 6.259 -39.347 1.00 0.00 H new ATOM 0 HB3 ALA B 46 23.438 7.550 -38.347 1.00 0.00 H new ATOM 931 N TYR B 47 24.628 10.416 -38.764 1.00 0.00 N ATOM 932 CA TYR B 47 24.399 11.853 -38.735 1.00 0.00 C ATOM 933 C TYR B 47 25.534 12.637 -39.448 1.00 0.00 C ATOM 934 O TYR B 47 25.256 13.544 -40.194 1.00 0.00 O ATOM 935 CB TYR B 47 24.305 12.427 -37.272 1.00 0.00 C ATOM 936 CG TYR B 47 24.048 13.881 -37.269 1.00 0.00 C ATOM 937 CD1 TYR B 47 22.750 14.393 -37.315 1.00 0.00 C ATOM 938 CD2 TYR B 47 25.070 14.841 -37.134 1.00 0.00 C ATOM 939 CE1 TYR B 47 22.413 15.821 -37.272 1.00 0.00 C ATOM 940 CE2 TYR B 47 24.872 16.210 -37.209 1.00 0.00 C ATOM 941 CZ TYR B 47 23.514 16.688 -37.272 1.00 0.00 C ATOM 942 OH TYR B 47 23.314 18.053 -37.319 1.00 0.00 O ATOM 0 H TYR B 47 24.750 10.032 -37.827 1.00 0.00 H new ATOM 0 HA TYR B 47 23.449 11.988 -39.251 1.00 0.00 H new ATOM 0 HB2 TYR B 47 23.508 11.916 -36.732 1.00 0.00 H new ATOM 0 HB3 TYR B 47 25.234 12.221 -36.740 1.00 0.00 H new ATOM 0 HD1 TYR B 47 21.935 13.688 -37.387 1.00 0.00 H new ATOM 0 HD2 TYR B 47 26.075 14.486 -36.960 1.00 0.00 H new ATOM 0 HE1 TYR B 47 21.394 16.177 -37.243 1.00 0.00 H new ATOM 0 HE2 TYR B 47 25.707 16.895 -37.220 1.00 0.00 H new ATOM 0 HH TYR B 47 22.532 18.250 -37.875 1.00 0.00 H new ATOM 952 N CYS B 48 26.796 12.178 -39.280 1.00 0.00 N ATOM 953 CA CYS B 48 27.877 12.847 -39.888 1.00 0.00 C ATOM 954 C CYS B 48 27.930 12.586 -41.438 1.00 0.00 C ATOM 955 O CYS B 48 28.184 13.444 -42.269 1.00 0.00 O ATOM 956 CB CYS B 48 29.171 12.604 -39.087 1.00 0.00 C ATOM 957 SG CYS B 48 30.372 13.887 -39.322 1.00 0.00 S ATOM 0 H CYS B 48 27.048 11.357 -38.730 1.00 0.00 H new ATOM 0 HA CYS B 48 27.733 13.926 -39.842 1.00 0.00 H new ATOM 0 HB2 CYS B 48 28.929 12.529 -38.027 1.00 0.00 H new ATOM 0 HB3 CYS B 48 29.603 11.648 -39.384 1.00 0.00 H new ATOM 0 HG CYS B 48 30.962 13.724 -40.469 1.00 0.00 H new ATOM 963 N GLU B 49 27.621 11.395 -41.899 1.00 0.00 N ATOM 964 CA GLU B 49 27.436 11.057 -43.316 1.00 0.00 C ATOM 965 C GLU B 49 26.254 11.840 -43.854 1.00 0.00 C ATOM 966 O GLU B 49 26.402 12.457 -44.893 1.00 0.00 O ATOM 967 CB GLU B 49 27.156 9.585 -43.374 1.00 0.00 C ATOM 968 CG GLU B 49 28.307 8.610 -43.183 1.00 0.00 C ATOM 969 CD GLU B 49 28.105 7.028 -43.257 1.00 0.00 C ATOM 970 OE1 GLU B 49 26.885 6.680 -43.384 1.00 0.00 O ATOM 971 OE2 GLU B 49 29.000 6.204 -43.261 1.00 0.00 O ATOM 0 H GLU B 49 27.483 10.594 -41.282 1.00 0.00 H new ATOM 0 HA GLU B 49 28.314 11.303 -43.913 1.00 0.00 H new ATOM 0 HB2 GLU B 49 26.406 9.362 -42.615 1.00 0.00 H new ATOM 0 HB3 GLU B 49 26.702 9.374 -44.342 1.00 0.00 H new ATOM 0 HG2 GLU B 49 29.060 8.865 -43.929 1.00 0.00 H new ATOM 0 HG3 GLU B 49 28.740 8.825 -42.206 1.00 0.00 H new ATOM 978 N ARG B 50 25.066 11.868 -43.174 1.00 0.00 N ATOM 979 CA ARG B 50 23.891 12.630 -43.656 1.00 0.00 C ATOM 980 C ARG B 50 24.263 14.116 -43.928 1.00 0.00 C ATOM 981 O ARG B 50 23.740 14.731 -44.849 1.00 0.00 O ATOM 982 CB ARG B 50 22.765 12.523 -42.609 1.00 0.00 C ATOM 983 CG ARG B 50 21.802 11.299 -42.775 1.00 0.00 C ATOM 984 CD ARG B 50 20.629 11.336 -41.840 1.00 0.00 C ATOM 985 NE ARG B 50 19.536 10.485 -42.405 1.00 0.00 N ATOM 986 CZ ARG B 50 18.690 10.819 -43.320 1.00 0.00 C ATOM 987 NH1 ARG B 50 18.520 12.057 -43.762 1.00 0.00 N ATOM 988 NH2 ARG B 50 18.059 9.825 -43.814 1.00 0.00 N ATOM 0 H ARG B 50 24.907 11.372 -42.297 1.00 0.00 H new ATOM 0 HA ARG B 50 23.548 12.208 -44.600 1.00 0.00 H new ATOM 0 HB2 ARG B 50 23.217 12.475 -41.618 1.00 0.00 H new ATOM 0 HB3 ARG B 50 22.172 13.437 -42.645 1.00 0.00 H new ATOM 0 HG2 ARG B 50 21.438 11.268 -43.802 1.00 0.00 H new ATOM 0 HG3 ARG B 50 22.362 10.379 -42.608 1.00 0.00 H new ATOM 0 HD2 ARG B 50 20.920 10.972 -40.855 1.00 0.00 H new ATOM 0 HD3 ARG B 50 20.281 12.361 -41.711 1.00 0.00 H new ATOM 0 HE ARG B 50 19.451 9.541 -42.027 1.00 0.00 H new ATOM 0 HH11 ARG B 50 19.078 12.818 -43.375 1.00 0.00 H new ATOM 0 HH12 ARG B 50 17.831 12.249 -44.489 1.00 0.00 H new ATOM 0 HH21 ARG B 50 18.249 8.881 -43.477 1.00 0.00 H new ATOM 0 HH22 ARG B 50 17.365 9.975 -44.546 1.00 0.00 H new ATOM 1002 N GLN B 51 25.055 14.700 -42.973 1.00 0.00 N ATOM 1003 CA GLN B 51 25.429 16.134 -43.138 1.00 0.00 C ATOM 1004 C GLN B 51 26.623 16.371 -44.149 1.00 0.00 C ATOM 1005 O GLN B 51 26.844 17.509 -44.485 1.00 0.00 O ATOM 1006 CB GLN B 51 25.695 16.626 -41.671 1.00 0.00 C ATOM 1007 CG GLN B 51 24.340 16.775 -40.885 1.00 0.00 C ATOM 1008 CD GLN B 51 24.267 18.227 -40.428 1.00 0.00 C ATOM 1009 OE1 GLN B 51 25.154 18.693 -39.716 1.00 0.00 O ATOM 1010 NE2 GLN B 51 23.203 18.851 -40.763 1.00 0.00 N ATOM 0 H GLN B 51 25.421 14.237 -42.141 1.00 0.00 H new ATOM 0 HA GLN B 51 24.641 16.718 -43.614 1.00 0.00 H new ATOM 0 HB2 GLN B 51 26.345 15.918 -41.156 1.00 0.00 H new ATOM 0 HB3 GLN B 51 26.218 17.582 -41.691 1.00 0.00 H new ATOM 0 HG2 GLN B 51 23.492 16.525 -41.522 1.00 0.00 H new ATOM 0 HG3 GLN B 51 24.309 16.097 -40.032 1.00 0.00 H new ATOM 0 HE21 GLN B 51 22.511 18.396 -41.359 1.00 0.00 H new ATOM 0 HE22 GLN B 51 23.046 19.804 -40.435 1.00 0.00 H new ATOM 1019 N GLY B 52 27.287 15.323 -44.645 1.00 0.00 N ATOM 1020 CA GLY B 52 28.396 15.470 -45.553 1.00 0.00 C ATOM 1021 C GLY B 52 29.818 15.888 -44.957 1.00 0.00 C ATOM 1022 O GLY B 52 30.604 16.438 -45.675 1.00 0.00 O ATOM 0 H GLY B 52 27.060 14.354 -44.420 1.00 0.00 H new ATOM 0 HA2 GLY B 52 28.522 14.523 -46.079 1.00 0.00 H new ATOM 0 HA3 GLY B 52 28.117 16.214 -46.299 1.00 0.00 H new ATOM 1026 N LEU B 53 30.149 15.542 -43.716 1.00 0.00 N ATOM 1027 CA LEU B 53 31.154 16.153 -42.917 1.00 0.00 C ATOM 1028 C LEU B 53 32.199 15.122 -42.343 1.00 0.00 C ATOM 1029 O LEU B 53 31.964 13.875 -42.363 1.00 0.00 O ATOM 1030 CB LEU B 53 30.517 16.901 -41.792 1.00 0.00 C ATOM 1031 CG LEU B 53 29.363 17.881 -42.236 1.00 0.00 C ATOM 1032 CD1 LEU B 53 28.851 18.594 -40.963 1.00 0.00 C ATOM 1033 CD2 LEU B 53 29.868 18.930 -43.234 1.00 0.00 C ATOM 0 H LEU B 53 29.681 14.777 -43.230 1.00 0.00 H new ATOM 0 HA LEU B 53 31.704 16.834 -43.566 1.00 0.00 H new ATOM 0 HB2 LEU B 53 30.114 16.184 -41.077 1.00 0.00 H new ATOM 0 HB3 LEU B 53 31.284 17.474 -41.271 1.00 0.00 H new ATOM 0 HG LEU B 53 28.573 17.313 -42.728 1.00 0.00 H new ATOM 0 HD11 LEU B 53 28.049 19.283 -41.229 1.00 0.00 H new ATOM 0 HD12 LEU B 53 28.474 17.853 -40.258 1.00 0.00 H new ATOM 0 HD13 LEU B 53 29.669 19.149 -40.503 1.00 0.00 H new ATOM 0 HD21 LEU B 53 29.046 19.588 -43.518 1.00 0.00 H new ATOM 0 HD22 LEU B 53 30.661 19.519 -42.773 1.00 0.00 H new ATOM 0 HD23 LEU B 53 30.256 18.431 -44.122 1.00 0.00 H new ATOM 1045 N SER B 54 33.396 15.479 -41.951 1.00 0.00 N ATOM 1046 CA SER B 54 34.220 14.708 -41.059 1.00 0.00 C ATOM 1047 C SER B 54 33.730 14.764 -39.560 1.00 0.00 C ATOM 1048 O SER B 54 33.471 15.799 -38.955 1.00 0.00 O ATOM 1049 CB SER B 54 35.629 15.332 -41.106 1.00 0.00 C ATOM 1050 OG SER B 54 36.689 14.588 -40.579 1.00 0.00 O ATOM 0 H SER B 54 33.838 16.346 -42.256 1.00 0.00 H new ATOM 0 HA SER B 54 34.187 13.666 -41.378 1.00 0.00 H new ATOM 0 HB2 SER B 54 35.862 15.556 -42.147 1.00 0.00 H new ATOM 0 HB3 SER B 54 35.592 16.284 -40.576 1.00 0.00 H new ATOM 0 HG SER B 54 37.523 15.095 -40.672 1.00 0.00 H new ATOM 1056 N MET B 55 33.795 13.575 -38.857 1.00 0.00 N ATOM 1057 CA MET B 55 33.385 13.398 -37.403 1.00 0.00 C ATOM 1058 C MET B 55 34.178 14.336 -36.490 1.00 0.00 C ATOM 1059 O MET B 55 33.663 14.855 -35.504 1.00 0.00 O ATOM 1060 CB MET B 55 33.573 11.916 -37.033 1.00 0.00 C ATOM 1061 CG MET B 55 32.793 11.492 -35.831 1.00 0.00 C ATOM 1062 SD MET B 55 32.949 9.818 -35.097 1.00 0.00 S ATOM 1063 CE MET B 55 31.776 9.063 -36.100 1.00 0.00 C ATOM 0 H MET B 55 34.133 12.711 -39.281 1.00 0.00 H new ATOM 0 HA MET B 55 32.338 13.667 -37.266 1.00 0.00 H new ATOM 0 HB2 MET B 55 33.279 11.299 -37.882 1.00 0.00 H new ATOM 0 HB3 MET B 55 34.631 11.727 -36.853 1.00 0.00 H new ATOM 0 HG2 MET B 55 33.029 12.203 -35.039 1.00 0.00 H new ATOM 0 HG3 MET B 55 31.740 11.628 -36.078 1.00 0.00 H new ATOM 0 HE1 MET B 55 32.133 8.077 -36.398 1.00 0.00 H new ATOM 0 HE2 MET B 55 30.840 8.959 -35.551 1.00 0.00 H new ATOM 0 HE3 MET B 55 31.610 9.673 -36.988 1.00 0.00 H new ATOM 1073 N ARG B 56 35.491 14.486 -36.794 1.00 0.00 N ATOM 1074 CA ARG B 56 36.517 15.146 -36.011 1.00 0.00 C ATOM 1075 C ARG B 56 36.195 16.681 -35.849 1.00 0.00 C ATOM 1076 O ARG B 56 36.552 17.242 -34.794 1.00 0.00 O ATOM 1077 CB ARG B 56 37.825 14.998 -36.850 1.00 0.00 C ATOM 1078 CG ARG B 56 39.074 15.542 -36.141 1.00 0.00 C ATOM 1079 CD ARG B 56 40.231 15.768 -37.192 1.00 0.00 C ATOM 1080 NE ARG B 56 40.635 14.420 -37.568 1.00 0.00 N ATOM 1081 CZ ARG B 56 40.635 13.851 -38.778 1.00 0.00 C ATOM 1082 NH1 ARG B 56 40.717 14.535 -39.863 1.00 0.00 N ATOM 1083 NH2 ARG B 56 40.646 12.593 -38.973 1.00 0.00 N ATOM 0 H ARG B 56 35.870 14.113 -37.665 1.00 0.00 H new ATOM 0 HA ARG B 56 36.593 14.713 -35.014 1.00 0.00 H new ATOM 0 HB2 ARG B 56 37.980 13.945 -37.084 1.00 0.00 H new ATOM 0 HB3 ARG B 56 37.699 15.520 -37.799 1.00 0.00 H new ATOM 0 HG2 ARG B 56 38.838 16.480 -35.639 1.00 0.00 H new ATOM 0 HG3 ARG B 56 39.401 14.842 -35.372 1.00 0.00 H new ATOM 0 HD2 ARG B 56 39.881 16.335 -38.055 1.00 0.00 H new ATOM 0 HD3 ARG B 56 41.060 16.327 -36.758 1.00 0.00 H new ATOM 0 HE ARG B 56 40.963 13.829 -36.804 1.00 0.00 H new ATOM 0 HH11 ARG B 56 40.785 15.552 -39.821 1.00 0.00 H new ATOM 0 HH12 ARG B 56 40.714 14.061 -40.766 1.00 0.00 H new ATOM 0 HH21 ARG B 56 40.656 11.954 -38.178 1.00 0.00 H new ATOM 0 HH22 ARG B 56 40.645 12.224 -39.924 1.00 0.00 H new ATOM 1097 N GLN B 57 35.426 17.268 -36.717 1.00 0.00 N ATOM 1098 CA GLN B 57 35.075 18.722 -36.596 1.00 0.00 C ATOM 1099 C GLN B 57 33.767 19.092 -35.790 1.00 0.00 C ATOM 1100 O GLN B 57 33.353 20.256 -35.637 1.00 0.00 O ATOM 1101 CB GLN B 57 34.909 19.240 -38.044 1.00 0.00 C ATOM 1102 CG GLN B 57 33.502 19.028 -38.664 1.00 0.00 C ATOM 1103 CD GLN B 57 33.488 19.283 -40.153 1.00 0.00 C ATOM 1104 OE1 GLN B 57 34.348 18.778 -40.847 1.00 0.00 O ATOM 1105 NE2 GLN B 57 32.571 20.041 -40.664 1.00 0.00 N ATOM 0 H GLN B 57 35.014 16.799 -37.524 1.00 0.00 H new ATOM 0 HA GLN B 57 35.877 19.179 -36.016 1.00 0.00 H new ATOM 0 HB2 GLN B 57 35.139 20.305 -38.060 1.00 0.00 H new ATOM 0 HB3 GLN B 57 35.646 18.745 -38.677 1.00 0.00 H new ATOM 0 HG2 GLN B 57 33.171 18.008 -38.469 1.00 0.00 H new ATOM 0 HG3 GLN B 57 32.789 19.693 -38.177 1.00 0.00 H new ATOM 0 HE21 GLN B 57 31.858 20.455 -40.063 1.00 0.00 H new ATOM 0 HE22 GLN B 57 32.561 20.224 -41.667 1.00 0.00 H new ATOM 1114 N ILE B 58 33.054 18.104 -35.194 1.00 0.00 N ATOM 1115 CA ILE B 58 31.850 18.252 -34.395 1.00 0.00 C ATOM 1116 C ILE B 58 31.900 17.417 -33.074 1.00 0.00 C ATOM 1117 O ILE B 58 32.661 16.438 -32.970 1.00 0.00 O ATOM 1118 CB ILE B 58 30.528 18.078 -35.038 1.00 0.00 C ATOM 1119 CG1 ILE B 58 30.311 16.718 -35.672 1.00 0.00 C ATOM 1120 CG2 ILE B 58 30.109 19.312 -35.885 1.00 0.00 C ATOM 1121 CD1 ILE B 58 29.103 16.444 -36.562 1.00 0.00 C ATOM 0 H ILE B 58 33.337 17.127 -35.274 1.00 0.00 H new ATOM 0 HA ILE B 58 31.896 19.323 -34.197 1.00 0.00 H new ATOM 0 HB ILE B 58 29.795 18.056 -34.231 1.00 0.00 H new ATOM 0 HG12 ILE B 58 31.199 16.498 -36.264 1.00 0.00 H new ATOM 0 HG13 ILE B 58 30.280 15.990 -34.861 1.00 0.00 H new ATOM 0 HG21 ILE B 58 29.132 19.131 -36.334 1.00 0.00 H new ATOM 0 HG22 ILE B 58 30.056 20.192 -35.244 1.00 0.00 H new ATOM 0 HG23 ILE B 58 30.844 19.480 -36.672 1.00 0.00 H new ATOM 0 HD11 ILE B 58 29.136 15.413 -36.913 1.00 0.00 H new ATOM 0 HD12 ILE B 58 28.188 16.604 -35.992 1.00 0.00 H new ATOM 0 HD13 ILE B 58 29.121 17.119 -37.417 1.00 0.00 H new ATOM 1133 N ARG B 59 31.088 17.764 -32.062 1.00 0.00 N ATOM 1134 CA ARG B 59 30.913 17.074 -30.787 1.00 0.00 C ATOM 1135 C ARG B 59 29.426 16.855 -30.472 1.00 0.00 C ATOM 1136 O ARG B 59 28.704 17.857 -30.394 1.00 0.00 O ATOM 1137 CB ARG B 59 31.627 17.911 -29.771 1.00 0.00 C ATOM 1138 CG ARG B 59 33.191 18.161 -29.928 1.00 0.00 C ATOM 1139 CD ARG B 59 33.943 16.807 -29.823 1.00 0.00 C ATOM 1140 NE ARG B 59 35.354 17.077 -29.999 1.00 0.00 N ATOM 1141 CZ ARG B 59 36.037 17.091 -31.144 1.00 0.00 C ATOM 1142 NH1 ARG B 59 35.592 16.698 -32.289 1.00 0.00 N ATOM 1143 NH2 ARG B 59 37.188 17.592 -31.155 1.00 0.00 N ATOM 0 H ARG B 59 30.498 18.594 -32.124 1.00 0.00 H new ATOM 0 HA ARG B 59 31.333 16.068 -30.799 1.00 0.00 H new ATOM 0 HB2 ARG B 59 31.140 18.886 -29.749 1.00 0.00 H new ATOM 0 HB3 ARG B 59 31.465 17.452 -28.796 1.00 0.00 H new ATOM 0 HG2 ARG B 59 33.400 18.632 -30.888 1.00 0.00 H new ATOM 0 HG3 ARG B 59 33.541 18.845 -29.154 1.00 0.00 H new ATOM 0 HD2 ARG B 59 33.760 16.341 -28.855 1.00 0.00 H new ATOM 0 HD3 ARG B 59 33.588 16.112 -30.584 1.00 0.00 H new ATOM 0 HE ARG B 59 35.885 17.279 -29.152 1.00 0.00 H new ATOM 0 HH11 ARG B 59 34.641 16.338 -32.370 1.00 0.00 H new ATOM 0 HH12 ARG B 59 36.191 16.747 -33.113 1.00 0.00 H new ATOM 0 HH21 ARG B 59 37.584 17.979 -30.298 1.00 0.00 H new ATOM 0 HH22 ARG B 59 37.727 17.612 -32.021 1.00 0.00 H new ATOM 1157 N PHE B 60 29.067 15.602 -30.311 1.00 0.00 N ATOM 1158 CA PHE B 60 27.723 15.077 -29.997 1.00 0.00 C ATOM 1159 C PHE B 60 27.533 14.900 -28.458 1.00 0.00 C ATOM 1160 O PHE B 60 28.276 14.241 -27.696 1.00 0.00 O ATOM 1161 CB PHE B 60 27.523 13.695 -30.563 1.00 0.00 C ATOM 1162 CG PHE B 60 27.557 13.616 -32.103 1.00 0.00 C ATOM 1163 CD1 PHE B 60 26.345 13.671 -32.749 1.00 0.00 C ATOM 1164 CD2 PHE B 60 28.751 13.289 -32.704 1.00 0.00 C ATOM 1165 CE1 PHE B 60 26.394 13.550 -34.151 1.00 0.00 C ATOM 1166 CE2 PHE B 60 28.802 13.075 -34.099 1.00 0.00 C ATOM 1167 CZ PHE B 60 27.662 13.361 -34.825 1.00 0.00 C ATOM 0 H PHE B 60 29.749 14.849 -30.400 1.00 0.00 H new ATOM 0 HA PHE B 60 27.023 15.797 -30.421 1.00 0.00 H new ATOM 0 HB2 PHE B 60 28.295 13.038 -30.162 1.00 0.00 H new ATOM 0 HB3 PHE B 60 26.565 13.310 -30.214 1.00 0.00 H new ATOM 0 HD1 PHE B 60 25.415 13.799 -32.215 1.00 0.00 H new ATOM 0 HD2 PHE B 60 29.648 13.196 -32.110 1.00 0.00 H new ATOM 0 HE1 PHE B 60 25.481 13.598 -34.727 1.00 0.00 H new ATOM 0 HE2 PHE B 60 29.695 12.703 -34.578 1.00 0.00 H new ATOM 0 HZ PHE B 60 27.717 13.444 -35.900 1.00 0.00 H new ATOM 1177 N ARG B 61 26.441 15.488 -27.944 1.00 0.00 N ATOM 1178 CA ARG B 61 26.126 15.715 -26.513 1.00 0.00 C ATOM 1179 C ARG B 61 24.766 15.193 -26.129 1.00 0.00 C ATOM 1180 O ARG B 61 23.793 15.270 -26.877 1.00 0.00 O ATOM 1181 CB ARG B 61 26.400 17.178 -26.015 1.00 0.00 C ATOM 1182 CG ARG B 61 27.836 17.573 -25.958 1.00 0.00 C ATOM 1183 CD ARG B 61 28.074 19.083 -25.540 1.00 0.00 C ATOM 1184 NE ARG B 61 29.430 19.509 -25.907 1.00 0.00 N ATOM 1185 CZ ARG B 61 29.824 20.747 -26.191 1.00 0.00 C ATOM 1186 NH1 ARG B 61 29.007 21.745 -25.895 1.00 0.00 N ATOM 1187 NH2 ARG B 61 31.035 20.914 -26.633 1.00 0.00 N ATOM 0 H ARG B 61 25.703 15.843 -28.552 1.00 0.00 H new ATOM 0 HA ARG B 61 26.847 15.110 -25.963 1.00 0.00 H new ATOM 0 HB2 ARG B 61 25.875 17.872 -26.672 1.00 0.00 H new ATOM 0 HB3 ARG B 61 25.969 17.292 -25.020 1.00 0.00 H new ATOM 0 HG2 ARG B 61 28.352 16.925 -25.250 1.00 0.00 H new ATOM 0 HG3 ARG B 61 28.288 17.402 -26.935 1.00 0.00 H new ATOM 0 HD2 ARG B 61 27.340 19.723 -26.030 1.00 0.00 H new ATOM 0 HD3 ARG B 61 27.929 19.197 -24.466 1.00 0.00 H new ATOM 0 HE ARG B 61 30.143 18.781 -25.948 1.00 0.00 H new ATOM 0 HH11 ARG B 61 28.104 21.553 -25.461 1.00 0.00 H new ATOM 0 HH12 ARG B 61 29.280 22.706 -26.100 1.00 0.00 H new ATOM 0 HH21 ARG B 61 31.650 20.109 -26.752 1.00 0.00 H new ATOM 0 HH22 ARG B 61 31.370 21.850 -26.861 1.00 0.00 H new ATOM 1201 N PHE B 62 24.712 14.766 -24.874 1.00 0.00 N ATOM 1202 CA PHE B 62 23.500 14.541 -24.097 1.00 0.00 C ATOM 1203 C PHE B 62 23.685 14.728 -22.589 1.00 0.00 C ATOM 1204 O PHE B 62 24.711 14.307 -22.058 1.00 0.00 O ATOM 1205 CB PHE B 62 22.949 13.142 -24.367 1.00 0.00 C ATOM 1206 CG PHE B 62 21.679 12.761 -23.677 1.00 0.00 C ATOM 1207 CD1 PHE B 62 20.471 13.505 -23.939 1.00 0.00 C ATOM 1208 CD2 PHE B 62 21.557 11.593 -22.865 1.00 0.00 C ATOM 1209 CE1 PHE B 62 19.259 13.222 -23.324 1.00 0.00 C ATOM 1210 CE2 PHE B 62 20.383 11.233 -22.267 1.00 0.00 C ATOM 1211 CZ PHE B 62 19.228 12.091 -22.413 1.00 0.00 C ATOM 0 H PHE B 62 25.557 14.556 -24.343 1.00 0.00 H new ATOM 0 HA PHE B 62 22.794 15.304 -24.425 1.00 0.00 H new ATOM 0 HB2 PHE B 62 22.792 13.043 -25.441 1.00 0.00 H new ATOM 0 HB3 PHE B 62 23.715 12.418 -24.088 1.00 0.00 H new ATOM 0 HD1 PHE B 62 20.511 14.320 -24.646 1.00 0.00 H new ATOM 0 HD2 PHE B 62 22.427 10.970 -22.718 1.00 0.00 H new ATOM 0 HE1 PHE B 62 18.378 13.817 -23.515 1.00 0.00 H new ATOM 0 HE2 PHE B 62 20.318 10.320 -21.693 1.00 0.00 H new ATOM 0 HZ PHE B 62 18.335 11.889 -21.840 1.00 0.00 H new ATOM 1221 N ASP B 63 22.653 15.142 -21.919 1.00 0.00 N ATOM 1222 CA ASP B 63 22.694 15.364 -20.437 1.00 0.00 C ATOM 1223 C ASP B 63 23.729 16.388 -19.903 1.00 0.00 C ATOM 1224 O ASP B 63 24.121 16.397 -18.735 1.00 0.00 O ATOM 1225 CB ASP B 63 22.659 14.034 -19.673 1.00 0.00 C ATOM 1226 CG ASP B 63 22.088 14.171 -18.272 1.00 0.00 C ATOM 1227 OD1 ASP B 63 21.267 15.030 -18.036 1.00 0.00 O ATOM 1228 OD2 ASP B 63 22.406 13.450 -17.283 1.00 0.00 O ATOM 0 H ASP B 63 21.749 15.345 -22.345 1.00 0.00 H new ATOM 0 HA ASP B 63 21.768 15.896 -20.218 1.00 0.00 H new ATOM 0 HB2 ASP B 63 22.063 13.314 -20.234 1.00 0.00 H new ATOM 0 HB3 ASP B 63 23.670 13.630 -19.610 1.00 0.00 H new ATOM 1233 N GLY B 64 24.243 17.256 -20.815 1.00 0.00 N ATOM 1234 CA GLY B 64 25.377 18.155 -20.585 1.00 0.00 C ATOM 1235 C GLY B 64 26.775 17.579 -20.782 1.00 0.00 C ATOM 1236 O GLY B 64 27.798 18.210 -20.351 1.00 0.00 O ATOM 0 H GLY B 64 23.859 17.342 -21.756 1.00 0.00 H new ATOM 0 HA2 GLY B 64 25.268 19.012 -21.249 1.00 0.00 H new ATOM 0 HA3 GLY B 64 25.308 18.532 -19.565 1.00 0.00 H new ATOM 1240 N GLN B 65 26.792 16.427 -21.433 1.00 0.00 N ATOM 1241 CA GLN B 65 27.994 15.576 -21.378 1.00 0.00 C ATOM 1242 C GLN B 65 28.322 15.034 -22.769 1.00 0.00 C ATOM 1243 O GLN B 65 27.379 14.735 -23.499 1.00 0.00 O ATOM 1244 CB GLN B 65 27.648 14.571 -20.272 1.00 0.00 C ATOM 1245 CG GLN B 65 27.637 15.112 -18.830 1.00 0.00 C ATOM 1246 CD GLN B 65 28.929 15.611 -18.128 1.00 0.00 C ATOM 1247 OE1 GLN B 65 29.925 15.937 -18.696 1.00 0.00 O ATOM 1248 NE2 GLN B 65 28.982 15.644 -16.803 1.00 0.00 N ATOM 0 H GLN B 65 26.021 16.059 -21.991 1.00 0.00 H new ATOM 0 HA GLN B 65 28.933 16.067 -21.121 1.00 0.00 H new ATOM 0 HB2 GLN B 65 26.665 14.153 -20.487 1.00 0.00 H new ATOM 0 HB3 GLN B 65 28.362 13.749 -20.322 1.00 0.00 H new ATOM 0 HG2 GLN B 65 26.929 15.940 -18.811 1.00 0.00 H new ATOM 0 HG3 GLN B 65 27.223 14.324 -18.202 1.00 0.00 H new ATOM 0 HE21 GLN B 65 28.165 15.378 -16.253 1.00 0.00 H new ATOM 0 HE22 GLN B 65 29.840 15.936 -16.334 1.00 0.00 H new ATOM 1257 N PRO B 66 29.602 14.804 -23.080 1.00 0.00 N ATOM 1258 CA PRO B 66 29.997 13.973 -24.209 1.00 0.00 C ATOM 1259 C PRO B 66 29.481 12.462 -24.207 1.00 0.00 C ATOM 1260 O PRO B 66 29.364 11.888 -23.097 1.00 0.00 O ATOM 1261 CB PRO B 66 31.526 14.004 -24.199 1.00 0.00 C ATOM 1262 CG PRO B 66 31.844 14.355 -22.800 1.00 0.00 C ATOM 1263 CD PRO B 66 30.792 15.227 -22.349 1.00 0.00 C ATOM 0 HA PRO B 66 29.532 14.381 -25.107 1.00 0.00 H new ATOM 0 HB2 PRO B 66 31.951 13.040 -24.479 1.00 0.00 H new ATOM 0 HB3 PRO B 66 31.919 14.741 -24.899 1.00 0.00 H new ATOM 0 HG2 PRO B 66 31.900 13.461 -22.179 1.00 0.00 H new ATOM 0 HG3 PRO B 66 32.813 14.850 -22.735 1.00 0.00 H new ATOM 0 HD2 PRO B 66 30.644 15.141 -21.273 1.00 0.00 H new ATOM 0 HD3 PRO B 66 31.030 16.270 -22.555 1.00 0.00 H new ATOM 1271 N ILE B 67 29.102 11.935 -25.365 1.00 0.00 N ATOM 1272 CA ILE B 67 28.704 10.510 -25.603 1.00 0.00 C ATOM 1273 C ILE B 67 30.035 9.712 -25.682 1.00 0.00 C ATOM 1274 O ILE B 67 30.970 10.137 -26.387 1.00 0.00 O ATOM 1275 CB ILE B 67 27.935 10.378 -26.964 1.00 0.00 C ATOM 1276 CG1 ILE B 67 26.639 11.120 -26.798 1.00 0.00 C ATOM 1277 CG2 ILE B 67 27.731 8.845 -27.294 1.00 0.00 C ATOM 1278 CD1 ILE B 67 25.852 11.245 -28.124 1.00 0.00 C ATOM 0 H ILE B 67 29.054 12.495 -26.216 1.00 0.00 H new ATOM 0 HA ILE B 67 28.048 10.143 -24.814 1.00 0.00 H new ATOM 0 HB ILE B 67 28.482 10.805 -27.804 1.00 0.00 H new ATOM 0 HG12 ILE B 67 26.022 10.606 -26.061 1.00 0.00 H new ATOM 0 HG13 ILE B 67 26.842 12.116 -26.405 1.00 0.00 H new ATOM 0 HG21 ILE B 67 27.197 8.744 -28.239 1.00 0.00 H new ATOM 0 HG22 ILE B 67 28.703 8.357 -27.372 1.00 0.00 H new ATOM 0 HG23 ILE B 67 27.153 8.375 -26.498 1.00 0.00 H new ATOM 0 HD11 ILE B 67 24.924 11.789 -27.947 1.00 0.00 H new ATOM 0 HD12 ILE B 67 26.455 11.783 -28.855 1.00 0.00 H new ATOM 0 HD13 ILE B 67 25.622 10.250 -28.506 1.00 0.00 H new ATOM 1290 N ASN B 68 30.160 8.566 -25.022 1.00 0.00 N ATOM 1291 CA ASN B 68 31.250 7.591 -25.270 1.00 0.00 C ATOM 1292 C ASN B 68 30.880 6.436 -26.247 1.00 0.00 C ATOM 1293 O ASN B 68 29.691 6.034 -26.110 1.00 0.00 O ATOM 1294 CB ASN B 68 31.734 7.015 -23.907 1.00 0.00 C ATOM 1295 CG ASN B 68 31.895 7.980 -22.857 1.00 0.00 C ATOM 1296 OD1 ASN B 68 32.922 8.581 -22.682 1.00 0.00 O ATOM 1297 ND2 ASN B 68 30.928 8.147 -21.990 1.00 0.00 N ATOM 0 H ASN B 68 29.511 8.273 -24.292 1.00 0.00 H new ATOM 0 HA ASN B 68 32.048 8.139 -25.771 1.00 0.00 H new ATOM 0 HB2 ASN B 68 31.022 6.259 -23.577 1.00 0.00 H new ATOM 0 HB3 ASN B 68 32.687 6.509 -24.063 1.00 0.00 H new ATOM 0 HD21 ASN B 68 31.058 8.772 -21.195 1.00 0.00 H new ATOM 0 HD22 ASN B 68 30.044 7.652 -22.110 1.00 0.00 H new ATOM 1304 N GLU B 69 31.730 5.890 -27.115 1.00 0.00 N ATOM 1305 CA GLU B 69 31.290 4.827 -28.080 1.00 0.00 C ATOM 1306 C GLU B 69 30.684 3.589 -27.430 1.00 0.00 C ATOM 1307 O GLU B 69 30.048 2.849 -28.207 1.00 0.00 O ATOM 1308 CB GLU B 69 32.414 4.417 -29.019 1.00 0.00 C ATOM 1309 CG GLU B 69 32.757 5.507 -30.057 1.00 0.00 C ATOM 1310 CD GLU B 69 33.856 5.222 -30.952 1.00 0.00 C ATOM 1311 OE1 GLU B 69 34.935 4.786 -30.487 1.00 0.00 O ATOM 1312 OE2 GLU B 69 33.783 5.384 -32.179 1.00 0.00 O ATOM 0 H GLU B 69 32.715 6.145 -27.187 1.00 0.00 H new ATOM 0 HA GLU B 69 30.490 5.299 -28.650 1.00 0.00 H new ATOM 0 HB2 GLU B 69 33.304 4.187 -28.433 1.00 0.00 H new ATOM 0 HB3 GLU B 69 32.130 3.503 -29.540 1.00 0.00 H new ATOM 0 HG2 GLU B 69 31.868 5.698 -30.658 1.00 0.00 H new ATOM 0 HG3 GLU B 69 32.983 6.429 -29.522 1.00 0.00 H new ATOM 1319 N THR B 70 30.722 3.374 -26.130 1.00 0.00 N ATOM 1320 CA THR B 70 29.986 2.309 -25.408 1.00 0.00 C ATOM 1321 C THR B 70 28.659 2.748 -24.757 1.00 0.00 C ATOM 1322 O THR B 70 27.923 1.956 -24.125 1.00 0.00 O ATOM 1323 CB THR B 70 30.819 1.646 -24.295 1.00 0.00 C ATOM 1324 OG1 THR B 70 31.202 2.586 -23.355 1.00 0.00 O ATOM 1325 CG2 THR B 70 32.050 0.901 -24.838 1.00 0.00 C ATOM 0 H THR B 70 31.285 3.951 -25.505 1.00 0.00 H new ATOM 0 HA THR B 70 29.770 1.607 -26.214 1.00 0.00 H new ATOM 0 HB THR B 70 30.180 0.900 -23.823 1.00 0.00 H new ATOM 0 HG1 THR B 70 31.729 2.151 -22.653 1.00 0.00 H new ATOM 0 HG21 THR B 70 32.599 0.454 -24.010 1.00 0.00 H new ATOM 0 HG22 THR B 70 31.728 0.118 -25.525 1.00 0.00 H new ATOM 0 HG23 THR B 70 32.697 1.602 -25.365 1.00 0.00 H new ATOM 1333 N ASP B 71 28.293 4.021 -24.688 1.00 0.00 N ATOM 1334 CA ASP B 71 26.990 4.456 -24.230 1.00 0.00 C ATOM 1335 C ASP B 71 25.731 4.032 -25.092 1.00 0.00 C ATOM 1336 O ASP B 71 25.764 4.025 -26.335 1.00 0.00 O ATOM 1337 CB ASP B 71 26.979 5.984 -24.040 1.00 0.00 C ATOM 1338 CG ASP B 71 27.757 6.475 -22.867 1.00 0.00 C ATOM 1339 OD1 ASP B 71 28.083 5.665 -21.904 1.00 0.00 O ATOM 1340 OD2 ASP B 71 28.238 7.645 -22.803 1.00 0.00 O ATOM 0 H ASP B 71 28.908 4.790 -24.955 1.00 0.00 H new ATOM 0 HA ASP B 71 26.866 3.916 -23.291 1.00 0.00 H new ATOM 0 HB2 ASP B 71 27.375 6.451 -24.942 1.00 0.00 H new ATOM 0 HB3 ASP B 71 25.946 6.316 -23.937 1.00 0.00 H new ATOM 1345 N THR B 72 24.553 3.730 -24.561 1.00 0.00 N ATOM 1346 CA THR B 72 23.314 3.265 -25.183 1.00 0.00 C ATOM 1347 C THR B 72 22.150 4.005 -24.530 1.00 0.00 C ATOM 1348 O THR B 72 22.275 4.584 -23.427 1.00 0.00 O ATOM 1349 CB THR B 72 23.054 1.707 -25.026 1.00 0.00 C ATOM 1350 OG1 THR B 72 22.669 1.447 -23.704 1.00 0.00 O ATOM 1351 CG2 THR B 72 24.295 0.898 -25.260 1.00 0.00 C ATOM 0 H THR B 72 24.426 3.816 -23.553 1.00 0.00 H new ATOM 0 HA THR B 72 23.403 3.465 -26.251 1.00 0.00 H new ATOM 0 HB THR B 72 22.293 1.435 -25.757 1.00 0.00 H new ATOM 0 HG1 THR B 72 22.504 0.487 -23.594 1.00 0.00 H new ATOM 0 HG21 THR B 72 24.067 -0.161 -25.141 1.00 0.00 H new ATOM 0 HG22 THR B 72 24.662 1.079 -26.270 1.00 0.00 H new ATOM 0 HG23 THR B 72 25.059 1.187 -24.539 1.00 0.00 H new ATOM 1359 N PRO B 73 20.957 4.079 -25.184 1.00 0.00 N ATOM 1360 CA PRO B 73 19.726 4.696 -24.687 1.00 0.00 C ATOM 1361 C PRO B 73 19.361 4.164 -23.283 1.00 0.00 C ATOM 1362 O PRO B 73 19.000 4.960 -22.397 1.00 0.00 O ATOM 1363 CB PRO B 73 18.644 4.237 -25.694 1.00 0.00 C ATOM 1364 CG PRO B 73 19.362 3.880 -26.973 1.00 0.00 C ATOM 1365 CD PRO B 73 20.753 3.466 -26.477 1.00 0.00 C ATOM 0 HA PRO B 73 19.822 5.779 -24.604 1.00 0.00 H new ATOM 0 HB2 PRO B 73 18.095 3.379 -25.307 1.00 0.00 H new ATOM 0 HB3 PRO B 73 17.916 5.030 -25.868 1.00 0.00 H new ATOM 0 HG2 PRO B 73 18.864 3.069 -27.504 1.00 0.00 H new ATOM 0 HG3 PRO B 73 19.412 4.726 -27.659 1.00 0.00 H new ATOM 0 HD2 PRO B 73 20.825 2.381 -26.402 1.00 0.00 H new ATOM 0 HD3 PRO B 73 21.522 3.789 -27.179 1.00 0.00 H new ATOM 1373 N ALA B 74 19.563 2.870 -22.963 1.00 0.00 N ATOM 1374 CA ALA B 74 19.468 2.308 -21.629 1.00 0.00 C ATOM 1375 C ALA B 74 20.552 2.885 -20.632 1.00 0.00 C ATOM 1376 O ALA B 74 20.138 3.099 -19.490 1.00 0.00 O ATOM 1377 CB ALA B 74 19.587 0.774 -21.767 1.00 0.00 C ATOM 0 H ALA B 74 19.806 2.172 -23.666 1.00 0.00 H new ATOM 0 HA ALA B 74 18.510 2.587 -21.191 1.00 0.00 H new ATOM 0 HB1 ALA B 74 19.520 0.314 -20.781 1.00 0.00 H new ATOM 0 HB2 ALA B 74 18.779 0.402 -22.397 1.00 0.00 H new ATOM 0 HB3 ALA B 74 20.546 0.523 -22.220 1.00 0.00 H new ATOM 1383 N GLN B 75 21.794 3.061 -21.059 1.00 0.00 N ATOM 1384 CA GLN B 75 22.843 3.529 -20.189 1.00 0.00 C ATOM 1385 C GLN B 75 22.519 4.950 -19.672 1.00 0.00 C ATOM 1386 O GLN B 75 22.876 5.330 -18.600 1.00 0.00 O ATOM 1387 CB GLN B 75 24.305 3.161 -20.720 1.00 0.00 C ATOM 1388 CG GLN B 75 25.520 4.008 -20.152 1.00 0.00 C ATOM 1389 CD GLN B 75 25.630 3.892 -18.615 1.00 0.00 C ATOM 1390 OE1 GLN B 75 25.369 2.846 -18.001 1.00 0.00 O ATOM 1391 NE2 GLN B 75 26.119 4.926 -17.949 1.00 0.00 N ATOM 0 H GLN B 75 22.094 2.882 -22.017 1.00 0.00 H new ATOM 0 HA GLN B 75 22.878 2.965 -19.257 1.00 0.00 H new ATOM 0 HB2 GLN B 75 24.491 2.111 -20.495 1.00 0.00 H new ATOM 0 HB3 GLN B 75 24.304 3.259 -21.806 1.00 0.00 H new ATOM 0 HG2 GLN B 75 26.448 3.665 -20.610 1.00 0.00 H new ATOM 0 HG3 GLN B 75 25.395 5.055 -20.430 1.00 0.00 H new ATOM 0 HE21 GLN B 75 26.338 5.792 -18.441 1.00 0.00 H new ATOM 0 HE22 GLN B 75 26.277 4.857 -16.944 1.00 0.00 H new ATOM 1400 N LEU B 76 21.810 5.714 -20.533 1.00 0.00 N ATOM 1401 CA LEU B 76 21.581 7.199 -20.150 1.00 0.00 C ATOM 1402 C LEU B 76 20.088 7.507 -20.012 1.00 0.00 C ATOM 1403 O LEU B 76 19.692 8.621 -20.126 1.00 0.00 O ATOM 1404 CB LEU B 76 22.290 8.050 -21.224 1.00 0.00 C ATOM 1405 CG LEU B 76 23.792 7.894 -21.634 1.00 0.00 C ATOM 1406 CD1 LEU B 76 24.183 8.874 -22.760 1.00 0.00 C ATOM 1407 CD2 LEU B 76 24.689 8.171 -20.419 1.00 0.00 C ATOM 0 H LEU B 76 21.407 5.406 -21.418 1.00 0.00 H new ATOM 0 HA LEU B 76 22.003 7.434 -19.173 1.00 0.00 H new ATOM 0 HB2 LEU B 76 21.713 7.921 -22.140 1.00 0.00 H new ATOM 0 HB3 LEU B 76 22.169 9.088 -20.914 1.00 0.00 H new ATOM 0 HG LEU B 76 23.928 6.874 -21.995 1.00 0.00 H new ATOM 0 HD11 LEU B 76 25.233 8.734 -23.016 1.00 0.00 H new ATOM 0 HD12 LEU B 76 23.567 8.683 -23.639 1.00 0.00 H new ATOM 0 HD13 LEU B 76 24.025 9.898 -22.422 1.00 0.00 H new ATOM 0 HD21 LEU B 76 25.735 8.062 -20.706 1.00 0.00 H new ATOM 0 HD22 LEU B 76 24.515 9.186 -20.062 1.00 0.00 H new ATOM 0 HD23 LEU B 76 24.455 7.462 -19.625 1.00 0.00 H new ATOM 1419 N GLU B 77 19.216 6.543 -19.739 1.00 0.00 N ATOM 1420 CA GLU B 77 17.822 6.692 -19.246 1.00 0.00 C ATOM 1421 C GLU B 77 16.792 7.316 -20.188 1.00 0.00 C ATOM 1422 O GLU B 77 15.822 7.935 -19.784 1.00 0.00 O ATOM 1423 CB GLU B 77 17.771 7.220 -17.848 1.00 0.00 C ATOM 1424 CG GLU B 77 18.813 6.643 -16.915 1.00 0.00 C ATOM 1425 CD GLU B 77 18.639 5.182 -16.584 1.00 0.00 C ATOM 1426 OE1 GLU B 77 17.581 4.554 -16.753 1.00 0.00 O ATOM 1427 OE2 GLU B 77 19.630 4.674 -15.986 1.00 0.00 O ATOM 0 H GLU B 77 19.467 5.562 -19.860 1.00 0.00 H new ATOM 0 HA GLU B 77 17.463 5.663 -19.226 1.00 0.00 H new ATOM 0 HB2 GLU B 77 17.891 8.303 -17.879 1.00 0.00 H new ATOM 0 HB3 GLU B 77 16.782 7.020 -17.435 1.00 0.00 H new ATOM 0 HG2 GLU B 77 19.797 6.783 -17.363 1.00 0.00 H new ATOM 0 HG3 GLU B 77 18.802 7.213 -15.986 1.00 0.00 H new ATOM 1434 N MET B 78 16.983 7.137 -21.469 1.00 0.00 N ATOM 1435 CA MET B 78 16.312 7.860 -22.500 1.00 0.00 C ATOM 1436 C MET B 78 14.916 7.367 -22.777 1.00 0.00 C ATOM 1437 O MET B 78 14.529 6.231 -22.505 1.00 0.00 O ATOM 1438 CB MET B 78 17.234 7.819 -23.712 1.00 0.00 C ATOM 1439 CG MET B 78 18.717 8.358 -23.472 1.00 0.00 C ATOM 1440 SD MET B 78 19.745 8.397 -24.994 1.00 0.00 S ATOM 1441 CE MET B 78 19.625 10.092 -25.609 1.00 0.00 C ATOM 0 H MET B 78 17.643 6.449 -21.831 1.00 0.00 H new ATOM 0 HA MET B 78 16.134 8.890 -22.192 1.00 0.00 H new ATOM 0 HB2 MET B 78 17.294 6.790 -24.065 1.00 0.00 H new ATOM 0 HB3 MET B 78 16.779 8.404 -24.511 1.00 0.00 H new ATOM 0 HG2 MET B 78 18.665 9.363 -23.053 1.00 0.00 H new ATOM 0 HG3 MET B 78 19.207 7.728 -22.729 1.00 0.00 H new ATOM 0 HE1 MET B 78 19.794 10.101 -26.686 1.00 0.00 H new ATOM 0 HE2 MET B 78 18.632 10.488 -25.394 1.00 0.00 H new ATOM 0 HE3 MET B 78 20.376 10.711 -25.119 1.00 0.00 H new ATOM 1451 N GLU B 79 14.098 8.260 -23.311 1.00 0.00 N ATOM 1452 CA GLU B 79 12.707 8.017 -23.728 1.00 0.00 C ATOM 1453 C GLU B 79 12.473 8.473 -25.236 1.00 0.00 C ATOM 1454 O GLU B 79 13.291 9.203 -25.856 1.00 0.00 O ATOM 1455 CB GLU B 79 11.743 8.955 -22.893 1.00 0.00 C ATOM 1456 CG GLU B 79 11.672 8.481 -21.458 1.00 0.00 C ATOM 1457 CD GLU B 79 11.416 6.949 -21.227 1.00 0.00 C ATOM 1458 OE1 GLU B 79 10.693 6.292 -22.089 1.00 0.00 O ATOM 1459 OE2 GLU B 79 11.749 6.402 -20.147 1.00 0.00 O ATOM 0 H GLU B 79 14.390 9.223 -23.478 1.00 0.00 H new ATOM 0 HA GLU B 79 12.514 6.953 -23.589 1.00 0.00 H new ATOM 0 HB2 GLU B 79 12.104 9.983 -22.927 1.00 0.00 H new ATOM 0 HB3 GLU B 79 10.747 8.952 -23.335 1.00 0.00 H new ATOM 0 HG2 GLU B 79 12.608 8.746 -20.967 1.00 0.00 H new ATOM 0 HG3 GLU B 79 10.880 9.037 -20.956 1.00 0.00 H new ATOM 1466 N ASP B 80 11.316 8.199 -25.781 1.00 0.00 N ATOM 1467 CA ASP B 80 10.833 8.762 -27.029 1.00 0.00 C ATOM 1468 C ASP B 80 10.841 10.288 -27.016 1.00 0.00 C ATOM 1469 O ASP B 80 10.442 10.952 -26.101 1.00 0.00 O ATOM 1470 CB ASP B 80 9.486 8.255 -27.466 1.00 0.00 C ATOM 1471 CG ASP B 80 9.382 6.691 -27.681 1.00 0.00 C ATOM 1472 OD1 ASP B 80 10.442 6.012 -27.726 1.00 0.00 O ATOM 1473 OD2 ASP B 80 8.292 6.164 -27.997 1.00 0.00 O ATOM 0 H ASP B 80 10.653 7.552 -25.355 1.00 0.00 H new ATOM 0 HA ASP B 80 11.549 8.409 -27.771 1.00 0.00 H new ATOM 0 HB2 ASP B 80 8.747 8.551 -26.722 1.00 0.00 H new ATOM 0 HB3 ASP B 80 9.216 8.751 -28.398 1.00 0.00 H new ATOM 1478 N GLU B 81 11.070 10.880 -28.161 1.00 0.00 N ATOM 1479 CA GLU B 81 11.270 12.335 -28.325 1.00 0.00 C ATOM 1480 C GLU B 81 12.461 12.979 -27.622 1.00 0.00 C ATOM 1481 O GLU B 81 12.611 14.224 -27.684 1.00 0.00 O ATOM 1482 CB GLU B 81 9.918 13.071 -28.202 1.00 0.00 C ATOM 1483 CG GLU B 81 9.038 13.006 -29.457 1.00 0.00 C ATOM 1484 CD GLU B 81 7.837 13.925 -29.276 1.00 0.00 C ATOM 1485 OE1 GLU B 81 7.110 13.823 -28.280 1.00 0.00 O ATOM 1486 OE2 GLU B 81 7.551 14.677 -30.242 1.00 0.00 O ATOM 0 H GLU B 81 11.128 10.367 -29.041 1.00 0.00 H new ATOM 0 HA GLU B 81 11.630 12.469 -29.345 1.00 0.00 H new ATOM 0 HB2 GLU B 81 9.364 12.648 -27.364 1.00 0.00 H new ATOM 0 HB3 GLU B 81 10.109 14.117 -27.962 1.00 0.00 H new ATOM 0 HG2 GLU B 81 9.612 13.306 -30.334 1.00 0.00 H new ATOM 0 HG3 GLU B 81 8.705 11.983 -29.629 1.00 0.00 H new ATOM 1493 N ASP B 82 13.307 12.212 -26.953 1.00 0.00 N ATOM 1494 CA ASP B 82 14.509 12.787 -26.322 1.00 0.00 C ATOM 1495 C ASP B 82 15.548 13.078 -27.387 1.00 0.00 C ATOM 1496 O ASP B 82 15.623 12.333 -28.343 1.00 0.00 O ATOM 1497 CB ASP B 82 15.152 11.950 -25.146 1.00 0.00 C ATOM 1498 CG ASP B 82 14.422 11.807 -23.861 1.00 0.00 C ATOM 1499 OD1 ASP B 82 13.478 12.630 -23.620 1.00 0.00 O ATOM 1500 OD2 ASP B 82 14.840 11.043 -22.980 1.00 0.00 O ATOM 0 H ASP B 82 13.197 11.206 -26.828 1.00 0.00 H new ATOM 0 HA ASP B 82 14.162 13.700 -25.838 1.00 0.00 H new ATOM 0 HB2 ASP B 82 15.342 10.946 -25.526 1.00 0.00 H new ATOM 0 HB3 ASP B 82 16.122 12.395 -24.922 1.00 0.00 H new ATOM 1505 N THR B 83 16.334 14.150 -27.215 1.00 0.00 N ATOM 1506 CA THR B 83 17.028 14.809 -28.369 1.00 0.00 C ATOM 1507 C THR B 83 18.443 15.098 -27.929 1.00 0.00 C ATOM 1508 O THR B 83 18.790 15.798 -26.976 1.00 0.00 O ATOM 1509 CB THR B 83 16.281 16.180 -28.592 1.00 0.00 C ATOM 1510 OG1 THR B 83 14.943 15.848 -29.055 1.00 0.00 O ATOM 1511 CG2 THR B 83 16.904 17.087 -29.651 1.00 0.00 C ATOM 0 H THR B 83 16.514 14.586 -26.310 1.00 0.00 H new ATOM 0 HA THR B 83 17.027 14.199 -29.272 1.00 0.00 H new ATOM 0 HB THR B 83 16.323 16.726 -27.649 1.00 0.00 H new ATOM 0 HG1 THR B 83 14.436 15.437 -28.324 1.00 0.00 H new ATOM 0 HG21 THR B 83 16.321 18.005 -29.733 1.00 0.00 H new ATOM 0 HG22 THR B 83 17.927 17.331 -29.365 1.00 0.00 H new ATOM 0 HG23 THR B 83 16.909 16.574 -30.612 1.00 0.00 H new ATOM 1519 N ILE B 84 19.325 14.475 -28.649 1.00 0.00 N ATOM 1520 CA ILE B 84 20.799 14.630 -28.610 1.00 0.00 C ATOM 1521 C ILE B 84 21.215 15.996 -29.379 1.00 0.00 C ATOM 1522 O ILE B 84 20.803 16.204 -30.531 1.00 0.00 O ATOM 1523 CB ILE B 84 21.419 13.455 -29.440 1.00 0.00 C ATOM 1524 CG1 ILE B 84 21.228 12.169 -28.615 1.00 0.00 C ATOM 1525 CG2 ILE B 84 22.963 13.576 -29.753 1.00 0.00 C ATOM 1526 CD1 ILE B 84 21.103 10.958 -29.546 1.00 0.00 C ATOM 0 H ILE B 84 19.040 13.784 -29.343 1.00 0.00 H new ATOM 0 HA ILE B 84 21.142 14.642 -27.576 1.00 0.00 H new ATOM 0 HB ILE B 84 20.911 13.464 -30.404 1.00 0.00 H new ATOM 0 HG12 ILE B 84 22.073 12.032 -27.940 1.00 0.00 H new ATOM 0 HG13 ILE B 84 20.335 12.255 -27.996 1.00 0.00 H new ATOM 0 HG21 ILE B 84 23.286 12.710 -30.331 1.00 0.00 H new ATOM 0 HG22 ILE B 84 23.148 14.485 -30.326 1.00 0.00 H new ATOM 0 HG23 ILE B 84 23.522 13.617 -28.818 1.00 0.00 H new ATOM 0 HD11 ILE B 84 20.968 10.054 -28.951 1.00 0.00 H new ATOM 0 HD12 ILE B 84 20.244 11.091 -30.203 1.00 0.00 H new ATOM 0 HD13 ILE B 84 22.008 10.866 -30.146 1.00 0.00 H new ATOM 1538 N ASP B 85 22.045 16.794 -28.764 1.00 0.00 N ATOM 1539 CA ASP B 85 22.543 18.041 -29.365 1.00 0.00 C ATOM 1540 C ASP B 85 23.960 17.896 -29.934 1.00 0.00 C ATOM 1541 O ASP B 85 24.874 17.591 -29.236 1.00 0.00 O ATOM 1542 CB ASP B 85 22.428 19.234 -28.421 1.00 0.00 C ATOM 1543 CG ASP B 85 21.076 19.562 -28.012 1.00 0.00 C ATOM 1544 OD1 ASP B 85 20.149 19.863 -28.805 1.00 0.00 O ATOM 1545 OD2 ASP B 85 20.784 19.432 -26.811 1.00 0.00 O ATOM 0 H ASP B 85 22.407 16.613 -27.828 1.00 0.00 H new ATOM 0 HA ASP B 85 21.886 18.247 -30.210 1.00 0.00 H new ATOM 0 HB2 ASP B 85 23.022 19.032 -27.530 1.00 0.00 H new ATOM 0 HB3 ASP B 85 22.867 20.106 -28.906 1.00 0.00 H new ATOM 1550 N VAL B 86 24.091 18.229 -31.226 1.00 0.00 N ATOM 1551 CA VAL B 86 25.423 18.567 -31.938 1.00 0.00 C ATOM 1552 C VAL B 86 25.795 20.001 -31.728 1.00 0.00 C ATOM 1553 O VAL B 86 25.153 20.945 -32.124 1.00 0.00 O ATOM 1554 CB VAL B 86 25.342 18.219 -33.411 1.00 0.00 C ATOM 1555 CG1 VAL B 86 26.615 18.471 -34.130 1.00 0.00 C ATOM 1556 CG2 VAL B 86 24.921 16.740 -33.537 1.00 0.00 C ATOM 0 H VAL B 86 23.288 18.284 -31.853 1.00 0.00 H new ATOM 0 HA VAL B 86 26.214 17.960 -31.497 1.00 0.00 H new ATOM 0 HB VAL B 86 24.602 18.867 -33.881 1.00 0.00 H new ATOM 0 HG11 VAL B 86 26.499 18.204 -35.180 1.00 0.00 H new ATOM 0 HG12 VAL B 86 26.875 19.527 -34.051 1.00 0.00 H new ATOM 0 HG13 VAL B 86 27.408 17.868 -33.688 1.00 0.00 H new ATOM 0 HG21 VAL B 86 24.857 16.469 -34.591 1.00 0.00 H new ATOM 0 HG22 VAL B 86 25.660 16.108 -33.044 1.00 0.00 H new ATOM 0 HG23 VAL B 86 23.949 16.597 -33.065 1.00 0.00 H new ATOM 1566 N PHE B 87 26.989 20.139 -31.185 1.00 0.00 N ATOM 1567 CA PHE B 87 27.798 21.399 -31.112 1.00 0.00 C ATOM 1568 C PHE B 87 28.995 21.435 -32.058 1.00 0.00 C ATOM 1569 O PHE B 87 29.653 20.350 -32.290 1.00 0.00 O ATOM 1570 CB PHE B 87 28.203 21.554 -29.661 1.00 0.00 C ATOM 1571 CG PHE B 87 27.035 21.823 -28.759 1.00 0.00 C ATOM 1572 CD1 PHE B 87 26.329 20.750 -28.216 1.00 0.00 C ATOM 1573 CD2 PHE B 87 26.703 23.157 -28.488 1.00 0.00 C ATOM 1574 CE1 PHE B 87 25.237 21.087 -27.342 1.00 0.00 C ATOM 1575 CE2 PHE B 87 25.660 23.490 -27.597 1.00 0.00 C ATOM 1576 CZ PHE B 87 24.891 22.401 -27.102 1.00 0.00 C ATOM 0 H PHE B 87 27.470 19.350 -30.753 1.00 0.00 H new ATOM 0 HA PHE B 87 27.195 22.240 -31.453 1.00 0.00 H new ATOM 0 HB2 PHE B 87 28.710 20.647 -29.331 1.00 0.00 H new ATOM 0 HB3 PHE B 87 28.920 22.370 -29.573 1.00 0.00 H new ATOM 0 HD1 PHE B 87 26.587 19.725 -28.439 1.00 0.00 H new ATOM 0 HD2 PHE B 87 27.257 23.948 -28.971 1.00 0.00 H new ATOM 0 HE1 PHE B 87 24.677 20.296 -26.865 1.00 0.00 H new ATOM 0 HE2 PHE B 87 25.458 24.511 -27.308 1.00 0.00 H new ATOM 0 HZ PHE B 87 24.006 22.609 -26.519 1.00 0.00 H new ATOM 1586 N GLN B 88 29.307 22.660 -32.528 1.00 0.00 N ATOM 1587 CA GLN B 88 30.523 22.946 -33.242 1.00 0.00 C ATOM 1588 C GLN B 88 31.824 23.055 -32.453 1.00 0.00 C ATOM 1589 O GLN B 88 31.902 23.103 -31.264 1.00 0.00 O ATOM 1590 CB GLN B 88 30.308 24.138 -34.161 1.00 0.00 C ATOM 1591 CG GLN B 88 29.124 23.915 -35.163 1.00 0.00 C ATOM 1592 CD GLN B 88 29.272 24.745 -36.482 1.00 0.00 C ATOM 1593 OE1 GLN B 88 29.080 25.935 -36.599 1.00 0.00 O ATOM 1594 NE2 GLN B 88 29.440 23.915 -37.558 1.00 0.00 N ATOM 0 H GLN B 88 28.702 23.472 -32.410 1.00 0.00 H new ATOM 0 HA GLN B 88 30.709 22.034 -33.810 1.00 0.00 H new ATOM 0 HB2 GLN B 88 30.109 25.025 -33.560 1.00 0.00 H new ATOM 0 HB3 GLN B 88 31.223 24.331 -34.721 1.00 0.00 H new ATOM 0 HG2 GLN B 88 29.061 22.856 -35.412 1.00 0.00 H new ATOM 0 HG3 GLN B 88 28.187 24.184 -34.675 1.00 0.00 H new ATOM 0 HE21 GLN B 88 29.599 22.918 -37.413 1.00 0.00 H new ATOM 0 HE22 GLN B 88 29.406 24.294 -38.504 1.00 0.00 H new ATOM 1603 N GLN B 89 32.973 22.953 -33.131 1.00 0.00 N ATOM 1604 CA GLN B 89 34.283 23.246 -32.524 1.00 0.00 C ATOM 1605 C GLN B 89 34.920 24.330 -33.422 1.00 0.00 C ATOM 1606 O GLN B 89 34.608 24.383 -34.636 1.00 0.00 O ATOM 1607 CB GLN B 89 35.191 22.036 -32.309 1.00 0.00 C ATOM 1608 CG GLN B 89 34.618 21.090 -31.325 1.00 0.00 C ATOM 1609 CD GLN B 89 34.936 21.543 -29.897 1.00 0.00 C ATOM 1610 OE1 GLN B 89 35.967 21.203 -29.360 1.00 0.00 O ATOM 1611 NE2 GLN B 89 34.093 22.400 -29.323 1.00 0.00 N ATOM 0 H GLN B 89 33.025 22.667 -34.109 1.00 0.00 H new ATOM 0 HA GLN B 89 34.142 23.593 -31.500 1.00 0.00 H new ATOM 0 HB2 GLN B 89 35.346 21.524 -33.259 1.00 0.00 H new ATOM 0 HB3 GLN B 89 36.169 22.372 -31.964 1.00 0.00 H new ATOM 0 HG2 GLN B 89 33.538 21.025 -31.460 1.00 0.00 H new ATOM 0 HG3 GLN B 89 35.021 20.092 -31.494 1.00 0.00 H new ATOM 0 HE21 GLN B 89 33.232 22.667 -29.801 1.00 0.00 H new ATOM 0 HE22 GLN B 89 34.308 22.790 -28.405 1.00 0.00 H new