USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 57 GLN : amide:sc= -0.78 K(o=-0.67,f=-2.1) USER MOD Set 1.2: B 88 GLN : amide:sc= 0.106 K(o=-0.67,f=-2.2) USER MOD Set 2.1: B 21 LYS NZ :NH3+ 157:sc= 1.23 (180deg=-0.0388) USER MOD Set 2.2: B 31 GLN : amide:sc= 1.01 K(o=2.2,f=-6.3) USER MOD Single : B 17 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-1.8) USER MOD Single : B 19 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : B 25 GLN : amide:sc= 0.0274 K(o=0.027,f=-1.1) USER MOD Single : B 28 SER OG : rot -38:sc= 1.26 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= 0.128 K(o=0.13,f=-1.3) USER MOD Single : B 38 THR OG1 : rot 80:sc= 0.159 USER MOD Single : B 41 SER OG : rot 180:sc= -0.0748 USER MOD Single : B 42 LYS NZ :NH3+ -171:sc=-0.00838 (180deg=-0.0929) USER MOD Single : B 44 MET CE :methyl 171:sc= -0.0136 (180deg=-0.213) 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 -82:sc= 0.844 USER MOD Single : B 51 GLN : amide:sc= -0.0204 X(o=-0.02,f=-0.15) USER MOD Single : B 54 SER OG : rot 180:sc= 0.142 USER MOD Single : B 55 MET CE :methyl 160:sc= -0.203 (180deg=-0.791) USER MOD Single : B 65 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.85) USER MOD Single : B 68 ASN : amide:sc= 0.099! X(o=0.099!,f=-0.051) USER MOD Single : B 70 THR OG1 : rot 180:sc= 0 USER MOD Single : B 72 THR OG1 : rot -170:sc= 0.727 USER MOD Single : B 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 78 MET CE :methyl -106:sc= -3.09 (180deg=-4.23!) USER MOD Single : B 83 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= -0.525 X(o=-0.53,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 38 12.739 11.538 -45.762 1.00 0.00 N ATOM 23 CA ASP A 38 14.132 11.282 -45.325 1.00 0.00 C ATOM 24 C ASP A 38 14.601 11.587 -43.863 1.00 0.00 C ATOM 25 O ASP A 38 15.697 11.243 -43.420 1.00 0.00 O ATOM 26 CB ASP A 38 15.228 11.660 -46.325 1.00 0.00 C ATOM 27 CG ASP A 38 16.392 10.677 -46.332 1.00 0.00 C ATOM 28 OD1 ASP A 38 16.234 9.472 -45.980 1.00 0.00 O ATOM 29 OD2 ASP A 38 17.476 11.145 -46.708 1.00 0.00 O ATOM 0 HA ASP A 38 13.999 10.200 -45.300 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.798 11.712 -47.325 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.602 12.656 -46.087 1.00 0.00 H new ATOM 34 N ALA A 39 13.711 12.065 -43.054 1.00 0.00 N ATOM 35 CA ALA A 39 13.889 12.384 -41.642 1.00 0.00 C ATOM 36 C ALA A 39 14.088 11.207 -40.635 1.00 0.00 C ATOM 37 O ALA A 39 13.717 11.267 -39.485 1.00 0.00 O ATOM 38 CB ALA A 39 12.786 13.271 -41.189 1.00 0.00 C ATOM 0 H ALA A 39 12.762 12.264 -43.371 1.00 0.00 H new ATOM 0 HA ALA A 39 14.860 12.879 -41.618 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.920 13.509 -40.134 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.797 14.192 -41.772 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.831 12.764 -41.328 1.00 0.00 H new ATOM 44 N PHE A 40 14.566 10.109 -41.131 1.00 0.00 N ATOM 45 CA PHE A 40 14.401 8.718 -40.548 1.00 0.00 C ATOM 46 C PHE A 40 15.593 7.753 -40.900 1.00 0.00 C ATOM 47 O PHE A 40 16.070 7.721 -42.000 1.00 0.00 O ATOM 48 CB PHE A 40 13.051 8.187 -41.033 1.00 0.00 C ATOM 49 CG PHE A 40 12.312 7.282 -40.080 1.00 0.00 C ATOM 50 CD1 PHE A 40 12.647 5.897 -39.931 1.00 0.00 C ATOM 51 CD2 PHE A 40 11.171 7.779 -39.327 1.00 0.00 C ATOM 52 CE1 PHE A 40 11.992 5.087 -38.992 1.00 0.00 C ATOM 53 CE2 PHE A 40 10.479 6.964 -38.443 1.00 0.00 C ATOM 54 CZ PHE A 40 10.966 5.655 -38.172 1.00 0.00 C ATOM 0 H PHE A 40 15.114 10.105 -41.991 1.00 0.00 H new ATOM 0 HA PHE A 40 14.420 8.769 -39.459 1.00 0.00 H new ATOM 0 HB2 PHE A 40 12.411 9.038 -41.264 1.00 0.00 H new ATOM 0 HB3 PHE A 40 13.210 7.646 -41.966 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.419 5.469 -40.554 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.856 8.804 -39.459 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.259 4.046 -38.889 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.579 7.320 -37.965 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.561 5.089 -37.346 1.00 0.00 H new ATOM 64 N ILE A 41 16.022 7.026 -39.915 1.00 0.00 N ATOM 65 CA ILE A 41 17.184 6.127 -39.950 1.00 0.00 C ATOM 66 C ILE A 41 16.943 4.896 -39.002 1.00 0.00 C ATOM 67 O ILE A 41 16.578 5.214 -37.862 1.00 0.00 O ATOM 68 CB ILE A 41 18.512 6.843 -39.542 1.00 0.00 C ATOM 69 CG1 ILE A 41 19.003 8.133 -40.230 1.00 0.00 C ATOM 70 CG2 ILE A 41 19.624 5.804 -39.725 1.00 0.00 C ATOM 71 CD1 ILE A 41 18.396 9.467 -39.742 1.00 0.00 C ATOM 0 H ILE A 41 15.560 7.029 -39.005 1.00 0.00 H new ATOM 0 HA ILE A 41 17.294 5.793 -40.982 1.00 0.00 H new ATOM 0 HB ILE A 41 18.277 7.206 -38.541 1.00 0.00 H new ATOM 0 HG12 ILE A 41 20.085 8.190 -40.109 1.00 0.00 H new ATOM 0 HG13 ILE A 41 18.806 8.043 -41.298 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.583 6.246 -39.454 1.00 0.00 H new ATOM 0 HG22 ILE A 41 19.427 4.944 -39.085 1.00 0.00 H new ATOM 0 HG23 ILE A 41 19.654 5.482 -40.766 1.00 0.00 H new ATOM 0 HD11 ILE A 41 18.828 10.292 -40.309 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.316 9.451 -39.890 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.615 9.601 -38.683 1.00 0.00 H new ATOM 83 N VAL A 42 17.111 3.602 -39.392 1.00 0.00 N ATOM 84 CA VAL A 42 16.558 2.478 -38.544 1.00 0.00 C ATOM 85 C VAL A 42 17.740 1.553 -38.329 1.00 0.00 C ATOM 86 O VAL A 42 18.517 1.233 -39.254 1.00 0.00 O ATOM 87 CB VAL A 42 15.360 1.850 -39.241 1.00 0.00 C ATOM 88 CG1 VAL A 42 14.643 0.970 -38.231 1.00 0.00 C ATOM 89 CG2 VAL A 42 14.377 2.971 -39.635 1.00 0.00 C ATOM 0 H VAL A 42 17.596 3.308 -40.240 1.00 0.00 H new ATOM 0 HA VAL A 42 16.163 2.787 -37.576 1.00 0.00 H new ATOM 0 HB VAL A 42 15.684 1.285 -40.115 1.00 0.00 H new ATOM 0 HG11 VAL A 42 13.777 0.505 -38.703 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.323 0.195 -37.876 1.00 0.00 H new ATOM 0 HG13 VAL A 42 14.314 1.578 -37.388 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.512 2.537 -40.136 1.00 0.00 H new ATOM 0 HG22 VAL A 42 14.050 3.500 -38.740 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.873 3.670 -40.308 1.00 0.00 H new ATOM 99 N ILE A 43 18.063 1.088 -37.089 1.00 0.00 N ATOM 100 CA ILE A 43 19.368 0.494 -36.632 1.00 0.00 C ATOM 101 C ILE A 43 19.162 -0.570 -35.544 1.00 0.00 C ATOM 102 O ILE A 43 18.236 -0.502 -34.754 1.00 0.00 O ATOM 103 CB ILE A 43 20.432 1.582 -36.383 1.00 0.00 C ATOM 104 CG1 ILE A 43 20.939 2.375 -37.560 1.00 0.00 C ATOM 105 CG2 ILE A 43 21.710 0.839 -35.860 1.00 0.00 C ATOM 106 CD1 ILE A 43 21.708 3.690 -37.212 1.00 0.00 C ATOM 0 H ILE A 43 17.382 1.116 -36.330 1.00 0.00 H new ATOM 0 HA ILE A 43 19.812 -0.087 -37.440 1.00 0.00 H new ATOM 0 HB ILE A 43 19.932 2.290 -35.723 1.00 0.00 H new ATOM 0 HG12 ILE A 43 21.597 1.736 -38.148 1.00 0.00 H new ATOM 0 HG13 ILE A 43 20.091 2.630 -38.195 1.00 0.00 H new ATOM 0 HG21 ILE A 43 22.499 1.565 -35.666 1.00 0.00 H new ATOM 0 HG22 ILE A 43 21.471 0.309 -34.938 1.00 0.00 H new ATOM 0 HG23 ILE A 43 22.049 0.126 -36.611 1.00 0.00 H new ATOM 0 HD11 ILE A 43 22.027 4.179 -38.132 1.00 0.00 H new ATOM 0 HD12 ILE A 43 21.052 4.358 -36.654 1.00 0.00 H new ATOM 0 HD13 ILE A 43 22.582 3.451 -36.606 1.00 0.00 H new ATOM 439 N HIS B 17 10.535 -0.129 -30.210 1.00 0.00 N ATOM 440 CA HIS B 17 11.815 0.647 -30.294 1.00 0.00 C ATOM 441 C HIS B 17 11.783 1.806 -29.364 1.00 0.00 C ATOM 442 O HIS B 17 10.750 2.301 -28.981 1.00 0.00 O ATOM 443 CB HIS B 17 12.032 0.996 -31.811 1.00 0.00 C ATOM 444 CG HIS B 17 12.113 -0.125 -32.823 1.00 0.00 C ATOM 445 ND1 HIS B 17 11.082 -0.983 -33.182 1.00 0.00 N ATOM 446 CD2 HIS B 17 13.215 -0.479 -33.496 1.00 0.00 C ATOM 447 CE1 HIS B 17 11.527 -1.826 -34.111 1.00 0.00 C ATOM 448 NE2 HIS B 17 12.816 -1.541 -34.324 1.00 0.00 N ATOM 0 HA HIS B 17 12.682 0.077 -29.960 1.00 0.00 H new ATOM 0 HB2 HIS B 17 11.218 1.654 -32.116 1.00 0.00 H new ATOM 0 HB3 HIS B 17 12.954 1.573 -31.886 1.00 0.00 H new ATOM 0 HD2 HIS B 17 14.199 -0.042 -33.419 1.00 0.00 H new ATOM 0 HE1 HIS B 17 10.953 -2.598 -34.602 1.00 0.00 H new ATOM 0 HE2 HIS B 17 13.420 -2.023 -34.989 1.00 0.00 H new ATOM 456 N ILE B 18 12.955 2.407 -29.027 1.00 0.00 N ATOM 457 CA ILE B 18 13.198 3.773 -28.493 1.00 0.00 C ATOM 458 C ILE B 18 13.417 4.681 -29.686 1.00 0.00 C ATOM 459 O ILE B 18 14.262 4.402 -30.544 1.00 0.00 O ATOM 460 CB ILE B 18 14.268 3.846 -27.399 1.00 0.00 C ATOM 461 CG1 ILE B 18 14.288 5.187 -26.683 1.00 0.00 C ATOM 462 CG2 ILE B 18 15.671 3.551 -27.962 1.00 0.00 C ATOM 463 CD1 ILE B 18 15.309 5.350 -25.518 1.00 0.00 C ATOM 0 H ILE B 18 13.834 1.900 -29.132 1.00 0.00 H new ATOM 0 HA ILE B 18 12.327 4.122 -27.938 1.00 0.00 H new ATOM 0 HB ILE B 18 13.999 3.079 -26.673 1.00 0.00 H new ATOM 0 HG12 ILE B 18 14.490 5.963 -27.422 1.00 0.00 H new ATOM 0 HG13 ILE B 18 13.290 5.375 -26.288 1.00 0.00 H new ATOM 0 HG21 ILE B 18 16.405 3.611 -27.159 1.00 0.00 H new ATOM 0 HG22 ILE B 18 15.687 2.550 -28.394 1.00 0.00 H new ATOM 0 HG23 ILE B 18 15.915 4.282 -28.732 1.00 0.00 H new ATOM 0 HD11 ILE B 18 15.220 6.350 -25.094 1.00 0.00 H new ATOM 0 HD12 ILE B 18 15.102 4.609 -24.746 1.00 0.00 H new ATOM 0 HD13 ILE B 18 16.320 5.205 -25.898 1.00 0.00 H new ATOM 475 N ASN B 19 12.646 5.797 -29.859 1.00 0.00 N ATOM 476 CA ASN B 19 12.799 6.896 -30.852 1.00 0.00 C ATOM 477 C ASN B 19 13.498 8.104 -30.204 1.00 0.00 C ATOM 478 O ASN B 19 12.908 8.749 -29.346 1.00 0.00 O ATOM 479 CB ASN B 19 11.476 7.350 -31.476 1.00 0.00 C ATOM 480 CG ASN B 19 10.801 6.242 -32.257 1.00 0.00 C ATOM 481 OD1 ASN B 19 11.242 5.815 -33.328 1.00 0.00 O ATOM 482 ND2 ASN B 19 9.698 5.581 -31.774 1.00 0.00 N ATOM 0 H ASN B 19 11.838 5.960 -29.258 1.00 0.00 H new ATOM 0 HA ASN B 19 13.407 6.488 -31.660 1.00 0.00 H new ATOM 0 HB2 ASN B 19 10.806 7.698 -30.690 1.00 0.00 H new ATOM 0 HB3 ASN B 19 11.660 8.198 -32.136 1.00 0.00 H new ATOM 0 HD21 ASN B 19 9.304 4.798 -32.295 1.00 0.00 H new ATOM 0 HD22 ASN B 19 9.273 5.873 -30.894 1.00 0.00 H new ATOM 489 N LEU B 20 14.634 8.521 -30.823 1.00 0.00 N ATOM 490 CA LEU B 20 15.575 9.511 -30.401 1.00 0.00 C ATOM 491 C LEU B 20 15.752 10.522 -31.624 1.00 0.00 C ATOM 492 O LEU B 20 15.754 10.072 -32.814 1.00 0.00 O ATOM 493 CB LEU B 20 16.840 8.865 -29.752 1.00 0.00 C ATOM 494 CG LEU B 20 16.576 8.116 -28.402 1.00 0.00 C ATOM 495 CD1 LEU B 20 17.890 7.610 -27.761 1.00 0.00 C ATOM 496 CD2 LEU B 20 15.947 8.953 -27.213 1.00 0.00 C ATOM 0 H LEU B 20 14.911 8.112 -31.715 1.00 0.00 H new ATOM 0 HA LEU B 20 15.235 10.123 -29.566 1.00 0.00 H new ATOM 0 HB2 LEU B 20 17.276 8.162 -30.462 1.00 0.00 H new ATOM 0 HB3 LEU B 20 17.581 9.645 -29.579 1.00 0.00 H new ATOM 0 HG LEU B 20 15.878 7.352 -28.743 1.00 0.00 H new ATOM 0 HD11 LEU B 20 17.665 7.096 -26.827 1.00 0.00 H new ATOM 0 HD12 LEU B 20 18.386 6.920 -28.444 1.00 0.00 H new ATOM 0 HD13 LEU B 20 18.546 8.457 -27.560 1.00 0.00 H new ATOM 0 HD21 LEU B 20 15.819 8.309 -26.343 1.00 0.00 H new ATOM 0 HD22 LEU B 20 16.611 9.779 -26.959 1.00 0.00 H new ATOM 0 HD23 LEU B 20 14.978 9.347 -27.518 1.00 0.00 H new ATOM 508 N LYS B 21 15.814 11.850 -31.410 1.00 0.00 N ATOM 509 CA LYS B 21 16.267 12.792 -32.451 1.00 0.00 C ATOM 510 C LYS B 21 17.677 13.229 -32.303 1.00 0.00 C ATOM 511 O LYS B 21 18.305 13.129 -31.261 1.00 0.00 O ATOM 512 CB LYS B 21 15.358 14.047 -32.367 1.00 0.00 C ATOM 513 CG LYS B 21 13.899 13.756 -32.659 1.00 0.00 C ATOM 514 CD LYS B 21 13.031 15.038 -32.660 1.00 0.00 C ATOM 515 CE LYS B 21 11.541 14.767 -33.076 1.00 0.00 C ATOM 516 NZ LYS B 21 10.914 13.708 -32.244 1.00 0.00 N ATOM 0 H LYS B 21 15.557 12.294 -30.528 1.00 0.00 H new ATOM 0 HA LYS B 21 16.203 12.275 -33.408 1.00 0.00 H new ATOM 0 HB2 LYS B 21 15.442 14.481 -31.371 1.00 0.00 H new ATOM 0 HB3 LYS B 21 15.719 14.796 -33.072 1.00 0.00 H new ATOM 0 HG2 LYS B 21 13.816 13.264 -33.628 1.00 0.00 H new ATOM 0 HG3 LYS B 21 13.514 13.060 -31.914 1.00 0.00 H new ATOM 0 HD2 LYS B 21 13.050 15.484 -31.666 1.00 0.00 H new ATOM 0 HD3 LYS B 21 13.467 15.766 -33.344 1.00 0.00 H new ATOM 0 HE2 LYS B 21 10.966 15.688 -32.984 1.00 0.00 H new ATOM 0 HE3 LYS B 21 11.505 14.472 -34.125 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 9.880 13.819 -32.263 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 11.169 12.773 -32.622 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 11.253 13.790 -31.264 1.00 0.00 H new ATOM 530 N VAL B 22 18.325 13.806 -33.345 1.00 0.00 N ATOM 531 CA VAL B 22 19.668 14.328 -33.349 1.00 0.00 C ATOM 532 C VAL B 22 19.660 15.536 -34.250 1.00 0.00 C ATOM 533 O VAL B 22 19.194 15.516 -35.398 1.00 0.00 O ATOM 534 CB VAL B 22 20.677 13.272 -33.822 1.00 0.00 C ATOM 535 CG1 VAL B 22 22.122 13.709 -33.710 1.00 0.00 C ATOM 536 CG2 VAL B 22 20.561 11.901 -33.124 1.00 0.00 C ATOM 0 H VAL B 22 17.873 13.915 -34.253 1.00 0.00 H new ATOM 0 HA VAL B 22 19.980 14.605 -32.342 1.00 0.00 H new ATOM 0 HB VAL B 22 20.398 13.162 -34.870 1.00 0.00 H new ATOM 0 HG11 VAL B 22 22.773 12.909 -34.063 1.00 0.00 H new ATOM 0 HG12 VAL B 22 22.281 14.600 -34.317 1.00 0.00 H new ATOM 0 HG13 VAL B 22 22.355 13.933 -32.669 1.00 0.00 H new ATOM 0 HG21 VAL B 22 21.315 11.223 -33.525 1.00 0.00 H new ATOM 0 HG22 VAL B 22 20.717 12.024 -32.052 1.00 0.00 H new ATOM 0 HG23 VAL B 22 19.569 11.486 -33.301 1.00 0.00 H new ATOM 546 N ALA B 23 20.161 16.668 -33.682 1.00 0.00 N ATOM 547 CA ALA B 23 19.764 17.997 -34.025 1.00 0.00 C ATOM 548 C ALA B 23 20.975 19.010 -34.102 1.00 0.00 C ATOM 549 O ALA B 23 21.608 19.263 -33.105 1.00 0.00 O ATOM 550 CB ALA B 23 18.836 18.510 -32.917 1.00 0.00 C ATOM 0 H ALA B 23 20.874 16.643 -32.953 1.00 0.00 H new ATOM 0 HA ALA B 23 19.293 17.948 -35.007 1.00 0.00 H new ATOM 0 HB1 ALA B 23 18.516 19.525 -33.152 1.00 0.00 H new ATOM 0 HB2 ALA B 23 17.963 17.862 -32.845 1.00 0.00 H new ATOM 0 HB3 ALA B 23 19.369 18.508 -31.966 1.00 0.00 H new ATOM 556 N GLY B 24 21.168 19.639 -35.244 1.00 0.00 N ATOM 557 CA GLY B 24 22.191 20.633 -35.585 1.00 0.00 C ATOM 558 C GLY B 24 21.575 21.930 -35.053 1.00 0.00 C ATOM 559 O GLY B 24 20.433 22.003 -34.568 1.00 0.00 O ATOM 0 H GLY B 24 20.558 19.456 -36.040 1.00 0.00 H new ATOM 0 HA2 GLY B 24 23.147 20.412 -35.110 1.00 0.00 H new ATOM 0 HA3 GLY B 24 22.371 20.679 -36.659 1.00 0.00 H new ATOM 563 N GLN B 25 22.420 22.981 -35.036 1.00 0.00 N ATOM 564 CA GLN B 25 22.117 24.298 -34.383 1.00 0.00 C ATOM 565 C GLN B 25 21.336 25.262 -35.250 1.00 0.00 C ATOM 566 O GLN B 25 20.839 26.301 -34.794 1.00 0.00 O ATOM 567 CB GLN B 25 23.380 24.867 -33.745 1.00 0.00 C ATOM 568 CG GLN B 25 24.127 23.852 -32.879 1.00 0.00 C ATOM 569 CD GLN B 25 23.290 23.394 -31.649 1.00 0.00 C ATOM 570 OE1 GLN B 25 22.553 24.234 -31.124 1.00 0.00 O ATOM 571 NE2 GLN B 25 23.336 22.171 -31.280 1.00 0.00 N ATOM 0 H GLN B 25 23.341 22.953 -35.474 1.00 0.00 H new ATOM 0 HA GLN B 25 21.411 24.116 -33.573 1.00 0.00 H new ATOM 0 HB2 GLN B 25 24.046 25.225 -34.530 1.00 0.00 H new ATOM 0 HB3 GLN B 25 23.114 25.730 -33.134 1.00 0.00 H new ATOM 0 HG2 GLN B 25 24.385 22.983 -33.484 1.00 0.00 H new ATOM 0 HG3 GLN B 25 25.064 24.291 -32.535 1.00 0.00 H new ATOM 0 HE21 GLN B 25 23.965 21.520 -31.750 1.00 0.00 H new ATOM 0 HE22 GLN B 25 22.744 21.846 -30.515 1.00 0.00 H new ATOM 580 N ASP B 26 21.115 24.951 -36.507 1.00 0.00 N ATOM 581 CA ASP B 26 20.102 25.594 -37.310 1.00 0.00 C ATOM 582 C ASP B 26 18.643 25.263 -36.992 1.00 0.00 C ATOM 583 O ASP B 26 17.743 25.805 -37.635 1.00 0.00 O ATOM 584 CB ASP B 26 20.503 25.429 -38.752 1.00 0.00 C ATOM 585 CG ASP B 26 20.289 24.037 -39.372 1.00 0.00 C ATOM 586 OD1 ASP B 26 20.362 23.025 -38.636 1.00 0.00 O ATOM 587 OD2 ASP B 26 20.113 23.933 -40.572 1.00 0.00 O ATOM 0 H ASP B 26 21.642 24.234 -37.006 1.00 0.00 H new ATOM 0 HA ASP B 26 20.083 26.651 -37.045 1.00 0.00 H new ATOM 0 HB2 ASP B 26 19.947 26.155 -39.345 1.00 0.00 H new ATOM 0 HB3 ASP B 26 21.559 25.684 -38.843 1.00 0.00 H new ATOM 592 N GLY B 27 18.432 24.198 -36.194 1.00 0.00 N ATOM 593 CA GLY B 27 17.155 23.397 -36.053 1.00 0.00 C ATOM 594 C GLY B 27 16.713 22.462 -37.205 1.00 0.00 C ATOM 595 O GLY B 27 15.559 21.966 -37.228 1.00 0.00 O ATOM 0 H GLY B 27 19.172 23.838 -35.591 1.00 0.00 H new ATOM 0 HA2 GLY B 27 17.249 22.787 -35.155 1.00 0.00 H new ATOM 0 HA3 GLY B 27 16.344 24.103 -35.875 1.00 0.00 H new ATOM 599 N SER B 28 17.654 22.100 -38.052 1.00 0.00 N ATOM 600 CA SER B 28 17.516 20.875 -38.954 1.00 0.00 C ATOM 601 C SER B 28 17.892 19.607 -38.251 1.00 0.00 C ATOM 602 O SER B 28 18.885 19.499 -37.531 1.00 0.00 O ATOM 603 CB SER B 28 18.298 21.004 -40.265 1.00 0.00 C ATOM 604 OG SER B 28 19.723 20.956 -40.084 1.00 0.00 O ATOM 0 H SER B 28 18.533 22.604 -38.167 1.00 0.00 H new ATOM 0 HA SER B 28 16.457 20.826 -39.208 1.00 0.00 H new ATOM 0 HB2 SER B 28 17.997 20.203 -40.940 1.00 0.00 H new ATOM 0 HB3 SER B 28 18.032 21.944 -40.748 1.00 0.00 H new ATOM 0 HG SER B 28 19.965 21.436 -39.265 1.00 0.00 H new ATOM 610 N VAL B 29 17.002 18.604 -38.313 1.00 0.00 N ATOM 611 CA VAL B 29 16.916 17.507 -37.292 1.00 0.00 C ATOM 612 C VAL B 29 16.461 16.230 -37.967 1.00 0.00 C ATOM 613 O VAL B 29 15.545 16.183 -38.807 1.00 0.00 O ATOM 614 CB VAL B 29 16.091 17.912 -36.029 1.00 0.00 C ATOM 615 CG1 VAL B 29 16.231 16.902 -34.949 1.00 0.00 C ATOM 616 CG2 VAL B 29 16.497 19.207 -35.364 1.00 0.00 C ATOM 0 H VAL B 29 16.317 18.516 -39.063 1.00 0.00 H new ATOM 0 HA VAL B 29 17.909 17.318 -36.884 1.00 0.00 H new ATOM 0 HB VAL B 29 15.083 18.005 -36.434 1.00 0.00 H new ATOM 0 HG11 VAL B 29 15.646 17.212 -34.083 1.00 0.00 H new ATOM 0 HG12 VAL B 29 15.870 15.937 -35.305 1.00 0.00 H new ATOM 0 HG13 VAL B 29 17.280 16.815 -34.666 1.00 0.00 H new ATOM 0 HG21 VAL B 29 15.858 19.388 -34.500 1.00 0.00 H new ATOM 0 HG22 VAL B 29 17.535 19.139 -35.040 1.00 0.00 H new ATOM 0 HG23 VAL B 29 16.391 20.029 -36.072 1.00 0.00 H new ATOM 626 N VAL B 30 17.201 15.174 -37.652 1.00 0.00 N ATOM 627 CA VAL B 30 16.889 13.818 -38.116 1.00 0.00 C ATOM 628 C VAL B 30 16.446 12.938 -36.934 1.00 0.00 C ATOM 629 O VAL B 30 16.719 13.246 -35.776 1.00 0.00 O ATOM 630 CB VAL B 30 18.015 13.012 -38.767 1.00 0.00 C ATOM 631 CG1 VAL B 30 18.272 13.501 -40.163 1.00 0.00 C ATOM 632 CG2 VAL B 30 19.361 12.938 -38.060 1.00 0.00 C ATOM 0 H VAL B 30 18.035 15.228 -37.068 1.00 0.00 H new ATOM 0 HA VAL B 30 16.130 14.018 -38.873 1.00 0.00 H new ATOM 0 HB VAL B 30 17.613 12.000 -38.717 1.00 0.00 H new ATOM 0 HG11 VAL B 30 19.076 12.917 -40.611 1.00 0.00 H new ATOM 0 HG12 VAL B 30 17.367 13.390 -40.760 1.00 0.00 H new ATOM 0 HG13 VAL B 30 18.560 14.552 -40.133 1.00 0.00 H new ATOM 0 HG21 VAL B 30 20.049 12.331 -38.649 1.00 0.00 H new ATOM 0 HG22 VAL B 30 19.769 13.943 -37.948 1.00 0.00 H new ATOM 0 HG23 VAL B 30 19.231 12.487 -37.076 1.00 0.00 H new ATOM 642 N GLN B 31 15.828 11.785 -37.263 1.00 0.00 N ATOM 643 CA GLN B 31 15.273 10.889 -36.208 1.00 0.00 C ATOM 644 C GLN B 31 15.762 9.430 -36.440 1.00 0.00 C ATOM 645 O GLN B 31 15.911 8.935 -37.559 1.00 0.00 O ATOM 646 CB GLN B 31 13.720 11.043 -36.037 1.00 0.00 C ATOM 647 CG GLN B 31 13.143 10.236 -34.850 1.00 0.00 C ATOM 648 CD GLN B 31 11.706 10.612 -34.615 1.00 0.00 C ATOM 649 OE1 GLN B 31 11.374 11.642 -33.952 1.00 0.00 O ATOM 650 NE2 GLN B 31 10.712 9.954 -35.138 1.00 0.00 N ATOM 0 H GLN B 31 15.699 11.453 -38.219 1.00 0.00 H new ATOM 0 HA GLN B 31 15.665 11.198 -35.239 1.00 0.00 H new ATOM 0 HB2 GLN B 31 13.481 12.097 -35.898 1.00 0.00 H new ATOM 0 HB3 GLN B 31 13.229 10.723 -36.956 1.00 0.00 H new ATOM 0 HG2 GLN B 31 13.218 9.168 -35.056 1.00 0.00 H new ATOM 0 HG3 GLN B 31 13.729 10.429 -33.951 1.00 0.00 H new ATOM 0 HE21 GLN B 31 10.890 9.113 -35.687 1.00 0.00 H new ATOM 0 HE22 GLN B 31 9.755 10.279 -34.999 1.00 0.00 H new ATOM 659 N PHE B 32 16.149 8.832 -35.317 1.00 0.00 N ATOM 660 CA PHE B 32 16.708 7.523 -35.164 1.00 0.00 C ATOM 661 C PHE B 32 15.843 6.593 -34.220 1.00 0.00 C ATOM 662 O PHE B 32 15.604 6.855 -33.088 1.00 0.00 O ATOM 663 CB PHE B 32 18.119 7.496 -34.566 1.00 0.00 C ATOM 664 CG PHE B 32 19.249 7.987 -35.386 1.00 0.00 C ATOM 665 CD1 PHE B 32 19.747 9.311 -35.352 1.00 0.00 C ATOM 666 CD2 PHE B 32 19.974 7.012 -36.118 1.00 0.00 C ATOM 667 CE1 PHE B 32 20.874 9.639 -36.176 1.00 0.00 C ATOM 668 CE2 PHE B 32 21.112 7.346 -36.858 1.00 0.00 C ATOM 669 CZ PHE B 32 21.575 8.684 -36.945 1.00 0.00 C ATOM 0 H PHE B 32 16.065 9.308 -34.419 1.00 0.00 H new ATOM 0 HA PHE B 32 16.727 7.162 -36.192 1.00 0.00 H new ATOM 0 HB2 PHE B 32 18.099 8.081 -33.647 1.00 0.00 H new ATOM 0 HB3 PHE B 32 18.339 6.466 -34.284 1.00 0.00 H new ATOM 0 HD1 PHE B 32 19.289 10.057 -34.720 1.00 0.00 H new ATOM 0 HD2 PHE B 32 19.638 5.986 -36.103 1.00 0.00 H new ATOM 0 HE1 PHE B 32 21.203 10.667 -36.210 1.00 0.00 H new ATOM 0 HE2 PHE B 32 21.652 6.567 -37.376 1.00 0.00 H new ATOM 0 HZ PHE B 32 22.416 8.957 -37.565 1.00 0.00 H new ATOM 679 N LYS B 33 15.424 5.462 -34.819 1.00 0.00 N ATOM 680 CA LYS B 33 14.562 4.433 -34.199 1.00 0.00 C ATOM 681 C LYS B 33 15.354 3.131 -33.947 1.00 0.00 C ATOM 682 O LYS B 33 15.810 2.509 -34.902 1.00 0.00 O ATOM 683 CB LYS B 33 13.372 4.112 -35.126 1.00 0.00 C ATOM 684 CG LYS B 33 12.559 3.024 -34.510 1.00 0.00 C ATOM 685 CD LYS B 33 11.287 2.832 -35.318 1.00 0.00 C ATOM 686 CE LYS B 33 10.594 1.521 -35.100 1.00 0.00 C ATOM 687 NZ LYS B 33 9.333 1.449 -35.938 1.00 0.00 N ATOM 0 H LYS B 33 15.683 5.230 -35.778 1.00 0.00 H new ATOM 0 HA LYS B 33 14.203 4.827 -33.248 1.00 0.00 H new ATOM 0 HB2 LYS B 33 12.760 5.001 -35.275 1.00 0.00 H new ATOM 0 HB3 LYS B 33 13.731 3.804 -36.108 1.00 0.00 H new ATOM 0 HG2 LYS B 33 13.131 2.097 -34.484 1.00 0.00 H new ATOM 0 HG3 LYS B 33 12.314 3.276 -33.478 1.00 0.00 H new ATOM 0 HD2 LYS B 33 10.594 3.638 -35.075 1.00 0.00 H new ATOM 0 HD3 LYS B 33 11.528 2.928 -36.377 1.00 0.00 H new ATOM 0 HE2 LYS B 33 11.261 0.700 -35.363 1.00 0.00 H new ATOM 0 HE3 LYS B 33 10.345 1.404 -34.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 8.862 0.536 -35.778 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 8.692 2.222 -35.667 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 9.579 1.540 -36.944 1.00 0.00 H new ATOM 701 N ILE B 34 15.523 2.779 -32.678 1.00 0.00 N ATOM 702 CA ILE B 34 16.571 1.800 -32.288 1.00 0.00 C ATOM 703 C ILE B 34 16.142 0.913 -31.069 1.00 0.00 C ATOM 704 O ILE B 34 15.094 1.166 -30.490 1.00 0.00 O ATOM 705 CB ILE B 34 17.835 2.617 -32.120 1.00 0.00 C ATOM 706 CG1 ILE B 34 17.692 3.734 -31.052 1.00 0.00 C ATOM 707 CG2 ILE B 34 18.491 3.079 -33.447 1.00 0.00 C ATOM 708 CD1 ILE B 34 18.957 4.189 -30.284 1.00 0.00 C ATOM 0 H ILE B 34 14.967 3.140 -31.903 1.00 0.00 H new ATOM 0 HA ILE B 34 16.745 1.036 -33.045 1.00 0.00 H new ATOM 0 HB ILE B 34 18.569 1.921 -31.714 1.00 0.00 H new ATOM 0 HG12 ILE B 34 17.270 4.610 -31.544 1.00 0.00 H new ATOM 0 HG13 ILE B 34 16.961 3.398 -30.317 1.00 0.00 H new ATOM 0 HG21 ILE B 34 19.389 3.657 -33.227 1.00 0.00 H new ATOM 0 HG22 ILE B 34 18.758 2.207 -34.044 1.00 0.00 H new ATOM 0 HG23 ILE B 34 17.788 3.699 -34.004 1.00 0.00 H new ATOM 0 HD11 ILE B 34 18.690 4.973 -29.576 1.00 0.00 H new ATOM 0 HD12 ILE B 34 19.380 3.341 -29.744 1.00 0.00 H new ATOM 0 HD13 ILE B 34 19.693 4.573 -30.990 1.00 0.00 H new ATOM 720 N LYS B 35 16.867 -0.226 -30.775 1.00 0.00 N ATOM 721 CA LYS B 35 16.664 -0.974 -29.547 1.00 0.00 C ATOM 722 C LYS B 35 17.383 -0.281 -28.399 1.00 0.00 C ATOM 723 O LYS B 35 18.460 0.207 -28.551 1.00 0.00 O ATOM 724 CB LYS B 35 17.086 -2.458 -29.774 1.00 0.00 C ATOM 725 CG LYS B 35 16.150 -3.228 -30.742 1.00 0.00 C ATOM 726 CD LYS B 35 16.585 -4.613 -31.230 1.00 0.00 C ATOM 727 CE LYS B 35 15.766 -4.995 -32.442 1.00 0.00 C ATOM 728 NZ LYS B 35 16.338 -6.117 -33.229 1.00 0.00 N ATOM 0 H LYS B 35 17.583 -0.615 -31.388 1.00 0.00 H new ATOM 0 HA LYS B 35 15.611 -0.997 -29.265 1.00 0.00 H new ATOM 0 HB2 LYS B 35 18.102 -2.482 -30.168 1.00 0.00 H new ATOM 0 HB3 LYS B 35 17.105 -2.973 -28.813 1.00 0.00 H new ATOM 0 HG2 LYS B 35 15.183 -3.338 -30.251 1.00 0.00 H new ATOM 0 HG3 LYS B 35 15.993 -2.601 -31.620 1.00 0.00 H new ATOM 0 HD2 LYS B 35 17.646 -4.606 -31.481 1.00 0.00 H new ATOM 0 HD3 LYS B 35 16.449 -5.350 -30.438 1.00 0.00 H new ATOM 0 HE2 LYS B 35 14.762 -5.267 -32.118 1.00 0.00 H new ATOM 0 HE3 LYS B 35 15.667 -4.124 -33.090 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 15.722 -6.320 -34.042 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 17.285 -5.855 -33.569 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 16.408 -6.963 -32.628 1.00 0.00 H new ATOM 742 N ARG B 36 16.797 -0.258 -27.165 1.00 0.00 N ATOM 743 CA ARG B 36 17.344 0.627 -26.120 1.00 0.00 C ATOM 744 C ARG B 36 18.829 0.358 -25.760 1.00 0.00 C ATOM 745 O ARG B 36 19.436 1.404 -25.442 1.00 0.00 O ATOM 746 CB ARG B 36 16.541 0.487 -24.789 1.00 0.00 C ATOM 747 CG ARG B 36 16.651 1.735 -24.011 1.00 0.00 C ATOM 748 CD ARG B 36 15.801 1.715 -22.762 1.00 0.00 C ATOM 749 NE ARG B 36 16.444 0.941 -21.604 1.00 0.00 N ATOM 750 CZ ARG B 36 16.975 1.505 -20.548 1.00 0.00 C ATOM 751 NH1 ARG B 36 16.920 2.778 -20.316 1.00 0.00 N ATOM 752 NH2 ARG B 36 17.637 0.786 -19.704 1.00 0.00 N ATOM 0 H ARG B 36 15.988 -0.815 -26.889 1.00 0.00 H new ATOM 0 HA ARG B 36 17.261 1.623 -26.554 1.00 0.00 H new ATOM 0 HB2 ARG B 36 15.494 0.272 -25.005 1.00 0.00 H new ATOM 0 HB3 ARG B 36 16.925 -0.351 -24.207 1.00 0.00 H new ATOM 0 HG2 ARG B 36 17.693 1.897 -23.735 1.00 0.00 H new ATOM 0 HG3 ARG B 36 16.353 2.577 -24.636 1.00 0.00 H new ATOM 0 HD2 ARG B 36 15.611 2.740 -22.444 1.00 0.00 H new ATOM 0 HD3 ARG B 36 14.834 1.269 -22.996 1.00 0.00 H new ATOM 0 HE ARG B 36 16.459 -0.077 -21.660 1.00 0.00 H new ATOM 0 HH11 ARG B 36 16.445 3.396 -20.973 1.00 0.00 H new ATOM 0 HH12 ARG B 36 17.352 3.162 -19.476 1.00 0.00 H new ATOM 0 HH21 ARG B 36 17.744 -0.216 -19.861 1.00 0.00 H new ATOM 0 HH22 ARG B 36 18.053 1.220 -18.880 1.00 0.00 H new ATOM 766 N HIS B 37 19.326 -0.880 -25.964 1.00 0.00 N ATOM 767 CA HIS B 37 20.779 -1.170 -25.830 1.00 0.00 C ATOM 768 C HIS B 37 21.632 -1.004 -27.060 1.00 0.00 C ATOM 769 O HIS B 37 22.810 -1.450 -26.995 1.00 0.00 O ATOM 770 CB HIS B 37 20.862 -2.578 -25.363 1.00 0.00 C ATOM 771 CG HIS B 37 20.459 -3.747 -26.240 1.00 0.00 C ATOM 772 ND1 HIS B 37 19.248 -3.848 -27.005 1.00 0.00 N ATOM 773 CD2 HIS B 37 21.284 -4.821 -26.503 1.00 0.00 C ATOM 774 CE1 HIS B 37 19.338 -5.005 -27.647 1.00 0.00 C ATOM 775 NE2 HIS B 37 20.551 -5.615 -27.369 1.00 0.00 N ATOM 0 H HIS B 37 18.757 -1.687 -26.219 1.00 0.00 H new ATOM 0 HA HIS B 37 21.189 -0.427 -25.145 1.00 0.00 H new ATOM 0 HB2 HIS B 37 21.898 -2.750 -25.069 1.00 0.00 H new ATOM 0 HB3 HIS B 37 20.259 -2.643 -24.458 1.00 0.00 H new ATOM 0 HD2 HIS B 37 22.277 -5.002 -26.120 1.00 0.00 H new ATOM 0 HE1 HIS B 37 18.575 -5.413 -28.294 1.00 0.00 H new ATOM 0 HE2 HIS B 37 20.857 -6.512 -27.745 1.00 0.00 H new ATOM 783 N THR B 38 21.115 -0.469 -28.168 1.00 0.00 N ATOM 784 CA THR B 38 21.893 -0.085 -29.379 1.00 0.00 C ATOM 785 C THR B 38 22.980 1.026 -29.141 1.00 0.00 C ATOM 786 O THR B 38 22.634 2.148 -28.679 1.00 0.00 O ATOM 787 CB THR B 38 20.916 0.412 -30.446 1.00 0.00 C ATOM 788 OG1 THR B 38 19.997 -0.648 -30.918 1.00 0.00 O ATOM 789 CG2 THR B 38 21.476 1.199 -31.603 1.00 0.00 C ATOM 0 H THR B 38 20.117 -0.280 -28.264 1.00 0.00 H new ATOM 0 HA THR B 38 22.436 -0.979 -29.687 1.00 0.00 H new ATOM 0 HB THR B 38 20.355 1.160 -29.885 1.00 0.00 H new ATOM 0 HG1 THR B 38 19.269 -0.761 -30.272 1.00 0.00 H new ATOM 0 HG21 THR B 38 20.667 1.483 -32.276 1.00 0.00 H new ATOM 0 HG22 THR B 38 21.968 2.097 -31.228 1.00 0.00 H new ATOM 0 HG23 THR B 38 22.199 0.588 -32.143 1.00 0.00 H new ATOM 797 N PRO B 39 24.298 0.791 -29.404 1.00 0.00 N ATOM 798 CA PRO B 39 25.302 1.718 -29.026 1.00 0.00 C ATOM 799 C PRO B 39 25.220 3.029 -29.873 1.00 0.00 C ATOM 800 O PRO B 39 24.889 3.018 -31.074 1.00 0.00 O ATOM 801 CB PRO B 39 26.661 1.022 -29.126 1.00 0.00 C ATOM 802 CG PRO B 39 26.400 0.051 -30.312 1.00 0.00 C ATOM 803 CD PRO B 39 24.972 -0.363 -30.040 1.00 0.00 C ATOM 0 HA PRO B 39 25.151 2.037 -27.995 1.00 0.00 H new ATOM 0 HB2 PRO B 39 27.470 1.722 -29.335 1.00 0.00 H new ATOM 0 HB3 PRO B 39 26.924 0.494 -28.209 1.00 0.00 H new ATOM 0 HG2 PRO B 39 26.509 0.543 -31.279 1.00 0.00 H new ATOM 0 HG3 PRO B 39 27.083 -0.798 -30.307 1.00 0.00 H new ATOM 0 HD2 PRO B 39 24.468 -0.641 -30.966 1.00 0.00 H new ATOM 0 HD3 PRO B 39 24.942 -1.235 -29.387 1.00 0.00 H new ATOM 811 N LEU B 40 25.551 4.174 -29.228 1.00 0.00 N ATOM 812 CA LEU B 40 25.457 5.554 -29.887 1.00 0.00 C ATOM 813 C LEU B 40 26.538 5.757 -30.954 1.00 0.00 C ATOM 814 O LEU B 40 26.314 6.581 -31.850 1.00 0.00 O ATOM 815 CB LEU B 40 25.273 6.661 -28.857 1.00 0.00 C ATOM 816 CG LEU B 40 23.960 6.470 -28.006 1.00 0.00 C ATOM 817 CD1 LEU B 40 23.863 7.549 -26.946 1.00 0.00 C ATOM 818 CD2 LEU B 40 22.669 6.617 -28.830 1.00 0.00 C ATOM 0 H LEU B 40 25.884 4.199 -28.264 1.00 0.00 H new ATOM 0 HA LEU B 40 24.538 5.613 -30.470 1.00 0.00 H new ATOM 0 HB2 LEU B 40 26.136 6.682 -28.191 1.00 0.00 H new ATOM 0 HB3 LEU B 40 25.238 7.625 -29.364 1.00 0.00 H new ATOM 0 HG LEU B 40 24.036 5.462 -27.598 1.00 0.00 H new ATOM 0 HD11 LEU B 40 22.952 7.407 -26.364 1.00 0.00 H new ATOM 0 HD12 LEU B 40 24.728 7.489 -26.286 1.00 0.00 H new ATOM 0 HD13 LEU B 40 23.839 8.528 -27.425 1.00 0.00 H new ATOM 0 HD21 LEU B 40 21.805 6.473 -28.181 1.00 0.00 H new ATOM 0 HD22 LEU B 40 22.630 7.613 -29.271 1.00 0.00 H new ATOM 0 HD23 LEU B 40 22.656 5.869 -29.622 1.00 0.00 H new ATOM 830 N SER B 41 27.589 4.932 -31.034 1.00 0.00 N ATOM 831 CA SER B 41 28.539 4.850 -32.127 1.00 0.00 C ATOM 832 C SER B 41 27.867 4.627 -33.474 1.00 0.00 C ATOM 833 O SER B 41 28.148 5.407 -34.383 1.00 0.00 O ATOM 834 CB SER B 41 29.433 3.658 -31.870 1.00 0.00 C ATOM 835 OG SER B 41 28.710 2.428 -31.931 1.00 0.00 O ATOM 0 H SER B 41 27.803 4.269 -30.289 1.00 0.00 H new ATOM 0 HA SER B 41 29.082 5.794 -32.168 1.00 0.00 H new ATOM 0 HB2 SER B 41 30.238 3.643 -32.605 1.00 0.00 H new ATOM 0 HB3 SER B 41 29.898 3.758 -30.889 1.00 0.00 H new ATOM 0 HG SER B 41 29.321 1.681 -31.762 1.00 0.00 H new ATOM 841 N LYS B 42 26.828 3.773 -33.588 1.00 0.00 N ATOM 842 CA LYS B 42 26.181 3.687 -34.874 1.00 0.00 C ATOM 843 C LYS B 42 25.397 5.007 -35.278 1.00 0.00 C ATOM 844 O LYS B 42 25.550 5.442 -36.447 1.00 0.00 O ATOM 845 CB LYS B 42 25.182 2.453 -35.002 1.00 0.00 C ATOM 846 CG LYS B 42 25.879 1.214 -34.440 1.00 0.00 C ATOM 847 CD LYS B 42 25.021 -0.048 -34.618 1.00 0.00 C ATOM 848 CE LYS B 42 25.717 -1.291 -34.104 1.00 0.00 C ATOM 849 NZ LYS B 42 26.997 -1.590 -34.790 1.00 0.00 N ATOM 0 H LYS B 42 26.453 3.178 -32.849 1.00 0.00 H new ATOM 0 HA LYS B 42 27.013 3.543 -35.563 1.00 0.00 H new ATOM 0 HB2 LYS B 42 24.260 2.652 -34.455 1.00 0.00 H new ATOM 0 HB3 LYS B 42 24.906 2.294 -36.044 1.00 0.00 H new ATOM 0 HG2 LYS B 42 26.837 1.077 -34.941 1.00 0.00 H new ATOM 0 HG3 LYS B 42 26.091 1.364 -33.381 1.00 0.00 H new ATOM 0 HD2 LYS B 42 24.075 0.081 -34.091 1.00 0.00 H new ATOM 0 HD3 LYS B 42 24.783 -0.177 -35.674 1.00 0.00 H new ATOM 0 HE2 LYS B 42 25.907 -1.174 -33.037 1.00 0.00 H new ATOM 0 HE3 LYS B 42 25.047 -2.144 -34.217 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 27.338 -2.528 -34.496 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 26.849 -1.582 -35.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 27.703 -0.870 -34.536 1.00 0.00 H new ATOM 863 N LEU B 43 24.888 5.748 -34.313 1.00 0.00 N ATOM 864 CA LEU B 43 24.051 6.855 -34.568 1.00 0.00 C ATOM 865 C LEU B 43 24.930 8.038 -34.948 1.00 0.00 C ATOM 866 O LEU B 43 24.535 8.775 -35.868 1.00 0.00 O ATOM 867 CB LEU B 43 23.201 7.279 -33.364 1.00 0.00 C ATOM 868 CG LEU B 43 21.978 6.385 -33.181 1.00 0.00 C ATOM 869 CD1 LEU B 43 22.308 4.964 -32.657 1.00 0.00 C ATOM 870 CD2 LEU B 43 21.070 7.112 -32.238 1.00 0.00 C ATOM 0 H LEU B 43 25.060 5.578 -33.322 1.00 0.00 H new ATOM 0 HA LEU B 43 23.367 6.556 -35.362 1.00 0.00 H new ATOM 0 HB2 LEU B 43 23.811 7.247 -32.461 1.00 0.00 H new ATOM 0 HB3 LEU B 43 22.878 8.312 -33.495 1.00 0.00 H new ATOM 0 HG LEU B 43 21.512 6.208 -34.150 1.00 0.00 H new ATOM 0 HD11 LEU B 43 21.386 4.391 -32.554 1.00 0.00 H new ATOM 0 HD12 LEU B 43 22.971 4.461 -33.361 1.00 0.00 H new ATOM 0 HD13 LEU B 43 22.799 5.039 -31.687 1.00 0.00 H new ATOM 0 HD21 LEU B 43 20.172 6.518 -32.067 1.00 0.00 H new ATOM 0 HD22 LEU B 43 21.584 7.274 -31.290 1.00 0.00 H new ATOM 0 HD23 LEU B 43 20.792 8.074 -32.669 1.00 0.00 H new ATOM 882 N MET B 44 26.010 8.380 -34.230 1.00 0.00 N ATOM 883 CA MET B 44 27.028 9.447 -34.630 1.00 0.00 C ATOM 884 C MET B 44 27.532 9.239 -36.051 1.00 0.00 C ATOM 885 O MET B 44 27.403 10.122 -36.892 1.00 0.00 O ATOM 886 CB MET B 44 28.165 9.557 -33.559 1.00 0.00 C ATOM 887 CG MET B 44 27.579 9.803 -32.146 1.00 0.00 C ATOM 888 SD MET B 44 28.676 10.121 -30.735 1.00 0.00 S ATOM 889 CE MET B 44 29.018 8.395 -30.290 1.00 0.00 C ATOM 0 H MET B 44 26.232 7.936 -33.339 1.00 0.00 H new ATOM 0 HA MET B 44 26.532 10.417 -34.645 1.00 0.00 H new ATOM 0 HB2 MET B 44 28.756 8.641 -33.556 1.00 0.00 H new ATOM 0 HB3 MET B 44 28.840 10.371 -33.823 1.00 0.00 H new ATOM 0 HG2 MET B 44 26.900 10.652 -32.223 1.00 0.00 H new ATOM 0 HG3 MET B 44 26.974 8.933 -31.893 1.00 0.00 H new ATOM 0 HE1 MET B 44 29.806 8.363 -29.538 1.00 0.00 H new ATOM 0 HE2 MET B 44 28.114 7.937 -29.889 1.00 0.00 H new ATOM 0 HE3 MET B 44 29.340 7.848 -31.176 1.00 0.00 H new ATOM 899 N LYS B 45 27.996 8.086 -36.415 1.00 0.00 N ATOM 900 CA LYS B 45 28.374 7.729 -37.818 1.00 0.00 C ATOM 901 C LYS B 45 27.284 8.118 -38.862 1.00 0.00 C ATOM 902 O LYS B 45 27.498 9.027 -39.717 1.00 0.00 O ATOM 903 CB LYS B 45 28.865 6.265 -37.913 1.00 0.00 C ATOM 904 CG LYS B 45 30.250 6.059 -37.141 1.00 0.00 C ATOM 905 CD LYS B 45 30.716 4.621 -37.068 1.00 0.00 C ATOM 906 CE LYS B 45 30.386 3.983 -35.774 1.00 0.00 C ATOM 907 NZ LYS B 45 30.966 2.668 -35.551 1.00 0.00 N ATOM 0 H LYS B 45 28.140 7.321 -35.756 1.00 0.00 H new ATOM 0 HA LYS B 45 29.229 8.346 -38.096 1.00 0.00 H new ATOM 0 HB2 LYS B 45 28.111 5.599 -37.493 1.00 0.00 H new ATOM 0 HB3 LYS B 45 28.987 5.988 -38.960 1.00 0.00 H new ATOM 0 HG2 LYS B 45 31.019 6.653 -37.635 1.00 0.00 H new ATOM 0 HG3 LYS B 45 30.149 6.447 -36.128 1.00 0.00 H new ATOM 0 HD2 LYS B 45 30.257 4.052 -37.877 1.00 0.00 H new ATOM 0 HD3 LYS B 45 31.794 4.584 -37.223 1.00 0.00 H new ATOM 0 HE2 LYS B 45 30.712 4.644 -34.971 1.00 0.00 H new ATOM 0 HE3 LYS B 45 29.302 3.899 -35.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 30.673 2.313 -34.618 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 30.637 2.014 -36.290 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 32.003 2.736 -35.585 1.00 0.00 H new ATOM 921 N ALA B 46 26.045 7.538 -38.790 1.00 0.00 N ATOM 922 CA ALA B 46 24.908 7.816 -39.702 1.00 0.00 C ATOM 923 C ALA B 46 24.572 9.238 -39.792 1.00 0.00 C ATOM 924 O ALA B 46 24.224 9.704 -40.887 1.00 0.00 O ATOM 925 CB ALA B 46 23.705 6.950 -39.412 1.00 0.00 C ATOM 0 H ALA B 46 25.813 6.848 -38.075 1.00 0.00 H new ATOM 0 HA ALA B 46 25.255 7.535 -40.696 1.00 0.00 H new ATOM 0 HB1 ALA B 46 22.903 7.196 -40.109 1.00 0.00 H new ATOM 0 HB2 ALA B 46 23.976 5.900 -39.526 1.00 0.00 H new ATOM 0 HB3 ALA B 46 23.366 7.128 -38.391 1.00 0.00 H new ATOM 931 N TYR B 47 24.617 10.036 -38.702 1.00 0.00 N ATOM 932 CA TYR B 47 24.285 11.438 -38.715 1.00 0.00 C ATOM 933 C TYR B 47 25.494 12.114 -39.494 1.00 0.00 C ATOM 934 O TYR B 47 25.342 12.691 -40.554 1.00 0.00 O ATOM 935 CB TYR B 47 24.220 12.041 -37.292 1.00 0.00 C ATOM 936 CG TYR B 47 23.889 13.532 -37.381 1.00 0.00 C ATOM 937 CD1 TYR B 47 24.932 14.494 -37.569 1.00 0.00 C ATOM 938 CD2 TYR B 47 22.576 13.938 -37.059 1.00 0.00 C ATOM 939 CE1 TYR B 47 24.638 15.890 -37.360 1.00 0.00 C ATOM 940 CE2 TYR B 47 22.236 15.299 -37.040 1.00 0.00 C ATOM 941 CZ TYR B 47 23.266 16.300 -37.135 1.00 0.00 C ATOM 942 OH TYR B 47 23.003 17.664 -36.992 1.00 0.00 O ATOM 0 H TYR B 47 24.893 9.696 -37.781 1.00 0.00 H new ATOM 0 HA TYR B 47 23.307 11.601 -39.167 1.00 0.00 H new ATOM 0 HB2 TYR B 47 23.463 11.525 -36.702 1.00 0.00 H new ATOM 0 HB3 TYR B 47 25.173 11.900 -36.782 1.00 0.00 H new ATOM 0 HD1 TYR B 47 25.923 14.179 -37.862 1.00 0.00 H new ATOM 0 HD2 TYR B 47 21.827 13.195 -36.825 1.00 0.00 H new ATOM 0 HE1 TYR B 47 25.432 16.622 -37.371 1.00 0.00 H new ATOM 0 HE2 TYR B 47 21.201 15.596 -36.954 1.00 0.00 H new ATOM 0 HH TYR B 47 22.043 17.799 -36.847 1.00 0.00 H new ATOM 952 N CYS B 48 26.701 11.858 -39.097 1.00 0.00 N ATOM 953 CA CYS B 48 27.902 12.436 -39.703 1.00 0.00 C ATOM 954 C CYS B 48 28.133 12.166 -41.162 1.00 0.00 C ATOM 955 O CYS B 48 28.441 13.079 -41.857 1.00 0.00 O ATOM 956 CB CYS B 48 29.129 11.857 -38.958 1.00 0.00 C ATOM 957 SG CYS B 48 30.593 12.885 -39.121 1.00 0.00 S ATOM 0 H CYS B 48 26.904 11.226 -38.322 1.00 0.00 H new ATOM 0 HA CYS B 48 27.759 13.513 -39.616 1.00 0.00 H new ATOM 0 HB2 CYS B 48 28.886 11.744 -37.901 1.00 0.00 H new ATOM 0 HB3 CYS B 48 29.346 10.861 -39.344 1.00 0.00 H new ATOM 0 HG CYS B 48 31.176 12.633 -40.255 1.00 0.00 H new ATOM 963 N GLU B 49 27.712 11.048 -41.640 1.00 0.00 N ATOM 964 CA GLU B 49 27.595 10.633 -43.060 1.00 0.00 C ATOM 965 C GLU B 49 26.566 11.348 -43.983 1.00 0.00 C ATOM 966 O GLU B 49 26.816 11.697 -45.137 1.00 0.00 O ATOM 967 CB GLU B 49 27.352 9.076 -43.088 1.00 0.00 C ATOM 968 CG GLU B 49 28.558 8.208 -42.632 1.00 0.00 C ATOM 969 CD GLU B 49 28.302 6.718 -42.485 1.00 0.00 C ATOM 970 OE1 GLU B 49 27.299 6.252 -43.100 1.00 0.00 O ATOM 971 OE2 GLU B 49 29.061 5.948 -41.835 1.00 0.00 O ATOM 0 H GLU B 49 27.402 10.305 -41.014 1.00 0.00 H new ATOM 0 HA GLU B 49 28.538 10.952 -43.503 1.00 0.00 H new ATOM 0 HB2 GLU B 49 26.498 8.846 -42.450 1.00 0.00 H new ATOM 0 HB3 GLU B 49 27.079 8.785 -44.103 1.00 0.00 H new ATOM 0 HG2 GLU B 49 29.368 8.346 -43.348 1.00 0.00 H new ATOM 0 HG3 GLU B 49 28.911 8.590 -41.674 1.00 0.00 H new ATOM 978 N ARG B 50 25.418 11.630 -43.361 1.00 0.00 N ATOM 979 CA ARG B 50 24.345 12.473 -43.920 1.00 0.00 C ATOM 980 C ARG B 50 24.818 13.980 -43.951 1.00 0.00 C ATOM 981 O ARG B 50 24.506 14.629 -44.948 1.00 0.00 O ATOM 982 CB ARG B 50 23.063 12.212 -43.030 1.00 0.00 C ATOM 983 CG ARG B 50 22.171 11.083 -43.554 1.00 0.00 C ATOM 984 CD ARG B 50 21.190 10.513 -42.496 1.00 0.00 C ATOM 985 NE ARG B 50 20.207 9.573 -43.052 1.00 0.00 N ATOM 986 CZ ARG B 50 19.330 9.986 -43.953 1.00 0.00 C ATOM 987 NH1 ARG B 50 19.146 11.276 -44.324 1.00 0.00 N ATOM 988 NH2 ARG B 50 18.468 9.170 -44.455 1.00 0.00 N ATOM 0 H ARG B 50 25.199 11.272 -42.431 1.00 0.00 H new ATOM 0 HA ARG B 50 24.102 12.229 -44.954 1.00 0.00 H new ATOM 0 HB2 ARG B 50 23.379 11.972 -42.015 1.00 0.00 H new ATOM 0 HB3 ARG B 50 22.477 13.130 -42.974 1.00 0.00 H new ATOM 0 HG2 ARG B 50 21.598 11.451 -44.405 1.00 0.00 H new ATOM 0 HG3 ARG B 50 22.803 10.275 -43.921 1.00 0.00 H new ATOM 0 HD2 ARG B 50 21.762 10.009 -41.717 1.00 0.00 H new ATOM 0 HD3 ARG B 50 20.662 11.339 -42.020 1.00 0.00 H new ATOM 0 HE ARG B 50 20.201 8.601 -42.743 1.00 0.00 H new ATOM 0 HH11 ARG B 50 19.707 12.014 -43.899 1.00 0.00 H new ATOM 0 HH12 ARG B 50 18.446 11.509 -45.028 1.00 0.00 H new ATOM 0 HH21 ARG B 50 18.457 8.194 -44.159 1.00 0.00 H new ATOM 0 HH22 ARG B 50 17.797 9.500 -45.149 1.00 0.00 H new ATOM 1002 N GLN B 51 25.539 14.426 -42.981 1.00 0.00 N ATOM 1003 CA GLN B 51 26.270 15.700 -43.028 1.00 0.00 C ATOM 1004 C GLN B 51 27.350 15.656 -44.050 1.00 0.00 C ATOM 1005 O GLN B 51 27.495 16.663 -44.758 1.00 0.00 O ATOM 1006 CB GLN B 51 26.775 16.150 -41.615 1.00 0.00 C ATOM 1007 CG GLN B 51 25.692 16.173 -40.594 1.00 0.00 C ATOM 1008 CD GLN B 51 24.367 16.919 -40.913 1.00 0.00 C ATOM 1009 OE1 GLN B 51 24.323 17.939 -41.597 1.00 0.00 O ATOM 1010 NE2 GLN B 51 23.305 16.352 -40.503 1.00 0.00 N ATOM 0 H GLN B 51 25.656 13.923 -42.101 1.00 0.00 H new ATOM 0 HA GLN B 51 25.570 16.474 -43.342 1.00 0.00 H new ATOM 0 HB2 GLN B 51 27.565 15.475 -41.285 1.00 0.00 H new ATOM 0 HB3 GLN B 51 27.216 17.144 -41.692 1.00 0.00 H new ATOM 0 HG2 GLN B 51 25.439 15.139 -40.361 1.00 0.00 H new ATOM 0 HG3 GLN B 51 26.106 16.612 -39.686 1.00 0.00 H new ATOM 0 HE21 GLN B 51 23.365 15.506 -39.936 1.00 0.00 H new ATOM 0 HE22 GLN B 51 22.394 16.743 -40.741 1.00 0.00 H new ATOM 1019 N GLY B 52 28.040 14.506 -44.200 1.00 0.00 N ATOM 1020 CA GLY B 52 29.203 14.331 -45.096 1.00 0.00 C ATOM 1021 C GLY B 52 30.489 14.786 -44.560 1.00 0.00 C ATOM 1022 O GLY B 52 31.405 15.150 -45.267 1.00 0.00 O ATOM 0 H GLY B 52 27.799 13.655 -43.691 1.00 0.00 H new ATOM 0 HA2 GLY B 52 29.288 13.274 -45.349 1.00 0.00 H new ATOM 0 HA3 GLY B 52 29.007 14.866 -46.025 1.00 0.00 H new ATOM 1026 N LEU B 53 30.600 14.808 -43.205 1.00 0.00 N ATOM 1027 CA LEU B 53 31.764 15.272 -42.379 1.00 0.00 C ATOM 1028 C LEU B 53 32.547 14.100 -41.681 1.00 0.00 C ATOM 1029 O LEU B 53 32.145 12.928 -41.719 1.00 0.00 O ATOM 1030 CB LEU B 53 31.200 16.276 -41.326 1.00 0.00 C ATOM 1031 CG LEU B 53 30.485 17.492 -41.851 1.00 0.00 C ATOM 1032 CD1 LEU B 53 30.136 18.317 -40.647 1.00 0.00 C ATOM 1033 CD2 LEU B 53 31.372 18.398 -42.790 1.00 0.00 C ATOM 0 H LEU B 53 29.833 14.483 -42.616 1.00 0.00 H new ATOM 0 HA LEU B 53 32.498 15.744 -43.032 1.00 0.00 H new ATOM 0 HB2 LEU B 53 30.513 15.734 -40.676 1.00 0.00 H new ATOM 0 HB3 LEU B 53 32.028 16.614 -40.703 1.00 0.00 H new ATOM 0 HG LEU B 53 29.632 17.157 -42.441 1.00 0.00 H new ATOM 0 HD11 LEU B 53 29.612 19.219 -40.963 1.00 0.00 H new ATOM 0 HD12 LEU B 53 29.494 17.738 -39.983 1.00 0.00 H new ATOM 0 HD13 LEU B 53 31.048 18.594 -40.119 1.00 0.00 H new ATOM 0 HD21 LEU B 53 30.787 19.254 -43.128 1.00 0.00 H new ATOM 0 HD22 LEU B 53 32.244 18.749 -42.239 1.00 0.00 H new ATOM 0 HD23 LEU B 53 31.698 17.818 -43.653 1.00 0.00 H new ATOM 1045 N SER B 54 33.604 14.421 -40.873 1.00 0.00 N ATOM 1046 CA SER B 54 34.170 13.462 -39.898 1.00 0.00 C ATOM 1047 C SER B 54 33.785 13.754 -38.479 1.00 0.00 C ATOM 1048 O SER B 54 33.676 14.902 -38.093 1.00 0.00 O ATOM 1049 CB SER B 54 35.729 13.288 -39.999 1.00 0.00 C ATOM 1050 OG SER B 54 36.407 12.750 -38.840 1.00 0.00 O ATOM 0 H SER B 54 34.070 15.328 -40.884 1.00 0.00 H new ATOM 0 HA SER B 54 33.714 12.515 -40.187 1.00 0.00 H new ATOM 0 HB2 SER B 54 35.943 12.639 -40.848 1.00 0.00 H new ATOM 0 HB3 SER B 54 36.164 14.261 -40.224 1.00 0.00 H new ATOM 0 HG SER B 54 37.368 12.687 -39.023 1.00 0.00 H new ATOM 1056 N MET B 55 33.570 12.712 -37.672 1.00 0.00 N ATOM 1057 CA MET B 55 33.256 12.766 -36.230 1.00 0.00 C ATOM 1058 C MET B 55 34.350 13.535 -35.376 1.00 0.00 C ATOM 1059 O MET B 55 34.030 13.767 -34.192 1.00 0.00 O ATOM 1060 CB MET B 55 32.903 11.319 -35.808 1.00 0.00 C ATOM 1061 CG MET B 55 31.450 10.825 -35.868 1.00 0.00 C ATOM 1062 SD MET B 55 31.298 9.105 -35.415 1.00 0.00 S ATOM 1063 CE MET B 55 31.865 9.134 -33.742 1.00 0.00 C ATOM 0 H MET B 55 33.611 11.754 -38.019 1.00 0.00 H new ATOM 0 HA MET B 55 32.389 13.392 -36.017 1.00 0.00 H new ATOM 0 HB2 MET B 55 33.497 10.648 -36.428 1.00 0.00 H new ATOM 0 HB3 MET B 55 33.245 11.190 -34.781 1.00 0.00 H new ATOM 0 HG2 MET B 55 30.836 11.429 -35.201 1.00 0.00 H new ATOM 0 HG3 MET B 55 31.062 10.968 -36.876 1.00 0.00 H new ATOM 0 HE1 MET B 55 31.507 8.246 -33.221 1.00 0.00 H new ATOM 0 HE2 MET B 55 32.955 9.149 -33.727 1.00 0.00 H new ATOM 0 HE3 MET B 55 31.483 10.025 -33.244 1.00 0.00 H new ATOM 1073 N ARG B 56 35.578 13.900 -35.968 1.00 0.00 N ATOM 1074 CA ARG B 56 36.494 14.853 -35.482 1.00 0.00 C ATOM 1075 C ARG B 56 36.061 16.333 -35.650 1.00 0.00 C ATOM 1076 O ARG B 56 36.285 17.098 -34.737 1.00 0.00 O ATOM 1077 CB ARG B 56 37.919 14.621 -36.144 1.00 0.00 C ATOM 1078 CG ARG B 56 39.060 15.559 -35.684 1.00 0.00 C ATOM 1079 CD ARG B 56 39.121 16.991 -36.276 1.00 0.00 C ATOM 1080 NE ARG B 56 40.395 17.562 -36.080 1.00 0.00 N ATOM 1081 CZ ARG B 56 40.980 18.564 -36.715 1.00 0.00 C ATOM 1082 NH1 ARG B 56 40.282 19.313 -37.515 1.00 0.00 N ATOM 1083 NH2 ARG B 56 42.200 18.795 -36.695 1.00 0.00 N ATOM 0 H ARG B 56 35.897 13.471 -36.836 1.00 0.00 H new ATOM 0 HA ARG B 56 36.534 14.690 -34.405 1.00 0.00 H new ATOM 0 HB2 ARG B 56 38.223 13.593 -35.946 1.00 0.00 H new ATOM 0 HB3 ARG B 56 37.812 14.719 -37.224 1.00 0.00 H new ATOM 0 HG2 ARG B 56 38.998 15.650 -34.600 1.00 0.00 H new ATOM 0 HG3 ARG B 56 40.006 15.066 -35.909 1.00 0.00 H new ATOM 0 HD2 ARG B 56 38.892 16.959 -37.341 1.00 0.00 H new ATOM 0 HD3 ARG B 56 38.362 17.616 -35.806 1.00 0.00 H new ATOM 0 HE ARG B 56 40.949 17.138 -35.336 1.00 0.00 H new ATOM 0 HH11 ARG B 56 39.288 19.127 -37.651 1.00 0.00 H new ATOM 0 HH12 ARG B 56 40.728 20.087 -38.007 1.00 0.00 H new ATOM 0 HH21 ARG B 56 42.825 18.190 -36.162 1.00 0.00 H new ATOM 0 HH22 ARG B 56 42.577 19.589 -37.212 1.00 0.00 H new ATOM 1097 N GLN B 57 35.429 16.753 -36.766 1.00 0.00 N ATOM 1098 CA GLN B 57 34.838 18.129 -36.958 1.00 0.00 C ATOM 1099 C GLN B 57 33.567 18.399 -36.137 1.00 0.00 C ATOM 1100 O GLN B 57 33.245 19.562 -35.910 1.00 0.00 O ATOM 1101 CB GLN B 57 34.508 18.220 -38.464 1.00 0.00 C ATOM 1102 CG GLN B 57 33.740 19.478 -38.946 1.00 0.00 C ATOM 1103 CD GLN B 57 33.856 19.737 -40.465 1.00 0.00 C ATOM 1104 OE1 GLN B 57 34.540 19.008 -41.179 1.00 0.00 O ATOM 1105 NE2 GLN B 57 33.203 20.759 -40.982 1.00 0.00 N ATOM 0 H GLN B 57 35.304 16.151 -37.580 1.00 0.00 H new ATOM 0 HA GLN B 57 35.554 18.875 -36.612 1.00 0.00 H new ATOM 0 HB2 GLN B 57 35.444 18.162 -39.019 1.00 0.00 H new ATOM 0 HB3 GLN B 57 33.922 17.342 -38.735 1.00 0.00 H new ATOM 0 HG2 GLN B 57 32.687 19.372 -38.685 1.00 0.00 H new ATOM 0 HG3 GLN B 57 34.115 20.349 -38.409 1.00 0.00 H new ATOM 0 HE21 GLN B 57 32.637 21.359 -40.382 1.00 0.00 H new ATOM 0 HE22 GLN B 57 33.263 20.950 -41.982 1.00 0.00 H new ATOM 1114 N ILE B 58 32.879 17.480 -35.520 1.00 0.00 N ATOM 1115 CA ILE B 58 31.610 17.668 -34.831 1.00 0.00 C ATOM 1116 C ILE B 58 31.550 16.834 -33.591 1.00 0.00 C ATOM 1117 O ILE B 58 32.344 15.932 -33.343 1.00 0.00 O ATOM 1118 CB ILE B 58 30.491 17.192 -35.828 1.00 0.00 C ATOM 1119 CG1 ILE B 58 30.362 15.636 -36.064 1.00 0.00 C ATOM 1120 CG2 ILE B 58 30.542 17.987 -37.107 1.00 0.00 C ATOM 1121 CD1 ILE B 58 29.133 15.209 -36.800 1.00 0.00 C ATOM 0 H ILE B 58 33.201 16.513 -35.476 1.00 0.00 H new ATOM 0 HA ILE B 58 31.484 18.710 -34.538 1.00 0.00 H new ATOM 0 HB ILE B 58 29.555 17.411 -35.314 1.00 0.00 H new ATOM 0 HG12 ILE B 58 31.236 15.294 -36.618 1.00 0.00 H new ATOM 0 HG13 ILE B 58 30.381 15.134 -35.097 1.00 0.00 H new ATOM 0 HG21 ILE B 58 29.759 17.641 -37.782 1.00 0.00 H new ATOM 0 HG22 ILE B 58 30.389 19.043 -36.885 1.00 0.00 H new ATOM 0 HG23 ILE B 58 31.515 17.853 -37.580 1.00 0.00 H new ATOM 0 HD11 ILE B 58 29.135 14.125 -36.913 1.00 0.00 H new ATOM 0 HD12 ILE B 58 28.249 15.514 -36.240 1.00 0.00 H new ATOM 0 HD13 ILE B 58 29.118 15.676 -37.785 1.00 0.00 H new ATOM 1133 N ARG B 59 30.665 17.213 -32.661 1.00 0.00 N ATOM 1134 CA ARG B 59 30.488 16.526 -31.369 1.00 0.00 C ATOM 1135 C ARG B 59 29.042 16.533 -30.985 1.00 0.00 C ATOM 1136 O ARG B 59 28.346 17.443 -31.293 1.00 0.00 O ATOM 1137 CB ARG B 59 31.305 17.092 -30.228 1.00 0.00 C ATOM 1138 CG ARG B 59 32.823 16.975 -30.384 1.00 0.00 C ATOM 1139 CD ARG B 59 33.374 15.564 -30.249 1.00 0.00 C ATOM 1140 NE ARG B 59 34.829 15.494 -30.306 1.00 0.00 N ATOM 1141 CZ ARG B 59 35.580 15.994 -31.319 1.00 0.00 C ATOM 1142 NH1 ARG B 59 35.063 16.160 -32.530 1.00 0.00 N ATOM 1143 NH2 ARG B 59 36.838 16.200 -31.163 1.00 0.00 N ATOM 0 H ARG B 59 30.044 18.013 -32.782 1.00 0.00 H new ATOM 0 HA ARG B 59 30.856 15.513 -31.530 1.00 0.00 H new ATOM 0 HB2 ARG B 59 31.050 18.145 -30.108 1.00 0.00 H new ATOM 0 HB3 ARG B 59 31.012 16.586 -29.308 1.00 0.00 H new ATOM 0 HG2 ARG B 59 33.104 17.367 -31.361 1.00 0.00 H new ATOM 0 HG3 ARG B 59 33.300 17.609 -29.637 1.00 0.00 H new ATOM 0 HD2 ARG B 59 33.036 15.141 -29.303 1.00 0.00 H new ATOM 0 HD3 ARG B 59 32.958 14.944 -31.043 1.00 0.00 H new ATOM 0 HE ARG B 59 35.315 15.039 -29.533 1.00 0.00 H new ATOM 0 HH11 ARG B 59 34.090 15.911 -32.708 1.00 0.00 H new ATOM 0 HH12 ARG B 59 35.639 16.537 -33.283 1.00 0.00 H new ATOM 0 HH21 ARG B 59 37.283 15.987 -30.270 1.00 0.00 H new ATOM 0 HH22 ARG B 59 37.392 16.576 -31.932 1.00 0.00 H new ATOM 1157 N PHE B 60 28.574 15.423 -30.381 1.00 0.00 N ATOM 1158 CA PHE B 60 27.225 15.003 -29.995 1.00 0.00 C ATOM 1159 C PHE B 60 27.103 15.133 -28.451 1.00 0.00 C ATOM 1160 O PHE B 60 28.013 14.649 -27.731 1.00 0.00 O ATOM 1161 CB PHE B 60 26.898 13.534 -30.424 1.00 0.00 C ATOM 1162 CG PHE B 60 26.892 13.347 -31.913 1.00 0.00 C ATOM 1163 CD1 PHE B 60 28.075 13.222 -32.588 1.00 0.00 C ATOM 1164 CD2 PHE B 60 25.688 13.380 -32.689 1.00 0.00 C ATOM 1165 CE1 PHE B 60 28.139 13.145 -33.990 1.00 0.00 C ATOM 1166 CE2 PHE B 60 25.765 13.316 -34.087 1.00 0.00 C ATOM 1167 CZ PHE B 60 26.975 13.197 -34.780 1.00 0.00 C ATOM 0 H PHE B 60 29.241 14.698 -30.117 1.00 0.00 H new ATOM 0 HA PHE B 60 26.510 15.645 -30.510 1.00 0.00 H new ATOM 0 HB2 PHE B 60 27.631 12.860 -29.981 1.00 0.00 H new ATOM 0 HB3 PHE B 60 25.924 13.252 -30.024 1.00 0.00 H new ATOM 0 HD1 PHE B 60 28.994 13.181 -32.023 1.00 0.00 H new ATOM 0 HD2 PHE B 60 24.728 13.454 -32.200 1.00 0.00 H new ATOM 0 HE1 PHE B 60 29.101 13.044 -34.471 1.00 0.00 H new ATOM 0 HE2 PHE B 60 24.848 13.361 -34.656 1.00 0.00 H new ATOM 0 HZ PHE B 60 27.014 13.148 -35.858 1.00 0.00 H new ATOM 1177 N ARG B 61 26.027 15.812 -27.987 1.00 0.00 N ATOM 1178 CA ARG B 61 25.798 16.166 -26.611 1.00 0.00 C ATOM 1179 C ARG B 61 24.296 15.772 -26.182 1.00 0.00 C ATOM 1180 O ARG B 61 23.353 15.785 -26.978 1.00 0.00 O ATOM 1181 CB ARG B 61 26.229 17.648 -26.564 1.00 0.00 C ATOM 1182 CG ARG B 61 26.453 18.083 -25.087 1.00 0.00 C ATOM 1183 CD ARG B 61 26.622 19.560 -24.892 1.00 0.00 C ATOM 1184 NE ARG B 61 27.779 20.026 -25.666 1.00 0.00 N ATOM 1185 CZ ARG B 61 28.084 21.221 -26.101 1.00 0.00 C ATOM 1186 NH1 ARG B 61 27.324 22.243 -25.857 1.00 0.00 N ATOM 1187 NH2 ARG B 61 29.176 21.377 -26.766 1.00 0.00 N ATOM 0 H ARG B 61 25.280 16.130 -28.604 1.00 0.00 H new ATOM 0 HA ARG B 61 26.366 15.627 -25.853 1.00 0.00 H new ATOM 0 HB2 ARG B 61 27.145 17.789 -27.137 1.00 0.00 H new ATOM 0 HB3 ARG B 61 25.465 18.274 -27.026 1.00 0.00 H new ATOM 0 HG2 ARG B 61 25.606 17.745 -24.490 1.00 0.00 H new ATOM 0 HG3 ARG B 61 27.337 17.575 -24.702 1.00 0.00 H new ATOM 0 HD2 ARG B 61 25.722 20.085 -25.211 1.00 0.00 H new ATOM 0 HD3 ARG B 61 26.764 19.784 -23.835 1.00 0.00 H new ATOM 0 HE ARG B 61 28.455 19.300 -25.903 1.00 0.00 H new ATOM 0 HH11 ARG B 61 26.468 22.124 -25.315 1.00 0.00 H new ATOM 0 HH12 ARG B 61 27.582 23.166 -26.207 1.00 0.00 H new ATOM 0 HH21 ARG B 61 29.783 20.577 -26.944 1.00 0.00 H new ATOM 0 HH22 ARG B 61 29.433 22.300 -27.115 1.00 0.00 H new ATOM 1201 N PHE B 62 24.112 15.449 -24.895 1.00 0.00 N ATOM 1202 CA PHE B 62 22.925 15.188 -24.176 1.00 0.00 C ATOM 1203 C PHE B 62 23.034 15.536 -22.761 1.00 0.00 C ATOM 1204 O PHE B 62 24.022 15.280 -22.098 1.00 0.00 O ATOM 1205 CB PHE B 62 22.573 13.686 -24.291 1.00 0.00 C ATOM 1206 CG PHE B 62 21.481 13.173 -23.397 1.00 0.00 C ATOM 1207 CD1 PHE B 62 20.141 13.347 -23.756 1.00 0.00 C ATOM 1208 CD2 PHE B 62 21.795 12.319 -22.380 1.00 0.00 C ATOM 1209 CE1 PHE B 62 19.126 12.777 -22.954 1.00 0.00 C ATOM 1210 CE2 PHE B 62 20.886 11.655 -21.571 1.00 0.00 C ATOM 1211 CZ PHE B 62 19.532 11.926 -21.904 1.00 0.00 C ATOM 0 H PHE B 62 24.922 15.362 -24.281 1.00 0.00 H new ATOM 0 HA PHE B 62 22.144 15.810 -24.613 1.00 0.00 H new ATOM 0 HB2 PHE B 62 22.290 13.482 -25.324 1.00 0.00 H new ATOM 0 HB3 PHE B 62 23.476 13.110 -24.089 1.00 0.00 H new ATOM 0 HD1 PHE B 62 19.883 13.913 -24.639 1.00 0.00 H new ATOM 0 HD2 PHE B 62 22.844 12.145 -22.189 1.00 0.00 H new ATOM 0 HE1 PHE B 62 18.082 12.984 -23.137 1.00 0.00 H new ATOM 0 HE2 PHE B 62 21.179 10.996 -20.767 1.00 0.00 H new ATOM 0 HZ PHE B 62 18.763 11.449 -21.315 1.00 0.00 H new ATOM 1221 N ASP B 63 21.971 16.100 -22.252 1.00 0.00 N ATOM 1222 CA ASP B 63 21.746 16.551 -20.843 1.00 0.00 C ATOM 1223 C ASP B 63 22.872 17.547 -20.369 1.00 0.00 C ATOM 1224 O ASP B 63 23.179 17.566 -19.177 1.00 0.00 O ATOM 1225 CB ASP B 63 21.449 15.286 -20.040 1.00 0.00 C ATOM 1226 CG ASP B 63 20.603 15.610 -18.793 1.00 0.00 C ATOM 1227 OD1 ASP B 63 20.113 16.757 -18.635 1.00 0.00 O ATOM 1228 OD2 ASP B 63 20.322 14.648 -18.042 1.00 0.00 O ATOM 0 H ASP B 63 21.154 16.285 -22.834 1.00 0.00 H new ATOM 0 HA ASP B 63 20.879 17.195 -20.694 1.00 0.00 H new ATOM 0 HB2 ASP B 63 20.919 14.569 -20.667 1.00 0.00 H new ATOM 0 HB3 ASP B 63 22.384 14.815 -19.737 1.00 0.00 H new ATOM 1233 N GLY B 64 23.596 18.211 -21.335 1.00 0.00 N ATOM 1234 CA GLY B 64 24.760 19.048 -21.043 1.00 0.00 C ATOM 1235 C GLY B 64 26.089 18.329 -20.786 1.00 0.00 C ATOM 1236 O GLY B 64 27.041 19.009 -20.489 1.00 0.00 O ATOM 0 H GLY B 64 23.368 18.164 -22.328 1.00 0.00 H new ATOM 0 HA2 GLY B 64 24.902 19.733 -21.878 1.00 0.00 H new ATOM 0 HA3 GLY B 64 24.529 19.656 -20.168 1.00 0.00 H new ATOM 1240 N GLN B 65 26.199 17.041 -21.061 1.00 0.00 N ATOM 1241 CA GLN B 65 27.440 16.175 -21.082 1.00 0.00 C ATOM 1242 C GLN B 65 27.823 15.652 -22.539 1.00 0.00 C ATOM 1243 O GLN B 65 26.942 15.491 -23.405 1.00 0.00 O ATOM 1244 CB GLN B 65 27.357 15.098 -20.032 1.00 0.00 C ATOM 1245 CG GLN B 65 27.712 15.715 -18.645 1.00 0.00 C ATOM 1246 CD GLN B 65 29.188 15.984 -18.521 1.00 0.00 C ATOM 1247 OE1 GLN B 65 29.633 17.036 -18.862 1.00 0.00 O ATOM 1248 NE2 GLN B 65 29.985 15.009 -18.151 1.00 0.00 N ATOM 0 H GLN B 65 25.371 16.496 -21.300 1.00 0.00 H new ATOM 0 HA GLN B 65 28.288 16.804 -20.811 1.00 0.00 H new ATOM 0 HB2 GLN B 65 26.354 14.671 -20.009 1.00 0.00 H new ATOM 0 HB3 GLN B 65 28.044 14.286 -20.270 1.00 0.00 H new ATOM 0 HG2 GLN B 65 27.159 16.644 -18.507 1.00 0.00 H new ATOM 0 HG3 GLN B 65 27.397 15.036 -17.853 1.00 0.00 H new ATOM 0 HE21 GLN B 65 29.594 14.113 -17.861 1.00 0.00 H new ATOM 0 HE22 GLN B 65 30.996 15.148 -18.153 1.00 0.00 H new ATOM 1257 N PRO B 66 29.128 15.438 -22.874 1.00 0.00 N ATOM 1258 CA PRO B 66 29.628 14.745 -24.103 1.00 0.00 C ATOM 1259 C PRO B 66 29.224 13.234 -24.072 1.00 0.00 C ATOM 1260 O PRO B 66 29.417 12.535 -23.081 1.00 0.00 O ATOM 1261 CB PRO B 66 31.141 14.955 -24.202 1.00 0.00 C ATOM 1262 CG PRO B 66 31.558 15.299 -22.756 1.00 0.00 C ATOM 1263 CD PRO B 66 30.236 15.676 -22.008 1.00 0.00 C ATOM 0 HA PRO B 66 29.171 15.167 -24.998 1.00 0.00 H new ATOM 0 HB2 PRO B 66 31.647 14.059 -24.562 1.00 0.00 H new ATOM 0 HB3 PRO B 66 31.389 15.761 -24.893 1.00 0.00 H new ATOM 0 HG2 PRO B 66 32.049 14.451 -22.279 1.00 0.00 H new ATOM 0 HG3 PRO B 66 32.266 16.128 -22.740 1.00 0.00 H new ATOM 0 HD2 PRO B 66 30.136 15.084 -21.098 1.00 0.00 H new ATOM 0 HD3 PRO B 66 30.260 16.723 -21.706 1.00 0.00 H new ATOM 1271 N ILE B 67 28.654 12.804 -25.243 1.00 0.00 N ATOM 1272 CA ILE B 67 28.351 11.356 -25.535 1.00 0.00 C ATOM 1273 C ILE B 67 29.643 10.649 -26.031 1.00 0.00 C ATOM 1274 O ILE B 67 30.330 11.064 -26.947 1.00 0.00 O ATOM 1275 CB ILE B 67 27.280 11.213 -26.645 1.00 0.00 C ATOM 1276 CG1 ILE B 67 25.906 11.711 -26.176 1.00 0.00 C ATOM 1277 CG2 ILE B 67 27.101 9.735 -27.166 1.00 0.00 C ATOM 1278 CD1 ILE B 67 24.714 11.541 -27.190 1.00 0.00 C ATOM 0 H ILE B 67 28.395 13.436 -26.000 1.00 0.00 H new ATOM 0 HA ILE B 67 27.979 10.905 -24.615 1.00 0.00 H new ATOM 0 HB ILE B 67 27.655 11.828 -27.463 1.00 0.00 H new ATOM 0 HG12 ILE B 67 25.649 11.186 -25.256 1.00 0.00 H new ATOM 0 HG13 ILE B 67 25.993 12.768 -25.926 1.00 0.00 H new ATOM 0 HG21 ILE B 67 26.335 9.713 -27.941 1.00 0.00 H new ATOM 0 HG22 ILE B 67 28.045 9.378 -27.578 1.00 0.00 H new ATOM 0 HG23 ILE B 67 26.799 9.092 -26.339 1.00 0.00 H new ATOM 0 HD11 ILE B 67 23.799 11.929 -26.744 1.00 0.00 H new ATOM 0 HD12 ILE B 67 24.933 12.091 -28.105 1.00 0.00 H new ATOM 0 HD13 ILE B 67 24.583 10.485 -27.424 1.00 0.00 H new ATOM 1290 N ASN B 68 29.918 9.462 -25.503 1.00 0.00 N ATOM 1291 CA ASN B 68 31.048 8.598 -25.887 1.00 0.00 C ATOM 1292 C ASN B 68 30.511 7.515 -26.844 1.00 0.00 C ATOM 1293 O ASN B 68 29.327 7.272 -26.903 1.00 0.00 O ATOM 1294 CB ASN B 68 31.491 7.901 -24.583 1.00 0.00 C ATOM 1295 CG ASN B 68 31.690 8.834 -23.389 1.00 0.00 C ATOM 1296 OD1 ASN B 68 32.720 9.570 -23.226 1.00 0.00 O ATOM 1297 ND2 ASN B 68 30.995 8.544 -22.323 1.00 0.00 N ATOM 0 H ASN B 68 29.343 9.052 -24.767 1.00 0.00 H new ATOM 0 HA ASN B 68 31.858 9.153 -26.361 1.00 0.00 H new ATOM 0 HB2 ASN B 68 30.746 7.150 -24.319 1.00 0.00 H new ATOM 0 HB3 ASN B 68 32.425 7.371 -24.771 1.00 0.00 H new ATOM 0 HD21 ASN B 68 31.284 8.902 -21.413 1.00 0.00 H new ATOM 0 HD22 ASN B 68 30.163 7.959 -22.400 1.00 0.00 H new ATOM 1304 N GLU B 69 31.464 6.896 -27.585 1.00 0.00 N ATOM 1305 CA GLU B 69 31.235 5.800 -28.489 1.00 0.00 C ATOM 1306 C GLU B 69 30.893 4.386 -27.787 1.00 0.00 C ATOM 1307 O GLU B 69 30.352 3.473 -28.361 1.00 0.00 O ATOM 1308 CB GLU B 69 32.354 5.697 -29.522 1.00 0.00 C ATOM 1309 CG GLU B 69 32.340 6.938 -30.394 1.00 0.00 C ATOM 1310 CD GLU B 69 33.623 7.065 -31.245 1.00 0.00 C ATOM 1311 OE1 GLU B 69 34.220 6.019 -31.676 1.00 0.00 O ATOM 1312 OE2 GLU B 69 34.082 8.211 -31.366 1.00 0.00 O ATOM 0 H GLU B 69 32.444 7.177 -27.549 1.00 0.00 H new ATOM 0 HA GLU B 69 30.311 6.046 -29.013 1.00 0.00 H new ATOM 0 HB2 GLU B 69 33.318 5.599 -29.023 1.00 0.00 H new ATOM 0 HB3 GLU B 69 32.219 4.805 -30.135 1.00 0.00 H new ATOM 0 HG2 GLU B 69 31.471 6.909 -31.051 1.00 0.00 H new ATOM 0 HG3 GLU B 69 32.234 7.822 -29.765 1.00 0.00 H new ATOM 1319 N THR B 70 31.190 4.226 -26.420 1.00 0.00 N ATOM 1320 CA THR B 70 30.790 3.091 -25.553 1.00 0.00 C ATOM 1321 C THR B 70 29.424 3.289 -24.843 1.00 0.00 C ATOM 1322 O THR B 70 28.934 2.326 -24.325 1.00 0.00 O ATOM 1323 CB THR B 70 31.794 2.845 -24.366 1.00 0.00 C ATOM 1324 OG1 THR B 70 31.958 4.074 -23.677 1.00 0.00 O ATOM 1325 CG2 THR B 70 33.164 2.429 -24.923 1.00 0.00 C ATOM 0 H THR B 70 31.732 4.924 -25.910 1.00 0.00 H new ATOM 0 HA THR B 70 30.759 2.261 -26.259 1.00 0.00 H new ATOM 0 HB THR B 70 31.410 2.064 -23.710 1.00 0.00 H new ATOM 0 HG1 THR B 70 32.579 3.949 -22.929 1.00 0.00 H new ATOM 0 HG21 THR B 70 33.856 2.260 -24.098 1.00 0.00 H new ATOM 0 HG22 THR B 70 33.058 1.512 -25.502 1.00 0.00 H new ATOM 0 HG23 THR B 70 33.551 3.220 -25.565 1.00 0.00 H new ATOM 1333 N ASP B 71 28.866 4.503 -24.930 1.00 0.00 N ATOM 1334 CA ASP B 71 27.509 4.796 -24.364 1.00 0.00 C ATOM 1335 C ASP B 71 26.411 4.099 -25.208 1.00 0.00 C ATOM 1336 O ASP B 71 26.581 4.072 -26.452 1.00 0.00 O ATOM 1337 CB ASP B 71 27.236 6.326 -24.175 1.00 0.00 C ATOM 1338 CG ASP B 71 28.272 7.175 -23.384 1.00 0.00 C ATOM 1339 OD1 ASP B 71 29.093 6.612 -22.622 1.00 0.00 O ATOM 1340 OD2 ASP B 71 28.333 8.403 -23.569 1.00 0.00 O ATOM 0 H ASP B 71 29.314 5.302 -25.379 1.00 0.00 H new ATOM 0 HA ASP B 71 27.481 4.379 -23.357 1.00 0.00 H new ATOM 0 HB2 ASP B 71 27.133 6.769 -25.166 1.00 0.00 H new ATOM 0 HB3 ASP B 71 26.272 6.431 -23.677 1.00 0.00 H new ATOM 1345 N THR B 72 25.299 3.600 -24.573 1.00 0.00 N ATOM 1346 CA THR B 72 24.115 3.182 -25.285 1.00 0.00 C ATOM 1347 C THR B 72 23.033 4.158 -24.735 1.00 0.00 C ATOM 1348 O THR B 72 23.228 4.874 -23.758 1.00 0.00 O ATOM 1349 CB THR B 72 23.830 1.661 -25.026 1.00 0.00 C ATOM 1350 OG1 THR B 72 23.472 1.459 -23.665 1.00 0.00 O ATOM 1351 CG2 THR B 72 25.148 0.957 -25.311 1.00 0.00 C ATOM 0 H THR B 72 25.232 3.491 -23.561 1.00 0.00 H new ATOM 0 HA THR B 72 24.175 3.239 -26.372 1.00 0.00 H new ATOM 0 HB THR B 72 23.015 1.288 -25.645 1.00 0.00 H new ATOM 0 HG1 THR B 72 23.450 0.499 -23.472 1.00 0.00 H new ATOM 0 HG21 THR B 72 25.030 -0.115 -25.152 1.00 0.00 H new ATOM 0 HG22 THR B 72 25.442 1.140 -26.345 1.00 0.00 H new ATOM 0 HG23 THR B 72 25.918 1.341 -24.641 1.00 0.00 H new ATOM 1359 N PRO B 73 21.797 4.221 -25.295 1.00 0.00 N ATOM 1360 CA PRO B 73 20.659 4.820 -24.601 1.00 0.00 C ATOM 1361 C PRO B 73 20.349 4.177 -23.280 1.00 0.00 C ATOM 1362 O PRO B 73 20.010 4.855 -22.284 1.00 0.00 O ATOM 1363 CB PRO B 73 19.401 4.674 -25.514 1.00 0.00 C ATOM 1364 CG PRO B 73 20.003 4.295 -26.917 1.00 0.00 C ATOM 1365 CD PRO B 73 21.384 3.703 -26.544 1.00 0.00 C ATOM 0 HA PRO B 73 20.919 5.859 -24.400 1.00 0.00 H new ATOM 0 HB2 PRO B 73 18.726 3.902 -25.146 1.00 0.00 H new ATOM 0 HB3 PRO B 73 18.830 5.601 -25.560 1.00 0.00 H new ATOM 0 HG2 PRO B 73 19.380 3.571 -27.443 1.00 0.00 H new ATOM 0 HG3 PRO B 73 20.097 5.166 -27.566 1.00 0.00 H new ATOM 0 HD2 PRO B 73 21.325 2.616 -26.497 1.00 0.00 H new ATOM 0 HD3 PRO B 73 22.117 3.950 -27.312 1.00 0.00 H new ATOM 1373 N ALA B 74 20.555 2.879 -23.200 1.00 0.00 N ATOM 1374 CA ALA B 74 20.291 2.072 -21.926 1.00 0.00 C ATOM 1375 C ALA B 74 21.259 2.397 -20.765 1.00 0.00 C ATOM 1376 O ALA B 74 20.905 2.568 -19.608 1.00 0.00 O ATOM 1377 CB ALA B 74 20.416 0.599 -22.230 1.00 0.00 C ATOM 0 H ALA B 74 20.904 2.319 -23.977 1.00 0.00 H new ATOM 0 HA ALA B 74 19.286 2.344 -21.604 1.00 0.00 H new ATOM 0 HB1 ALA B 74 20.228 0.023 -21.324 1.00 0.00 H new ATOM 0 HB2 ALA B 74 19.689 0.322 -22.993 1.00 0.00 H new ATOM 0 HB3 ALA B 74 21.422 0.386 -22.593 1.00 0.00 H new ATOM 1383 N GLN B 75 22.544 2.531 -21.131 1.00 0.00 N ATOM 1384 CA GLN B 75 23.601 3.081 -20.273 1.00 0.00 C ATOM 1385 C GLN B 75 23.220 4.540 -19.774 1.00 0.00 C ATOM 1386 O GLN B 75 23.184 4.739 -18.551 1.00 0.00 O ATOM 1387 CB GLN B 75 24.874 3.044 -21.107 1.00 0.00 C ATOM 1388 CG GLN B 75 26.178 3.564 -20.485 1.00 0.00 C ATOM 1389 CD GLN B 75 26.615 2.816 -19.215 1.00 0.00 C ATOM 1390 OE1 GLN B 75 26.660 1.604 -18.998 1.00 0.00 O ATOM 1391 NE2 GLN B 75 27.066 3.514 -18.196 1.00 0.00 N ATOM 0 H GLN B 75 22.882 2.253 -22.052 1.00 0.00 H new ATOM 0 HA GLN B 75 23.739 2.501 -19.360 1.00 0.00 H new ATOM 0 HB2 GLN B 75 25.041 2.010 -21.409 1.00 0.00 H new ATOM 0 HB3 GLN B 75 24.690 3.616 -22.016 1.00 0.00 H new ATOM 0 HG2 GLN B 75 26.974 3.493 -21.226 1.00 0.00 H new ATOM 0 HG3 GLN B 75 26.057 4.621 -20.247 1.00 0.00 H new ATOM 0 HE21 GLN B 75 27.084 4.533 -18.244 1.00 0.00 H new ATOM 0 HE22 GLN B 75 27.398 3.037 -17.358 1.00 0.00 H new ATOM 1400 N LEU B 76 22.948 5.508 -20.656 1.00 0.00 N ATOM 1401 CA LEU B 76 22.544 6.861 -20.249 1.00 0.00 C ATOM 1402 C LEU B 76 21.089 6.998 -19.747 1.00 0.00 C ATOM 1403 O LEU B 76 20.740 8.089 -19.312 1.00 0.00 O ATOM 1404 CB LEU B 76 22.799 7.812 -21.452 1.00 0.00 C ATOM 1405 CG LEU B 76 24.206 7.863 -22.000 1.00 0.00 C ATOM 1406 CD1 LEU B 76 24.359 8.797 -23.155 1.00 0.00 C ATOM 1407 CD2 LEU B 76 25.244 8.252 -20.942 1.00 0.00 C ATOM 0 H LEU B 76 23.001 5.378 -21.666 1.00 0.00 H new ATOM 0 HA LEU B 76 23.146 7.125 -19.379 1.00 0.00 H new ATOM 0 HB2 LEU B 76 22.130 7.520 -22.262 1.00 0.00 H new ATOM 0 HB3 LEU B 76 22.515 8.821 -21.152 1.00 0.00 H new ATOM 0 HG LEU B 76 24.389 6.843 -22.337 1.00 0.00 H new ATOM 0 HD11 LEU B 76 25.393 8.784 -23.499 1.00 0.00 H new ATOM 0 HD12 LEU B 76 23.703 8.482 -23.967 1.00 0.00 H new ATOM 0 HD13 LEU B 76 24.092 9.807 -22.844 1.00 0.00 H new ATOM 0 HD21 LEU B 76 26.235 8.272 -21.395 1.00 0.00 H new ATOM 0 HD22 LEU B 76 25.007 9.239 -20.545 1.00 0.00 H new ATOM 0 HD23 LEU B 76 25.230 7.522 -20.132 1.00 0.00 H new ATOM 1419 N GLU B 77 20.273 5.943 -19.696 1.00 0.00 N ATOM 1420 CA GLU B 77 18.865 5.963 -19.244 1.00 0.00 C ATOM 1421 C GLU B 77 17.977 7.051 -19.900 1.00 0.00 C ATOM 1422 O GLU B 77 16.970 7.519 -19.275 1.00 0.00 O ATOM 1423 CB GLU B 77 18.821 6.055 -17.768 1.00 0.00 C ATOM 1424 CG GLU B 77 19.607 4.993 -16.953 1.00 0.00 C ATOM 1425 CD GLU B 77 19.048 3.541 -16.966 1.00 0.00 C ATOM 1426 OE1 GLU B 77 18.174 3.201 -17.806 1.00 0.00 O ATOM 1427 OE2 GLU B 77 19.547 2.773 -16.130 1.00 0.00 O ATOM 0 H GLU B 77 20.579 5.012 -19.978 1.00 0.00 H new ATOM 0 HA GLU B 77 18.427 5.023 -19.581 1.00 0.00 H new ATOM 0 HB2 GLU B 77 19.193 7.039 -17.483 1.00 0.00 H new ATOM 0 HB3 GLU B 77 17.776 6.008 -17.460 1.00 0.00 H new ATOM 0 HG2 GLU B 77 20.630 4.966 -17.328 1.00 0.00 H new ATOM 0 HG3 GLU B 77 19.656 5.328 -15.917 1.00 0.00 H new ATOM 1434 N MET B 78 18.252 7.377 -21.169 1.00 0.00 N ATOM 1435 CA MET B 78 17.484 8.371 -21.977 1.00 0.00 C ATOM 1436 C MET B 78 16.011 7.911 -21.962 1.00 0.00 C ATOM 1437 O MET B 78 15.684 6.737 -22.037 1.00 0.00 O ATOM 1438 CB MET B 78 18.067 8.534 -23.396 1.00 0.00 C ATOM 1439 CG MET B 78 19.553 8.756 -23.330 1.00 0.00 C ATOM 1440 SD MET B 78 20.287 8.969 -25.026 1.00 0.00 S ATOM 1441 CE MET B 78 19.241 10.379 -25.589 1.00 0.00 C ATOM 0 H MET B 78 19.026 6.958 -21.685 1.00 0.00 H new ATOM 0 HA MET B 78 17.557 9.370 -21.547 1.00 0.00 H new ATOM 0 HB2 MET B 78 17.852 7.645 -23.989 1.00 0.00 H new ATOM 0 HB3 MET B 78 17.589 9.375 -23.898 1.00 0.00 H new ATOM 0 HG2 MET B 78 19.763 9.640 -22.728 1.00 0.00 H new ATOM 0 HG3 MET B 78 20.026 7.910 -22.831 1.00 0.00 H new ATOM 0 HE1 MET B 78 18.510 10.023 -26.314 1.00 0.00 H new ATOM 0 HE2 MET B 78 18.722 10.812 -24.733 1.00 0.00 H new ATOM 0 HE3 MET B 78 19.872 11.138 -26.052 1.00 0.00 H new ATOM 1451 N GLU B 79 15.110 8.899 -21.882 1.00 0.00 N ATOM 1452 CA GLU B 79 13.722 8.573 -22.210 1.00 0.00 C ATOM 1453 C GLU B 79 13.388 8.681 -23.625 1.00 0.00 C ATOM 1454 O GLU B 79 14.005 9.276 -24.426 1.00 0.00 O ATOM 1455 CB GLU B 79 12.814 9.532 -21.401 1.00 0.00 C ATOM 1456 CG GLU B 79 12.946 9.214 -19.920 1.00 0.00 C ATOM 1457 CD GLU B 79 12.313 7.864 -19.557 1.00 0.00 C ATOM 1458 OE1 GLU B 79 11.312 7.416 -20.133 1.00 0.00 O ATOM 1459 OE2 GLU B 79 12.836 7.291 -18.601 1.00 0.00 O ATOM 0 H GLU B 79 15.298 9.865 -21.613 1.00 0.00 H new ATOM 0 HA GLU B 79 13.569 7.525 -21.954 1.00 0.00 H new ATOM 0 HB2 GLU B 79 13.098 10.567 -21.590 1.00 0.00 H new ATOM 0 HB3 GLU B 79 11.777 9.424 -21.718 1.00 0.00 H new ATOM 0 HG2 GLU B 79 14.001 9.204 -19.645 1.00 0.00 H new ATOM 0 HG3 GLU B 79 12.472 10.004 -19.337 1.00 0.00 H new ATOM 1466 N ASP B 80 12.327 7.981 -24.018 1.00 0.00 N ATOM 1467 CA ASP B 80 11.802 8.207 -25.405 1.00 0.00 C ATOM 1468 C ASP B 80 11.561 9.718 -25.644 1.00 0.00 C ATOM 1469 O ASP B 80 11.141 10.500 -24.806 1.00 0.00 O ATOM 1470 CB ASP B 80 10.536 7.415 -25.593 1.00 0.00 C ATOM 1471 CG ASP B 80 10.533 5.943 -25.202 1.00 0.00 C ATOM 1472 OD1 ASP B 80 10.726 5.748 -23.989 1.00 0.00 O ATOM 1473 OD2 ASP B 80 10.262 5.046 -26.023 1.00 0.00 O ATOM 0 H ASP B 80 11.827 7.292 -23.456 1.00 0.00 H new ATOM 0 HA ASP B 80 12.535 7.868 -26.137 1.00 0.00 H new ATOM 0 HB2 ASP B 80 9.748 7.910 -25.025 1.00 0.00 H new ATOM 0 HB3 ASP B 80 10.259 7.479 -26.645 1.00 0.00 H new ATOM 1478 N GLU B 81 11.763 10.112 -26.888 1.00 0.00 N ATOM 1479 CA GLU B 81 11.624 11.545 -27.460 1.00 0.00 C ATOM 1480 C GLU B 81 12.697 12.545 -26.829 1.00 0.00 C ATOM 1481 O GLU B 81 12.470 13.769 -26.975 1.00 0.00 O ATOM 1482 CB GLU B 81 10.209 12.060 -27.441 1.00 0.00 C ATOM 1483 CG GLU B 81 9.208 11.183 -28.180 1.00 0.00 C ATOM 1484 CD GLU B 81 7.851 11.785 -28.641 1.00 0.00 C ATOM 1485 OE1 GLU B 81 7.303 12.678 -27.972 1.00 0.00 O ATOM 1486 OE2 GLU B 81 7.356 11.333 -29.682 1.00 0.00 O ATOM 0 H GLU B 81 12.045 9.447 -27.608 1.00 0.00 H new ATOM 0 HA GLU B 81 11.867 11.486 -28.521 1.00 0.00 H new ATOM 0 HB2 GLU B 81 9.887 12.163 -26.405 1.00 0.00 H new ATOM 0 HB3 GLU B 81 10.193 13.057 -27.880 1.00 0.00 H new ATOM 0 HG2 GLU B 81 9.709 10.792 -29.066 1.00 0.00 H new ATOM 0 HG3 GLU B 81 8.985 10.331 -27.538 1.00 0.00 H new ATOM 1493 N ASP B 82 13.754 12.040 -26.279 1.00 0.00 N ATOM 1494 CA ASP B 82 14.969 12.816 -25.940 1.00 0.00 C ATOM 1495 C ASP B 82 15.747 13.279 -27.260 1.00 0.00 C ATOM 1496 O ASP B 82 15.790 12.535 -28.253 1.00 0.00 O ATOM 1497 CB ASP B 82 15.746 12.140 -24.833 1.00 0.00 C ATOM 1498 CG ASP B 82 15.114 12.156 -23.460 1.00 0.00 C ATOM 1499 OD1 ASP B 82 14.293 13.069 -23.164 1.00 0.00 O ATOM 1500 OD2 ASP B 82 15.663 11.551 -22.528 1.00 0.00 O ATOM 0 H ASP B 82 13.828 11.052 -26.035 1.00 0.00 H new ATOM 0 HA ASP B 82 14.716 13.775 -25.488 1.00 0.00 H new ATOM 0 HB2 ASP B 82 15.915 11.102 -25.119 1.00 0.00 H new ATOM 0 HB3 ASP B 82 16.725 12.615 -24.764 1.00 0.00 H new ATOM 1505 N THR B 83 16.435 14.425 -27.197 1.00 0.00 N ATOM 1506 CA THR B 83 17.157 14.995 -28.382 1.00 0.00 C ATOM 1507 C THR B 83 18.622 15.258 -28.082 1.00 0.00 C ATOM 1508 O THR B 83 19.041 15.807 -27.094 1.00 0.00 O ATOM 1509 CB THR B 83 16.489 16.266 -28.928 1.00 0.00 C ATOM 1510 OG1 THR B 83 15.106 16.029 -29.300 1.00 0.00 O ATOM 1511 CG2 THR B 83 17.064 16.937 -30.176 1.00 0.00 C ATOM 0 H THR B 83 16.518 14.987 -26.350 1.00 0.00 H new ATOM 0 HA THR B 83 17.097 14.232 -29.159 1.00 0.00 H new ATOM 0 HB THR B 83 16.658 16.923 -28.075 1.00 0.00 H new ATOM 0 HG1 THR B 83 14.712 16.859 -29.641 1.00 0.00 H new ATOM 0 HG21 THR B 83 16.471 17.818 -30.421 1.00 0.00 H new ATOM 0 HG22 THR B 83 18.095 17.234 -29.987 1.00 0.00 H new ATOM 0 HG23 THR B 83 17.036 16.237 -31.011 1.00 0.00 H new ATOM 1519 N ILE B 84 19.525 14.795 -28.969 1.00 0.00 N ATOM 1520 CA ILE B 84 20.988 14.934 -29.011 1.00 0.00 C ATOM 1521 C ILE B 84 21.416 16.140 -29.817 1.00 0.00 C ATOM 1522 O ILE B 84 21.185 16.210 -30.989 1.00 0.00 O ATOM 1523 CB ILE B 84 21.620 13.603 -29.519 1.00 0.00 C ATOM 1524 CG1 ILE B 84 21.092 12.366 -28.791 1.00 0.00 C ATOM 1525 CG2 ILE B 84 23.130 13.681 -29.509 1.00 0.00 C ATOM 1526 CD1 ILE B 84 21.542 10.980 -29.262 1.00 0.00 C ATOM 0 H ILE B 84 19.203 14.249 -29.768 1.00 0.00 H new ATOM 0 HA ILE B 84 21.360 15.117 -28.003 1.00 0.00 H new ATOM 0 HB ILE B 84 21.303 13.479 -30.554 1.00 0.00 H new ATOM 0 HG12 ILE B 84 21.365 12.461 -27.740 1.00 0.00 H new ATOM 0 HG13 ILE B 84 20.004 12.394 -28.842 1.00 0.00 H new ATOM 0 HG21 ILE B 84 23.545 12.739 -29.868 1.00 0.00 H new ATOM 0 HG22 ILE B 84 23.457 14.493 -30.159 1.00 0.00 H new ATOM 0 HG23 ILE B 84 23.478 13.867 -28.493 1.00 0.00 H new ATOM 0 HD11 ILE B 84 21.076 10.215 -28.640 1.00 0.00 H new ATOM 0 HD12 ILE B 84 21.244 10.834 -30.300 1.00 0.00 H new ATOM 0 HD13 ILE B 84 22.626 10.903 -29.181 1.00 0.00 H new ATOM 1538 N ASP B 85 22.010 17.163 -29.210 1.00 0.00 N ATOM 1539 CA ASP B 85 22.517 18.330 -29.952 1.00 0.00 C ATOM 1540 C ASP B 85 23.861 17.982 -30.624 1.00 0.00 C ATOM 1541 O ASP B 85 24.641 17.213 -30.058 1.00 0.00 O ATOM 1542 CB ASP B 85 22.775 19.370 -28.922 1.00 0.00 C ATOM 1543 CG ASP B 85 21.597 20.275 -28.616 1.00 0.00 C ATOM 1544 OD1 ASP B 85 21.084 21.039 -29.519 1.00 0.00 O ATOM 1545 OD2 ASP B 85 21.061 20.348 -27.472 1.00 0.00 O ATOM 0 H ASP B 85 22.156 17.214 -28.202 1.00 0.00 H new ATOM 0 HA ASP B 85 21.811 18.650 -30.718 1.00 0.00 H new ATOM 0 HB2 ASP B 85 23.085 18.878 -28.000 1.00 0.00 H new ATOM 0 HB3 ASP B 85 23.612 19.986 -29.251 1.00 0.00 H new ATOM 1550 N VAL B 86 24.185 18.672 -31.745 1.00 0.00 N ATOM 1551 CA VAL B 86 25.427 18.497 -32.385 1.00 0.00 C ATOM 1552 C VAL B 86 26.145 19.834 -32.677 1.00 0.00 C ATOM 1553 O VAL B 86 25.453 20.766 -33.114 1.00 0.00 O ATOM 1554 CB VAL B 86 25.235 17.736 -33.770 1.00 0.00 C ATOM 1555 CG1 VAL B 86 26.509 17.362 -34.445 1.00 0.00 C ATOM 1556 CG2 VAL B 86 24.405 16.408 -33.624 1.00 0.00 C ATOM 0 H VAL B 86 23.570 19.350 -32.195 1.00 0.00 H new ATOM 0 HA VAL B 86 26.040 17.915 -31.697 1.00 0.00 H new ATOM 0 HB VAL B 86 24.703 18.469 -34.375 1.00 0.00 H new ATOM 0 HG11 VAL B 86 26.288 16.848 -35.381 1.00 0.00 H new ATOM 0 HG12 VAL B 86 27.088 18.262 -34.653 1.00 0.00 H new ATOM 0 HG13 VAL B 86 27.085 16.702 -33.796 1.00 0.00 H new ATOM 0 HG21 VAL B 86 24.306 15.932 -34.599 1.00 0.00 H new ATOM 0 HG22 VAL B 86 24.918 15.732 -32.940 1.00 0.00 H new ATOM 0 HG23 VAL B 86 23.415 16.639 -33.231 1.00 0.00 H new ATOM 1566 N PHE B 87 27.446 19.867 -32.427 1.00 0.00 N ATOM 1567 CA PHE B 87 28.287 21.044 -32.377 1.00 0.00 C ATOM 1568 C PHE B 87 29.580 20.952 -33.127 1.00 0.00 C ATOM 1569 O PHE B 87 30.256 19.950 -32.976 1.00 0.00 O ATOM 1570 CB PHE B 87 28.613 21.375 -30.971 1.00 0.00 C ATOM 1571 CG PHE B 87 27.420 21.641 -30.112 1.00 0.00 C ATOM 1572 CD1 PHE B 87 26.694 22.921 -30.251 1.00 0.00 C ATOM 1573 CD2 PHE B 87 27.019 20.666 -29.207 1.00 0.00 C ATOM 1574 CE1 PHE B 87 25.672 23.188 -29.380 1.00 0.00 C ATOM 1575 CE2 PHE B 87 25.949 20.907 -28.376 1.00 0.00 C ATOM 1576 CZ PHE B 87 25.287 22.204 -28.427 1.00 0.00 C ATOM 0 H PHE B 87 27.972 19.013 -32.242 1.00 0.00 H new ATOM 0 HA PHE B 87 27.692 21.815 -32.867 1.00 0.00 H new ATOM 0 HB2 PHE B 87 29.182 20.552 -30.538 1.00 0.00 H new ATOM 0 HB3 PHE B 87 29.260 22.252 -30.957 1.00 0.00 H new ATOM 0 HD1 PHE B 87 26.963 23.629 -31.021 1.00 0.00 H new ATOM 0 HD2 PHE B 87 27.544 19.724 -29.156 1.00 0.00 H new ATOM 0 HE1 PHE B 87 25.161 24.139 -29.416 1.00 0.00 H new ATOM 0 HE2 PHE B 87 25.604 20.144 -27.694 1.00 0.00 H new ATOM 0 HZ PHE B 87 24.491 22.422 -27.730 1.00 0.00 H new ATOM 1586 N GLN B 88 29.959 21.989 -33.894 1.00 0.00 N ATOM 1587 CA GLN B 88 31.200 21.952 -34.661 1.00 0.00 C ATOM 1588 C GLN B 88 32.445 22.106 -33.711 1.00 0.00 C ATOM 1589 O GLN B 88 32.284 22.561 -32.576 1.00 0.00 O ATOM 1590 CB GLN B 88 31.006 23.046 -35.834 1.00 0.00 C ATOM 1591 CG GLN B 88 29.933 22.539 -36.822 1.00 0.00 C ATOM 1592 CD GLN B 88 30.408 21.987 -38.214 1.00 0.00 C ATOM 1593 OE1 GLN B 88 31.569 21.703 -38.467 1.00 0.00 O ATOM 1594 NE2 GLN B 88 29.572 22.107 -39.275 1.00 0.00 N ATOM 0 H GLN B 88 29.424 22.852 -33.994 1.00 0.00 H new ATOM 0 HA GLN B 88 31.414 20.997 -35.142 1.00 0.00 H new ATOM 0 HB2 GLN B 88 30.704 24.004 -35.410 1.00 0.00 H new ATOM 0 HB3 GLN B 88 31.949 23.211 -36.355 1.00 0.00 H new ATOM 0 HG2 GLN B 88 29.369 21.749 -36.325 1.00 0.00 H new ATOM 0 HG3 GLN B 88 29.238 23.358 -37.008 1.00 0.00 H new ATOM 0 HE21 GLN B 88 28.591 22.343 -39.127 1.00 0.00 H new ATOM 0 HE22 GLN B 88 29.925 21.962 -40.221 1.00 0.00 H new ATOM 1603 N GLN B 89 33.648 21.676 -34.099 1.00 0.00 N ATOM 1604 CA GLN B 89 34.902 21.995 -33.408 1.00 0.00 C ATOM 1605 C GLN B 89 35.565 23.217 -34.101 1.00 0.00 C ATOM 1606 O GLN B 89 35.276 23.488 -35.298 1.00 0.00 O ATOM 1607 CB GLN B 89 35.865 20.836 -33.194 1.00 0.00 C ATOM 1608 CG GLN B 89 35.260 19.576 -32.648 1.00 0.00 C ATOM 1609 CD GLN B 89 34.792 19.838 -31.240 1.00 0.00 C ATOM 1610 OE1 GLN B 89 35.537 19.604 -30.291 1.00 0.00 O ATOM 1611 NE2 GLN B 89 33.558 20.287 -31.049 1.00 0.00 N ATOM 0 H GLN B 89 33.781 21.084 -34.919 1.00 0.00 H new ATOM 0 HA GLN B 89 34.632 22.249 -32.383 1.00 0.00 H new ATOM 0 HB2 GLN B 89 36.342 20.604 -34.146 1.00 0.00 H new ATOM 0 HB3 GLN B 89 36.652 21.163 -32.514 1.00 0.00 H new ATOM 0 HG2 GLN B 89 34.425 19.257 -33.271 1.00 0.00 H new ATOM 0 HG3 GLN B 89 35.993 18.769 -32.659 1.00 0.00 H new ATOM 0 HE21 GLN B 89 32.954 20.476 -31.849 1.00 0.00 H new ATOM 0 HE22 GLN B 89 33.213 20.444 -30.102 1.00 0.00 H new