USER MOD reduce.3.24.130724 H: found=0, std=0, add=1347, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1170 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 619 MET CE :methyl -172:sc=-0.00523 (180deg=-0.0575) USER MOD Set 1.2: B 670 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: B 673 MET CE :methyl 165:sc= -0.0184 (180deg=-0.44) USER MOD Set 2.1: A 75 ASN :FLIP amide:sc= -0.362 F(o=-2.2,f=-0.66) USER MOD Set 2.2: B 648 THR OG1 : rot -140:sc= -0.299 USER MOD Set 3.1: B 637 GLN :FLIP amide:sc= -0.924 F(o=-4.7,f=-2.4) USER MOD Set 3.2: B 641 GLN :FLIP amide:sc= -2.36! X(o=-2.6,f=-2.4!) USER MOD Set 3.3: B 656 GLN :FLIP amide:sc= 0.873 F(o=-6.6!,f=-2.4) USER MOD Set 4.1: A 66 ASN : amide:sc= -0.437 X(o=0.83,f=1.2) USER MOD Set 4.2: A 67 THR OG1 : rot 96:sc= 1.26 USER MOD Set 5.1: A 64 LYS NZ :NH3+ -146:sc= 0.321 (180deg=-0.418) USER MOD Set 5.2: B 658 GLN : amide:sc= -0.675 K(o=-0.35,f=-9.4!) USER MOD Set 6.1: A 27 HIS :FLIP no HD1:sc= -0.163 F(o=-0.79,f=-0.18) USER MOD Set 6.2: A 31 GLN :FLIP amide:sc= -0.0177 X(o=-0.38,f=-0.18) USER MOD Set 7.1: A 25 MET CE :methyl 153:sc= -4.23! (180deg=-6.97!) USER MOD Set 7.2: B 663 MET CE :methyl -119:sc= -2.21 (180deg=-4.75!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc=-0.00651 (180deg=-0.0726) USER MOD Single : A 2 SER OG : rot 25:sc= 0.605 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.0928 X(o=-0.093,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00765 X(o=-0.0077,f=-0.21) USER MOD Single : A 16 SER OG : rot 55:sc= 0.855 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -130:sc= -0.426 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl 162:sc= -0.309 (180deg=-0.726) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 43 HIS : no HD1:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc=-4.28e-05 USER MOD Single : A 52 GLN : amide:sc=-0.00105 X(o=-0.001,f=-0.059) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.133 F(o=-0.9,f=-0.13) USER MOD Single : A 73 GLN : amide:sc= -1.06 K(o=-1.1,f=-2) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 10:sc= 1.15 USER MOD Single : A 93 THR OG1 : rot -108:sc= 0.99 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : B 601 SER OG : rot 180:sc= 0 USER MOD Single : B 602 MET CE :methyl -132:sc= -0.368 (180deg=-2.21!) USER MOD Single : B 603 SER OG : rot 180:sc= -0.0457 USER MOD Single : B 604 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 606 MET CE :methyl -132:sc=-0.00317 (180deg=-0.163) USER MOD Single : B 607 TYR OH : rot 180:sc= 0 USER MOD Single : B 608 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 609 TYR OH : rot 180:sc= 0 USER MOD Single : B 612 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 615 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 180:sc= 0 USER MOD Single : B 627 GLN : amide:sc= -0.0829 K(o=-0.083,f=-0.62) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 642 SER OG : rot 92:sc= 0.0471 USER MOD Single : B 645 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0 USER MOD Single : B 652 TYR OH : rot 180:sc= 0 USER MOD Single : B 653 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 660 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 661 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 671 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 674 SER OG : rot 180:sc= 0 USER MOD Single : B 675 SER OG : rot -82:sc= 0.698 USER MOD Single : B 676 THR OG1 : rot 87:sc= 0.956 USER MOD Single : B 677 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-2.2) USER MOD Single : B 680 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.4) USER MOD Single : B 681 THR OG1 : rot 180:sc= 0.00535 USER MOD Single : B 682 MET CE :methyl -131:sc= -2.99! (180deg=-6.84!) USER MOD Single : B 684 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 685 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 689 THR OG1 : rot 180:sc= -0.0148 USER MOD Single : B 694 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.353 -43.289 5.747 1.00 0.00 N ATOM 2 CA MET A 1 -3.452 -44.144 6.924 1.00 0.00 C ATOM 3 C MET A 1 -2.414 -43.751 7.970 1.00 0.00 C ATOM 4 O MET A 1 -1.790 -44.609 8.593 1.00 0.00 O ATOM 5 CB MET A 1 -3.266 -45.612 6.532 1.00 0.00 C ATOM 6 CG MET A 1 -4.469 -46.206 5.816 1.00 0.00 C ATOM 7 SD MET A 1 -4.263 -47.960 5.453 1.00 0.00 S ATOM 8 CE MET A 1 -5.912 -48.387 4.902 1.00 0.00 C ATOM 0 H1 MET A 1 -3.468 -43.865 4.889 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.099 -42.565 5.780 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.422 -42.826 5.731 1.00 0.00 H new ATOM 0 HA MET A 1 -4.445 -44.013 7.355 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.390 -45.700 5.889 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.062 -46.196 7.429 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.358 -46.068 6.431 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.638 -45.664 4.886 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.946 -49.445 4.640 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.626 -48.188 5.702 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.170 -47.789 4.028 1.00 0.00 H new ATOM 16 N SER A 2 -2.236 -42.446 8.160 1.00 0.00 N ATOM 17 CA SER A 2 -1.272 -41.940 9.128 1.00 0.00 C ATOM 18 C SER A 2 -1.606 -40.506 9.529 1.00 0.00 C ATOM 19 O SER A 2 -1.571 -39.594 8.703 1.00 0.00 O ATOM 20 CB SER A 2 0.144 -42.002 8.551 1.00 0.00 C ATOM 21 OG SER A 2 0.261 -41.188 7.398 1.00 0.00 O ATOM 0 H SER A 2 -2.747 -41.722 7.656 1.00 0.00 H new ATOM 0 HA SER A 2 -1.323 -42.570 10.016 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.861 -41.676 9.304 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.392 -43.033 8.299 1.00 0.00 H new ATOM 0 HG SER A 2 -0.412 -40.477 7.430 1.00 0.00 H new ATOM 26 N LEU A 3 -1.931 -40.315 10.803 1.00 0.00 N ATOM 27 CA LEU A 3 -2.273 -38.993 11.315 1.00 0.00 C ATOM 28 C LEU A 3 -1.106 -38.392 12.093 1.00 0.00 C ATOM 29 O LEU A 3 -0.813 -38.808 13.215 1.00 0.00 O ATOM 30 CB LEU A 3 -3.509 -39.076 12.213 1.00 0.00 C ATOM 31 CG LEU A 3 -4.575 -38.004 11.987 1.00 0.00 C ATOM 32 CD1 LEU A 3 -5.829 -38.615 11.380 1.00 0.00 C ATOM 33 CD2 LEU A 3 -4.905 -37.296 13.294 1.00 0.00 C ATOM 0 H LEU A 3 -1.965 -41.059 11.500 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.491 -38.347 10.465 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.970 -40.054 12.073 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.183 -39.023 13.252 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.179 -37.268 11.287 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.576 -37.836 11.227 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.583 -39.075 10.423 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.228 -39.372 12.055 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.666 -36.536 13.114 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.280 -38.021 14.016 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.006 -36.823 13.689 1.00 0.00 H new ATOM 44 N LEU A 4 -0.445 -37.410 11.490 1.00 0.00 N ATOM 45 CA LEU A 4 0.690 -36.750 12.126 1.00 0.00 C ATOM 46 C LEU A 4 0.279 -35.400 12.705 1.00 0.00 C ATOM 47 O LEU A 4 0.632 -34.349 12.167 1.00 0.00 O ATOM 48 CB LEU A 4 1.826 -36.561 11.119 1.00 0.00 C ATOM 49 CG LEU A 4 2.386 -37.839 10.492 1.00 0.00 C ATOM 50 CD1 LEU A 4 3.349 -37.502 9.365 1.00 0.00 C ATOM 51 CD2 LEU A 4 3.076 -38.692 11.547 1.00 0.00 C ATOM 0 H LEU A 4 -0.675 -37.053 10.562 1.00 0.00 H new ATOM 0 HA LEU A 4 1.038 -37.384 12.941 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.471 -35.913 10.318 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.642 -36.036 11.616 1.00 0.00 H new ATOM 0 HG LEU A 4 1.557 -38.411 10.076 1.00 0.00 H new ATOM 0 HD11 LEU A 4 3.738 -38.423 8.931 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.826 -36.932 8.598 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.175 -36.909 9.757 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.468 -39.597 11.083 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.895 -38.128 11.992 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.359 -38.963 12.322 1.00 0.00 H new ATOM 62 N ASP A 5 -0.466 -35.435 13.804 1.00 0.00 N ATOM 63 CA ASP A 5 -0.923 -34.214 14.458 1.00 0.00 C ATOM 64 C ASP A 5 -1.495 -34.519 15.839 1.00 0.00 C ATOM 65 O ASP A 5 -2.676 -34.290 16.096 1.00 0.00 O ATOM 66 CB ASP A 5 -1.976 -33.513 13.599 1.00 0.00 C ATOM 67 CG ASP A 5 -2.269 -32.104 14.077 1.00 0.00 C ATOM 68 OD1 ASP A 5 -1.343 -31.451 14.602 1.00 0.00 O ATOM 69 OD2 ASP A 5 -3.425 -31.656 13.927 1.00 0.00 O ATOM 0 H ASP A 5 -0.767 -36.296 14.261 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.065 -33.552 14.578 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.633 -33.479 12.565 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.897 -34.096 13.610 1.00 0.00 H new ATOM 73 N ALA A 6 -0.648 -35.037 16.723 1.00 0.00 N ATOM 74 CA ALA A 6 -1.070 -35.373 18.077 1.00 0.00 C ATOM 75 C ALA A 6 -1.660 -34.158 18.785 1.00 0.00 C ATOM 76 O ALA A 6 -2.810 -34.181 19.225 1.00 0.00 O ATOM 77 CB ALA A 6 0.102 -35.931 18.872 1.00 0.00 C ATOM 0 H ALA A 6 0.333 -35.233 16.526 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.846 -36.135 18.011 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.228 -36.178 19.881 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.478 -36.830 18.383 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.896 -35.186 18.921 1.00 0.00 H new ATOM 83 N HIS A 7 -0.866 -33.098 18.893 1.00 0.00 N ATOM 84 CA HIS A 7 -1.310 -31.873 19.548 1.00 0.00 C ATOM 85 C HIS A 7 -0.443 -30.688 19.132 1.00 0.00 C ATOM 86 O HIS A 7 -0.303 -29.718 19.878 1.00 0.00 O ATOM 87 CB HIS A 7 -1.273 -32.040 21.067 1.00 0.00 C ATOM 88 CG HIS A 7 -2.384 -31.327 21.776 1.00 0.00 C ATOM 89 ND1 HIS A 7 -2.227 -30.094 22.372 1.00 0.00 N ATOM 90 CD2 HIS A 7 -3.674 -31.681 21.981 1.00 0.00 C ATOM 91 CE1 HIS A 7 -3.373 -29.720 22.915 1.00 0.00 C ATOM 92 NE2 HIS A 7 -4.267 -30.666 22.690 1.00 0.00 N ATOM 0 H HIS A 7 0.089 -33.063 18.535 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.336 -31.675 19.237 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -1.321 -33.102 21.309 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.318 -31.671 21.442 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -4.149 -32.592 21.649 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -3.548 -28.799 23.451 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -5.240 -30.646 22.994 1.00 0.00 H new ATOM 99 N ILE A 8 0.136 -30.775 17.939 1.00 0.00 N ATOM 100 CA ILE A 8 0.989 -29.711 17.426 1.00 0.00 C ATOM 101 C ILE A 8 0.201 -28.758 16.533 1.00 0.00 C ATOM 102 O ILE A 8 -0.793 -29.130 15.909 1.00 0.00 O ATOM 103 CB ILE A 8 2.178 -30.278 16.629 1.00 0.00 C ATOM 104 CG1 ILE A 8 1.690 -30.921 15.329 1.00 0.00 C ATOM 105 CG2 ILE A 8 2.946 -31.286 17.470 1.00 0.00 C ATOM 106 CD1 ILE A 8 2.800 -31.533 14.504 1.00 0.00 C ATOM 0 H ILE A 8 0.030 -31.571 17.310 1.00 0.00 H new ATOM 0 HA ILE A 8 1.368 -29.166 18.290 1.00 0.00 H new ATOM 0 HB ILE A 8 2.850 -29.458 16.375 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.958 -31.692 15.567 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.177 -30.168 14.731 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.784 -31.678 16.893 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.322 -30.798 18.370 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.284 -32.105 17.751 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.381 -31.970 13.598 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.521 -30.761 14.235 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.299 -32.309 15.084 1.00 0.00 H new ATOM 117 N PRO A 9 0.655 -27.498 16.467 1.00 0.00 N ATOM 118 CA PRO A 9 0.008 -26.465 15.651 1.00 0.00 C ATOM 119 C PRO A 9 0.187 -26.711 14.156 1.00 0.00 C ATOM 120 O PRO A 9 1.102 -26.172 13.535 1.00 0.00 O ATOM 121 CB PRO A 9 0.727 -25.181 16.071 1.00 0.00 C ATOM 122 CG PRO A 9 2.060 -25.633 16.560 1.00 0.00 C ATOM 123 CD PRO A 9 1.834 -26.983 17.184 1.00 0.00 C ATOM 0 HA PRO A 9 -1.070 -26.437 15.807 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.826 -24.491 15.233 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.176 -24.657 16.852 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.776 -25.696 15.740 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.468 -24.930 17.286 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.698 -27.635 17.056 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.650 -26.905 18.255 1.00 0.00 H new ATOM 128 N GLN A 10 -0.692 -27.528 13.587 1.00 0.00 N ATOM 129 CA GLN A 10 -0.631 -27.846 12.165 1.00 0.00 C ATOM 130 C GLN A 10 -1.902 -27.397 11.452 1.00 0.00 C ATOM 131 O GLN A 10 -2.977 -27.349 12.049 1.00 0.00 O ATOM 132 CB GLN A 10 -0.421 -29.348 11.965 1.00 0.00 C ATOM 133 CG GLN A 10 0.123 -29.708 10.592 1.00 0.00 C ATOM 134 CD GLN A 10 1.588 -30.094 10.629 1.00 0.00 C ATOM 135 OE1 GLN A 10 1.993 -31.096 10.039 1.00 0.00 O ATOM 136 NE2 GLN A 10 2.394 -29.300 11.324 1.00 0.00 N ATOM 0 H GLN A 10 -1.455 -27.982 14.088 1.00 0.00 H new ATOM 0 HA GLN A 10 0.214 -27.309 11.734 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.267 -29.715 12.727 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.370 -29.863 12.117 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.457 -30.535 10.181 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.009 -28.861 9.919 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.017 -28.479 11.798 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.390 -29.511 11.384 1.00 0.00 H new ATOM 143 N LEU A 11 -1.771 -27.070 10.171 1.00 0.00 N ATOM 144 CA LEU A 11 -2.909 -26.624 9.375 1.00 0.00 C ATOM 145 C LEU A 11 -3.582 -25.415 10.016 1.00 0.00 C ATOM 146 O LEU A 11 -4.776 -25.179 9.822 1.00 0.00 O ATOM 147 CB LEU A 11 -3.921 -27.760 9.217 1.00 0.00 C ATOM 148 CG LEU A 11 -3.584 -28.818 8.164 1.00 0.00 C ATOM 149 CD1 LEU A 11 -3.220 -30.136 8.830 1.00 0.00 C ATOM 150 CD2 LEU A 11 -4.750 -29.008 7.205 1.00 0.00 C ATOM 0 H LEU A 11 -0.888 -27.105 9.661 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.541 -26.333 8.391 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.032 -28.258 10.180 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.889 -27.325 8.969 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.723 -28.472 7.593 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.983 -30.877 8.066 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.354 -29.991 9.475 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.062 -30.487 9.427 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.492 -29.764 6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.630 -29.331 7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.965 -28.065 6.702 1.00 0.00 H new ATOM 161 N VAL A 12 -2.809 -24.649 10.779 1.00 0.00 N ATOM 162 CA VAL A 12 -3.328 -23.461 11.446 1.00 0.00 C ATOM 163 C VAL A 12 -3.564 -22.330 10.450 1.00 0.00 C ATOM 164 O VAL A 12 -3.122 -22.398 9.304 1.00 0.00 O ATOM 165 CB VAL A 12 -2.369 -22.970 12.546 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.093 -24.082 13.547 1.00 0.00 C ATOM 167 CG2 VAL A 12 -1.074 -22.458 11.934 1.00 0.00 C ATOM 0 H VAL A 12 -1.820 -24.830 10.951 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.277 -23.744 11.902 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.843 -22.145 13.077 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.413 -23.718 14.317 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.029 -24.397 14.008 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.638 -24.929 13.033 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.408 -22.115 12.726 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.592 -23.262 11.377 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.293 -21.630 11.260 1.00 0.00 H new ATOM 177 N ALA A 13 -4.263 -21.292 10.897 1.00 0.00 N ATOM 178 CA ALA A 13 -4.554 -20.145 10.047 1.00 0.00 C ATOM 179 C ALA A 13 -5.217 -20.582 8.744 1.00 0.00 C ATOM 180 O ALA A 13 -5.088 -19.916 7.718 1.00 0.00 O ATOM 181 CB ALA A 13 -3.281 -19.366 9.757 1.00 0.00 C ATOM 0 H ALA A 13 -4.638 -21.222 11.843 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.250 -19.497 10.580 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.514 -18.512 9.121 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.849 -19.014 10.694 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.566 -20.013 9.248 1.00 0.00 H new ATOM 187 N SER A 14 -5.927 -21.704 8.795 1.00 0.00 N ATOM 188 CA SER A 14 -6.606 -22.233 7.617 1.00 0.00 C ATOM 189 C SER A 14 -7.962 -21.559 7.425 1.00 0.00 C ATOM 190 O SER A 14 -8.424 -21.384 6.298 1.00 0.00 O ATOM 191 CB SER A 14 -6.790 -23.746 7.744 1.00 0.00 C ATOM 192 OG SER A 14 -7.509 -24.267 6.640 1.00 0.00 O ATOM 0 H SER A 14 -6.047 -22.265 9.639 1.00 0.00 H new ATOM 0 HA SER A 14 -5.987 -22.022 6.745 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.815 -24.230 7.808 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.321 -23.975 8.668 1.00 0.00 H new ATOM 0 HG SER A 14 -7.612 -25.236 6.744 1.00 0.00 H new ATOM 197 N GLN A 15 -8.592 -21.184 8.533 1.00 0.00 N ATOM 198 CA GLN A 15 -9.895 -20.530 8.487 1.00 0.00 C ATOM 199 C GLN A 15 -9.870 -19.334 7.542 1.00 0.00 C ATOM 200 O GLN A 15 -10.572 -19.314 6.530 1.00 0.00 O ATOM 201 CB GLN A 15 -10.312 -20.080 9.888 1.00 0.00 C ATOM 202 CG GLN A 15 -10.935 -21.189 10.722 1.00 0.00 C ATOM 203 CD GLN A 15 -9.899 -22.012 11.463 1.00 0.00 C ATOM 204 OE1 GLN A 15 -9.041 -21.470 12.159 1.00 0.00 O ATOM 205 NE2 GLN A 15 -9.976 -23.329 11.317 1.00 0.00 N ATOM 0 H GLN A 15 -8.222 -21.322 9.473 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.623 -21.250 8.113 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.438 -19.690 10.411 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.024 -19.259 9.800 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.629 -20.752 11.440 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.517 -21.843 10.073 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.704 -23.735 10.730 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.307 -23.935 11.792 1.00 0.00 H new ATOM 212 N SER A 16 -9.057 -18.337 7.878 1.00 0.00 N ATOM 213 CA SER A 16 -8.944 -17.134 7.061 1.00 0.00 C ATOM 214 C SER A 16 -7.914 -16.174 7.648 1.00 0.00 C ATOM 215 O SER A 16 -8.191 -15.465 8.615 1.00 0.00 O ATOM 216 CB SER A 16 -10.302 -16.438 6.951 1.00 0.00 C ATOM 217 OG SER A 16 -10.936 -16.749 5.721 1.00 0.00 O ATOM 0 H SER A 16 -8.467 -18.339 8.710 1.00 0.00 H new ATOM 0 HA SER A 16 -8.613 -17.430 6.065 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.940 -16.744 7.780 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.169 -15.359 7.033 1.00 0.00 H new ATOM 0 HG SER A 16 -11.002 -17.722 5.624 1.00 0.00 H new ATOM 222 N ALA A 17 -6.725 -16.158 7.056 1.00 0.00 N ATOM 223 CA ALA A 17 -5.653 -15.284 7.517 1.00 0.00 C ATOM 224 C ALA A 17 -5.351 -14.196 6.492 1.00 0.00 C ATOM 225 O ALA A 17 -5.002 -13.072 6.849 1.00 0.00 O ATOM 226 CB ALA A 17 -4.401 -16.095 7.813 1.00 0.00 C ATOM 0 H ALA A 17 -6.479 -16.741 6.256 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.984 -14.799 8.435 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.609 -15.429 8.156 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.618 -16.830 8.588 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.077 -16.608 6.907 1.00 0.00 H new ATOM 232 N PHE A 18 -5.487 -14.539 5.215 1.00 0.00 N ATOM 233 CA PHE A 18 -5.228 -13.592 4.137 1.00 0.00 C ATOM 234 C PHE A 18 -6.390 -12.618 3.978 1.00 0.00 C ATOM 235 O PHE A 18 -6.192 -11.445 3.661 1.00 0.00 O ATOM 236 CB PHE A 18 -4.988 -14.338 2.822 1.00 0.00 C ATOM 237 CG PHE A 18 -4.351 -13.488 1.760 1.00 0.00 C ATOM 238 CD1 PHE A 18 -5.115 -12.610 1.008 1.00 0.00 C ATOM 239 CD2 PHE A 18 -2.990 -13.567 1.513 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.532 -11.827 0.028 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.402 -12.786 0.536 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.174 -11.915 -0.207 1.00 0.00 C ATOM 0 H PHE A 18 -5.775 -15.466 4.902 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.334 -13.023 4.393 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.352 -15.202 3.014 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.939 -14.718 2.450 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.177 -12.536 1.189 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.381 -14.247 2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.138 -11.148 -0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.340 -12.857 0.354 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.717 -11.304 -0.971 1.00 0.00 H new ATOM 251 N ALA A 19 -7.604 -13.112 4.197 1.00 0.00 N ATOM 252 CA ALA A 19 -8.799 -12.285 4.080 1.00 0.00 C ATOM 253 C ALA A 19 -8.873 -11.264 5.210 1.00 0.00 C ATOM 254 O ALA A 19 -9.384 -10.159 5.027 1.00 0.00 O ATOM 255 CB ALA A 19 -10.046 -13.158 4.072 1.00 0.00 C ATOM 0 H ALA A 19 -7.786 -14.081 4.457 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.743 -11.741 3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.931 -12.528 3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.004 -13.844 3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.097 -13.728 5.000 1.00 0.00 H new ATOM 261 N ALA A 20 -8.360 -11.640 6.376 1.00 0.00 N ATOM 262 CA ALA A 20 -8.367 -10.756 7.535 1.00 0.00 C ATOM 263 C ALA A 20 -7.643 -9.448 7.232 1.00 0.00 C ATOM 264 O ALA A 20 -8.180 -8.363 7.453 1.00 0.00 O ATOM 265 CB ALA A 20 -7.731 -11.447 8.731 1.00 0.00 C ATOM 0 H ALA A 20 -7.934 -12.551 6.544 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.404 -10.521 7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.743 -10.775 9.589 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.292 -12.350 8.970 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.701 -11.712 8.493 1.00 0.00 H new ATOM 271 N LYS A 21 -6.420 -9.558 6.724 1.00 0.00 N ATOM 272 CA LYS A 21 -5.621 -8.385 6.389 1.00 0.00 C ATOM 273 C LYS A 21 -6.264 -7.596 5.253 1.00 0.00 C ATOM 274 O LYS A 21 -6.243 -6.365 5.252 1.00 0.00 O ATOM 275 CB LYS A 21 -4.203 -8.804 5.995 1.00 0.00 C ATOM 276 CG LYS A 21 -3.213 -8.759 7.147 1.00 0.00 C ATOM 277 CD LYS A 21 -2.497 -10.088 7.319 1.00 0.00 C ATOM 278 CE LYS A 21 -2.279 -10.417 8.788 1.00 0.00 C ATOM 279 NZ LYS A 21 -2.270 -11.886 9.032 1.00 0.00 N ATOM 0 H LYS A 21 -5.960 -10.449 6.535 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.572 -7.745 7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.231 -9.816 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.849 -8.152 5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.481 -7.971 6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.737 -8.505 8.068 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.081 -10.880 6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.536 -10.054 6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.334 -9.988 9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.066 -9.955 9.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.119 -12.069 10.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.182 -12.292 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.503 -12.324 8.483 1.00 0.00 H new ATOM 289 N ALA A 22 -6.834 -8.311 4.290 1.00 0.00 N ATOM 290 CA ALA A 22 -7.485 -7.677 3.150 1.00 0.00 C ATOM 291 C ALA A 22 -8.607 -6.750 3.606 1.00 0.00 C ATOM 292 O ALA A 22 -8.711 -5.612 3.148 1.00 0.00 O ATOM 293 CB ALA A 22 -8.025 -8.732 2.196 1.00 0.00 C ATOM 0 H ALA A 22 -6.858 -9.331 4.276 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.742 -7.076 2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.508 -8.244 1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.204 -9.352 1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.750 -9.357 2.717 1.00 0.00 H new ATOM 299 N GLY A 23 -9.447 -7.244 4.511 1.00 0.00 N ATOM 300 CA GLY A 23 -10.551 -6.447 5.013 1.00 0.00 C ATOM 301 C GLY A 23 -10.084 -5.249 5.816 1.00 0.00 C ATOM 302 O GLY A 23 -10.522 -4.124 5.578 1.00 0.00 O ATOM 0 H GLY A 23 -9.382 -8.182 4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.158 -6.104 4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.191 -7.071 5.636 1.00 0.00 H new ATOM 306 N LEU A 24 -9.194 -5.492 6.771 1.00 0.00 N ATOM 307 CA LEU A 24 -8.668 -4.425 7.615 1.00 0.00 C ATOM 308 C LEU A 24 -7.909 -3.396 6.783 1.00 0.00 C ATOM 309 O LEU A 24 -7.900 -2.208 7.103 1.00 0.00 O ATOM 310 CB LEU A 24 -7.749 -5.005 8.692 1.00 0.00 C ATOM 311 CG LEU A 24 -7.770 -4.296 10.046 1.00 0.00 C ATOM 312 CD1 LEU A 24 -7.639 -5.302 11.178 1.00 0.00 C ATOM 313 CD2 LEU A 24 -6.660 -3.257 10.122 1.00 0.00 C ATOM 0 H LEU A 24 -8.821 -6.418 6.980 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.510 -3.927 8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.019 -6.050 8.847 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.727 -4.993 8.314 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.727 -3.785 10.151 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.656 -4.778 12.134 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.469 -6.007 11.136 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.698 -5.843 11.077 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.690 -2.762 11.093 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.694 -3.746 9.994 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.799 -2.517 9.334 1.00 0.00 H new ATOM 324 N MET A 25 -7.275 -3.862 5.711 1.00 0.00 N ATOM 325 CA MET A 25 -6.517 -2.981 4.829 1.00 0.00 C ATOM 326 C MET A 25 -7.374 -1.808 4.364 1.00 0.00 C ATOM 327 O MET A 25 -7.033 -0.648 4.598 1.00 0.00 O ATOM 328 CB MET A 25 -5.998 -3.760 3.620 1.00 0.00 C ATOM 329 CG MET A 25 -5.389 -2.876 2.543 1.00 0.00 C ATOM 330 SD MET A 25 -3.791 -3.481 1.968 1.00 0.00 S ATOM 331 CE MET A 25 -2.684 -2.636 3.096 1.00 0.00 C ATOM 0 H MET A 25 -7.271 -4.843 5.433 1.00 0.00 H new ATOM 0 HA MET A 25 -5.669 -2.588 5.390 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.250 -4.478 3.955 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.818 -4.333 3.188 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.075 -2.815 1.698 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.271 -1.865 2.932 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.770 -3.219 3.214 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.438 -1.652 2.696 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.169 -2.522 4.065 1.00 0.00 H new ATOM 339 N ARG A 26 -8.486 -2.117 3.707 1.00 0.00 N ATOM 340 CA ARG A 26 -9.390 -1.087 3.208 1.00 0.00 C ATOM 341 C ARG A 26 -9.799 -0.135 4.327 1.00 0.00 C ATOM 342 O ARG A 26 -10.042 1.049 4.091 1.00 0.00 O ATOM 343 CB ARG A 26 -10.634 -1.728 2.589 1.00 0.00 C ATOM 344 CG ARG A 26 -10.377 -2.378 1.239 1.00 0.00 C ATOM 345 CD ARG A 26 -11.561 -3.222 0.792 1.00 0.00 C ATOM 346 NE ARG A 26 -11.527 -4.562 1.372 1.00 0.00 N ATOM 347 CZ ARG A 26 -12.559 -5.397 1.351 1.00 0.00 C ATOM 348 NH1 ARG A 26 -13.700 -5.032 0.782 1.00 0.00 N ATOM 349 NH2 ARG A 26 -12.451 -6.601 1.899 1.00 0.00 N ATOM 0 H ARG A 26 -8.783 -3.072 3.507 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.864 -0.516 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.025 -2.479 3.276 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.406 -0.967 2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.177 -1.607 0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.486 -3.002 1.298 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.488 -2.726 1.079 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.563 -3.297 -0.295 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.664 -4.873 1.817 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.786 -4.108 0.359 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.491 -5.675 0.767 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.575 -6.885 2.337 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.244 -7.242 1.882 1.00 0.00 H new ATOM 360 N HIS A 27 -9.873 -0.659 5.546 1.00 0.00 N ATOM 361 CA HIS A 27 -10.253 0.146 6.702 1.00 0.00 C ATOM 362 C HIS A 27 -9.103 1.050 7.136 1.00 0.00 C ATOM 363 O HIS A 27 -9.320 2.185 7.565 1.00 0.00 O ATOM 364 CB HIS A 27 -10.672 -0.758 7.863 1.00 0.00 C ATOM 365 CG HIS A 27 -10.824 -0.030 9.163 1.00 0.00 C ATOM 366 ND1 HIS A 27 -10.149 -0.151 10.330 1.00 0.00 N flip ATOM 367 CD2 HIS A 27 -11.766 0.956 9.368 1.00 0.00 C flip ATOM 368 CE1 HIS A 27 -10.689 0.755 11.209 1.00 0.00 C flip ATOM 369 NE2 HIS A 27 -11.663 1.411 10.604 1.00 0.00 N flip ATOM 0 H HIS A 27 -9.675 -1.637 5.759 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.097 0.773 6.416 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -11.617 -1.241 7.614 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.931 -1.549 7.983 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.477 1.302 8.633 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.369 0.907 12.229 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.238 2.144 11.020 1.00 0.00 H new ATOM 376 N THR A 28 -7.881 0.542 7.022 1.00 0.00 N ATOM 377 CA THR A 28 -6.698 1.303 7.403 1.00 0.00 C ATOM 378 C THR A 28 -6.644 2.639 6.670 1.00 0.00 C ATOM 379 O THR A 28 -6.387 3.679 7.277 1.00 0.00 O ATOM 380 CB THR A 28 -5.405 0.517 7.109 1.00 0.00 C ATOM 381 OG1 THR A 28 -5.661 -0.890 7.183 1.00 0.00 O ATOM 382 CG2 THR A 28 -4.309 0.891 8.096 1.00 0.00 C ATOM 0 H THR A 28 -7.684 -0.394 6.669 1.00 0.00 H new ATOM 0 HA THR A 28 -6.770 1.482 8.476 1.00 0.00 H new ATOM 0 HB THR A 28 -5.070 0.773 6.104 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.989 -1.315 7.756 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.406 0.324 7.869 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.097 1.957 8.018 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.638 0.660 9.109 1.00 0.00 H new ATOM 390 N ILE A 29 -6.888 2.602 5.365 1.00 0.00 N ATOM 391 CA ILE A 29 -6.869 3.811 4.550 1.00 0.00 C ATOM 392 C ILE A 29 -8.098 4.674 4.818 1.00 0.00 C ATOM 393 O ILE A 29 -7.983 5.864 5.109 1.00 0.00 O ATOM 394 CB ILE A 29 -6.806 3.478 3.048 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.502 2.747 2.720 1.00 0.00 C ATOM 396 CG2 ILE A 29 -6.932 4.747 2.219 1.00 0.00 C ATOM 397 CD1 ILE A 29 -5.572 1.254 2.953 1.00 0.00 C ATOM 0 H ILE A 29 -7.101 1.748 4.849 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.972 4.364 4.828 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.640 2.822 2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.243 2.932 1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.698 3.164 3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.886 4.496 1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.885 5.230 2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.116 5.426 2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.613 0.801 2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.800 1.060 4.001 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.353 0.824 2.326 1.00 0.00 H new ATOM 408 N GLY A 30 -9.275 4.064 4.718 1.00 0.00 N ATOM 409 CA GLY A 30 -10.509 4.790 4.953 1.00 0.00 C ATOM 410 C GLY A 30 -10.517 5.501 6.292 1.00 0.00 C ATOM 411 O GLY A 30 -10.909 6.664 6.381 1.00 0.00 O ATOM 0 H GLY A 30 -9.396 3.080 4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.655 5.520 4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.349 4.097 4.908 1.00 0.00 H new ATOM 415 N GLN A 31 -10.084 4.801 7.335 1.00 0.00 N ATOM 416 CA GLN A 31 -10.045 5.372 8.676 1.00 0.00 C ATOM 417 C GLN A 31 -8.914 6.386 8.803 1.00 0.00 C ATOM 418 O GLN A 31 -9.047 7.397 9.492 1.00 0.00 O ATOM 419 CB GLN A 31 -9.876 4.267 9.720 1.00 0.00 C ATOM 420 CG GLN A 31 -9.456 4.781 11.087 1.00 0.00 C ATOM 421 CD GLN A 31 -10.276 4.182 12.212 1.00 0.00 C ATOM 422 OE1 GLN A 31 -11.595 4.287 12.106 1.00 0.00 O flip ATOM 423 NE2 GLN A 31 -9.729 3.630 13.169 1.00 0.00 N flip ATOM 0 H GLN A 31 -9.755 3.837 7.277 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.990 5.886 8.852 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.816 3.725 9.818 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.132 3.554 9.365 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.403 4.553 11.249 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.554 5.866 11.109 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.712 3.571 13.211 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.294 3.232 13.919 1.00 0.00 H new ATOM 430 N ALA A 32 -7.800 6.109 8.132 1.00 0.00 N ATOM 431 CA ALA A 32 -6.645 6.998 8.169 1.00 0.00 C ATOM 432 C ALA A 32 -7.019 8.402 7.705 1.00 0.00 C ATOM 433 O ALA A 32 -6.653 9.391 8.339 1.00 0.00 O ATOM 434 CB ALA A 32 -5.520 6.438 7.311 1.00 0.00 C ATOM 0 H ALA A 32 -7.673 5.276 7.557 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.301 7.064 9.201 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.664 7.112 7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.227 5.459 7.689 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.862 6.342 6.280 1.00 0.00 H new ATOM 440 N GLU A 33 -7.746 8.480 6.596 1.00 0.00 N ATOM 441 CA GLU A 33 -8.166 9.764 6.047 1.00 0.00 C ATOM 442 C GLU A 33 -8.860 10.609 7.112 1.00 0.00 C ATOM 443 O GLU A 33 -8.700 11.829 7.150 1.00 0.00 O ATOM 444 CB GLU A 33 -9.104 9.552 4.857 1.00 0.00 C ATOM 445 CG GLU A 33 -9.228 10.770 3.955 1.00 0.00 C ATOM 446 CD GLU A 33 -10.664 11.059 3.561 1.00 0.00 C ATOM 447 OE1 GLU A 33 -11.342 10.133 3.069 1.00 0.00 O ATOM 448 OE2 GLU A 33 -11.107 12.212 3.744 1.00 0.00 O ATOM 0 H GLU A 33 -8.057 7.670 6.060 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.276 10.295 5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.744 8.709 4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.093 9.283 5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.813 11.639 4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.633 10.614 3.055 1.00 0.00 H new ATOM 453 N GLN A 34 -9.631 9.952 7.972 1.00 0.00 N ATOM 454 CA GLN A 34 -10.350 10.643 9.034 1.00 0.00 C ATOM 455 C GLN A 34 -9.408 11.529 9.842 1.00 0.00 C ATOM 456 O GLN A 34 -9.797 12.596 10.317 1.00 0.00 O ATOM 457 CB GLN A 34 -11.034 9.633 9.957 1.00 0.00 C ATOM 458 CG GLN A 34 -12.147 10.234 10.800 1.00 0.00 C ATOM 459 CD GLN A 34 -13.178 9.206 11.225 1.00 0.00 C ATOM 460 OE1 GLN A 34 -14.322 9.232 10.770 1.00 0.00 O ATOM 461 NE2 GLN A 34 -12.776 8.293 12.102 1.00 0.00 N ATOM 0 H GLN A 34 -9.773 8.942 7.954 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.108 11.275 8.572 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.444 8.822 9.354 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.287 9.193 10.617 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.716 10.698 11.687 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.640 11.025 10.234 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.818 8.309 12.453 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.425 7.575 12.425 1.00 0.00 H new ATOM 468 N ALA A 35 -8.166 11.081 9.993 1.00 0.00 N ATOM 469 CA ALA A 35 -7.167 11.835 10.742 1.00 0.00 C ATOM 470 C ALA A 35 -7.011 13.244 10.182 1.00 0.00 C ATOM 471 O ALA A 35 -7.013 14.223 10.930 1.00 0.00 O ATOM 472 CB ALA A 35 -5.832 11.105 10.722 1.00 0.00 C ATOM 0 H ALA A 35 -7.827 10.200 9.607 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.507 11.918 11.774 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.095 11.678 11.285 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.949 10.121 11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.494 10.992 9.692 1.00 0.00 H new ATOM 478 N ALA A 36 -6.874 13.342 8.864 1.00 0.00 N ATOM 479 CA ALA A 36 -6.718 14.632 8.205 1.00 0.00 C ATOM 480 C ALA A 36 -7.819 15.600 8.625 1.00 0.00 C ATOM 481 O ALA A 36 -7.557 16.771 8.899 1.00 0.00 O ATOM 482 CB ALA A 36 -6.717 14.456 6.693 1.00 0.00 C ATOM 0 H ALA A 36 -6.868 12.542 8.231 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.761 15.055 8.512 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.600 15.428 6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.891 13.806 6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.659 14.008 6.378 1.00 0.00 H new ATOM 488 N MET A 37 -9.051 15.103 8.673 1.00 0.00 N ATOM 489 CA MET A 37 -10.191 15.926 9.061 1.00 0.00 C ATOM 490 C MET A 37 -10.033 16.436 10.490 1.00 0.00 C ATOM 491 O MET A 37 -10.033 17.642 10.733 1.00 0.00 O ATOM 492 CB MET A 37 -11.490 15.128 8.933 1.00 0.00 C ATOM 493 CG MET A 37 -11.635 14.415 7.598 1.00 0.00 C ATOM 494 SD MET A 37 -13.139 14.880 6.721 1.00 0.00 S ATOM 495 CE MET A 37 -13.034 13.821 5.281 1.00 0.00 C ATOM 0 H MET A 37 -9.285 14.136 8.448 1.00 0.00 H new ATOM 0 HA MET A 37 -10.232 16.784 8.390 1.00 0.00 H new ATOM 0 HB2 MET A 37 -11.536 14.392 9.736 1.00 0.00 H new ATOM 0 HB3 MET A 37 -12.336 15.802 9.070 1.00 0.00 H new ATOM 0 HG2 MET A 37 -10.771 14.642 6.974 1.00 0.00 H new ATOM 0 HG3 MET A 37 -11.634 13.338 7.764 1.00 0.00 H new ATOM 0 HE1 MET A 37 -14.015 13.748 4.811 1.00 0.00 H new ATOM 0 HE2 MET A 37 -12.322 14.241 4.571 1.00 0.00 H new ATOM 0 HE3 MET A 37 -12.702 12.828 5.583 1.00 0.00 H new ATOM 503 N SER A 38 -9.898 15.507 11.433 1.00 0.00 N ATOM 504 CA SER A 38 -9.743 15.863 12.839 1.00 0.00 C ATOM 505 C SER A 38 -8.581 16.834 13.029 1.00 0.00 C ATOM 506 O SER A 38 -8.658 17.759 13.837 1.00 0.00 O ATOM 507 CB SER A 38 -9.517 14.607 13.682 1.00 0.00 C ATOM 508 OG SER A 38 -10.715 14.197 14.319 1.00 0.00 O ATOM 0 H SER A 38 -9.893 14.504 11.249 1.00 0.00 H new ATOM 0 HA SER A 38 -10.660 16.353 13.168 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.145 13.802 13.048 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.751 14.802 14.432 1.00 0.00 H new ATOM 0 HG SER A 38 -10.544 13.391 14.850 1.00 0.00 H new ATOM 513 N ALA A 39 -7.508 16.615 12.278 1.00 0.00 N ATOM 514 CA ALA A 39 -6.330 17.471 12.362 1.00 0.00 C ATOM 515 C ALA A 39 -6.601 18.838 11.744 1.00 0.00 C ATOM 516 O ALA A 39 -6.010 19.839 12.149 1.00 0.00 O ATOM 517 CB ALA A 39 -5.145 16.805 11.677 1.00 0.00 C ATOM 0 H ALA A 39 -7.429 15.853 11.605 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.091 17.618 13.415 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.272 17.454 11.747 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.930 15.854 12.165 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.383 16.629 10.628 1.00 0.00 H new ATOM 523 N GLN A 40 -7.494 18.872 10.761 1.00 0.00 N ATOM 524 CA GLN A 40 -7.841 20.119 10.087 1.00 0.00 C ATOM 525 C GLN A 40 -8.926 20.868 10.853 1.00 0.00 C ATOM 526 O GLN A 40 -9.265 22.002 10.516 1.00 0.00 O ATOM 527 CB GLN A 40 -8.311 19.836 8.659 1.00 0.00 C ATOM 528 CG GLN A 40 -8.354 21.073 7.776 1.00 0.00 C ATOM 529 CD GLN A 40 -7.422 20.974 6.586 1.00 0.00 C ATOM 530 OE1 GLN A 40 -6.229 20.708 6.737 1.00 0.00 O ATOM 531 NE2 GLN A 40 -7.962 21.187 5.391 1.00 0.00 N ATOM 0 H GLN A 40 -7.991 18.052 10.413 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.949 20.745 10.052 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.647 19.100 8.206 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.305 19.390 8.694 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.373 21.227 7.422 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.087 21.948 8.369 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.955 21.405 5.312 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.383 21.133 4.553 1.00 0.00 H new ATOM 538 N ALA A 41 -9.466 20.228 11.885 1.00 0.00 N ATOM 539 CA ALA A 41 -10.510 20.835 12.699 1.00 0.00 C ATOM 540 C ALA A 41 -10.038 22.154 13.303 1.00 0.00 C ATOM 541 O ALA A 41 -10.849 23.008 13.662 1.00 0.00 O ATOM 542 CB ALA A 41 -10.948 19.877 13.796 1.00 0.00 C ATOM 0 H ALA A 41 -9.197 19.288 12.177 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.363 21.045 12.054 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.729 20.344 14.397 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.334 18.962 13.347 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.096 19.638 14.432 1.00 0.00 H new ATOM 548 N PHE A 42 -8.724 22.312 13.412 1.00 0.00 N ATOM 549 CA PHE A 42 -8.144 23.526 13.974 1.00 0.00 C ATOM 550 C PHE A 42 -8.708 24.766 13.288 1.00 0.00 C ATOM 551 O PHE A 42 -8.837 25.826 13.902 1.00 0.00 O ATOM 552 CB PHE A 42 -6.620 23.501 13.836 1.00 0.00 C ATOM 553 CG PHE A 42 -6.140 23.793 12.443 1.00 0.00 C ATOM 554 CD1 PHE A 42 -6.321 22.868 11.427 1.00 0.00 C ATOM 555 CD2 PHE A 42 -5.509 24.990 12.149 1.00 0.00 C ATOM 556 CE1 PHE A 42 -5.878 23.133 10.144 1.00 0.00 C ATOM 557 CE2 PHE A 42 -5.066 25.261 10.869 1.00 0.00 C ATOM 558 CZ PHE A 42 -5.252 24.331 9.865 1.00 0.00 C ATOM 0 H PHE A 42 -8.040 21.615 13.119 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.405 23.567 15.032 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.189 24.231 14.521 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.251 22.522 14.141 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.813 21.930 11.639 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.361 25.721 12.930 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.022 22.403 9.361 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.575 26.199 10.654 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.908 24.541 8.863 1.00 0.00 H new ATOM 567 N HIS A 43 -9.041 24.627 12.008 1.00 0.00 N ATOM 568 CA HIS A 43 -9.591 25.736 11.236 1.00 0.00 C ATOM 569 C HIS A 43 -9.994 25.278 9.838 1.00 0.00 C ATOM 570 O HIS A 43 -9.166 25.234 8.928 1.00 0.00 O ATOM 571 CB HIS A 43 -8.574 26.873 11.140 1.00 0.00 C ATOM 572 CG HIS A 43 -9.197 28.218 10.933 1.00 0.00 C ATOM 573 ND1 HIS A 43 -8.854 29.055 9.891 1.00 0.00 N ATOM 574 CD2 HIS A 43 -10.148 28.872 11.639 1.00 0.00 C ATOM 575 CE1 HIS A 43 -9.565 30.165 9.966 1.00 0.00 C ATOM 576 NE2 HIS A 43 -10.361 30.079 11.018 1.00 0.00 N ATOM 0 H HIS A 43 -8.940 23.758 11.484 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.481 26.098 11.751 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.978 26.894 12.052 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -7.889 26.668 10.317 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.647 28.512 12.526 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.506 31.001 9.284 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.025 30.792 11.319 1.00 0.00 H new ATOM 583 N GLN A 44 -11.267 24.936 9.675 1.00 0.00 N ATOM 584 CA GLN A 44 -11.777 24.480 8.388 1.00 0.00 C ATOM 585 C GLN A 44 -12.194 25.660 7.517 1.00 0.00 C ATOM 586 O GLN A 44 -13.286 26.206 7.674 1.00 0.00 O ATOM 587 CB GLN A 44 -12.965 23.536 8.591 1.00 0.00 C ATOM 588 CG GLN A 44 -12.816 22.206 7.872 1.00 0.00 C ATOM 589 CD GLN A 44 -13.400 22.230 6.473 1.00 0.00 C ATOM 590 OE1 GLN A 44 -14.606 22.400 6.294 1.00 0.00 O ATOM 591 NE2 GLN A 44 -12.544 22.060 5.471 1.00 0.00 N ATOM 0 H GLN A 44 -11.965 24.966 10.418 1.00 0.00 H new ATOM 0 HA GLN A 44 -10.977 23.942 7.880 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -13.093 23.350 9.657 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -13.873 24.028 8.242 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -11.759 21.944 7.816 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.308 21.426 8.453 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.552 21.922 5.665 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -12.879 22.067 4.508 1.00 0.00 H new ATOM 598 N GLY A 45 -11.315 26.051 6.600 1.00 0.00 N ATOM 599 CA GLY A 45 -11.610 27.166 5.717 1.00 0.00 C ATOM 600 C GLY A 45 -12.213 26.719 4.400 1.00 0.00 C ATOM 601 O GLY A 45 -13.056 25.824 4.369 1.00 0.00 O ATOM 0 H GLY A 45 -10.404 25.616 6.452 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.299 27.848 6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.694 27.724 5.523 1.00 0.00 H new ATOM 605 N GLU A 46 -11.780 27.347 3.311 1.00 0.00 N ATOM 606 CA GLU A 46 -12.285 27.010 1.985 1.00 0.00 C ATOM 607 C GLU A 46 -11.150 26.960 0.966 1.00 0.00 C ATOM 608 O GLU A 46 -11.363 27.174 -0.227 1.00 0.00 O ATOM 609 CB GLU A 46 -13.338 28.028 1.543 1.00 0.00 C ATOM 610 CG GLU A 46 -14.360 28.355 2.618 1.00 0.00 C ATOM 611 CD GLU A 46 -15.688 28.808 2.045 1.00 0.00 C ATOM 612 OE1 GLU A 46 -15.689 29.737 1.211 1.00 0.00 O ATOM 613 OE2 GLU A 46 -16.727 28.230 2.429 1.00 0.00 O ATOM 0 H GLU A 46 -11.082 28.091 3.321 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.744 26.023 2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.837 28.947 1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.857 27.643 0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -14.519 27.475 3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.963 29.137 3.265 1.00 0.00 H new ATOM 618 N SER A 47 -9.943 26.678 1.448 1.00 0.00 N ATOM 619 CA SER A 47 -8.773 26.605 0.581 1.00 0.00 C ATOM 620 C SER A 47 -8.077 25.254 0.722 1.00 0.00 C ATOM 621 O SER A 47 -7.605 24.896 1.800 1.00 0.00 O ATOM 622 CB SER A 47 -7.794 27.732 0.913 1.00 0.00 C ATOM 623 OG SER A 47 -7.815 28.034 2.297 1.00 0.00 O ATOM 0 H SER A 47 -9.750 26.497 2.433 1.00 0.00 H new ATOM 0 HA SER A 47 -9.108 26.717 -0.450 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.786 27.442 0.616 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.051 28.622 0.339 1.00 0.00 H new ATOM 0 HG SER A 47 -7.180 28.756 2.484 1.00 0.00 H new ATOM 628 N SER A 48 -8.017 24.509 -0.378 1.00 0.00 N ATOM 629 CA SER A 48 -7.382 23.196 -0.378 1.00 0.00 C ATOM 630 C SER A 48 -6.738 22.904 -1.729 1.00 0.00 C ATOM 631 O SER A 48 -7.039 21.897 -2.368 1.00 0.00 O ATOM 632 CB SER A 48 -8.407 22.110 -0.043 1.00 0.00 C ATOM 633 OG SER A 48 -9.026 22.361 1.207 1.00 0.00 O ATOM 0 H SER A 48 -8.400 24.792 -1.280 1.00 0.00 H new ATOM 0 HA SER A 48 -6.602 23.197 0.384 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.165 22.067 -0.825 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.916 21.137 -0.021 1.00 0.00 H new ATOM 0 HG SER A 48 -9.678 21.654 1.397 1.00 0.00 H new ATOM 638 N ALA A 49 -5.849 23.794 -2.158 1.00 0.00 N ATOM 639 CA ALA A 49 -5.160 23.632 -3.433 1.00 0.00 C ATOM 640 C ALA A 49 -4.128 22.512 -3.360 1.00 0.00 C ATOM 641 O ALA A 49 -4.177 21.558 -4.135 1.00 0.00 O ATOM 642 CB ALA A 49 -4.497 24.938 -3.843 1.00 0.00 C ATOM 0 H ALA A 49 -5.589 24.634 -1.642 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.899 23.360 -4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.986 24.803 -4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.255 25.715 -3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.774 25.233 -3.083 1.00 0.00 H new ATOM 648 N ALA A 50 -3.191 22.637 -2.424 1.00 0.00 N ATOM 649 CA ALA A 50 -2.148 21.634 -2.250 1.00 0.00 C ATOM 650 C ALA A 50 -2.681 20.409 -1.514 1.00 0.00 C ATOM 651 O ALA A 50 -2.175 19.300 -1.688 1.00 0.00 O ATOM 652 CB ALA A 50 -0.964 22.229 -1.500 1.00 0.00 C ATOM 0 H ALA A 50 -3.134 23.422 -1.776 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.816 21.315 -3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.192 21.469 -1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.560 23.069 -2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.291 22.576 -0.520 1.00 0.00 H new ATOM 658 N PHE A 51 -3.704 20.617 -0.692 1.00 0.00 N ATOM 659 CA PHE A 51 -4.304 19.529 0.072 1.00 0.00 C ATOM 660 C PHE A 51 -5.011 18.542 -0.853 1.00 0.00 C ATOM 661 O PHE A 51 -5.029 17.339 -0.594 1.00 0.00 O ATOM 662 CB PHE A 51 -5.293 20.084 1.098 1.00 0.00 C ATOM 663 CG PHE A 51 -6.075 19.018 1.813 1.00 0.00 C ATOM 664 CD1 PHE A 51 -7.261 18.538 1.284 1.00 0.00 C ATOM 665 CD2 PHE A 51 -5.623 18.500 3.016 1.00 0.00 C ATOM 666 CE1 PHE A 51 -7.983 17.557 1.939 1.00 0.00 C ATOM 667 CE2 PHE A 51 -6.339 17.519 3.676 1.00 0.00 C ATOM 668 CZ PHE A 51 -7.522 17.048 3.138 1.00 0.00 C ATOM 0 H PHE A 51 -4.135 21.529 -0.538 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.507 19.002 0.596 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.748 20.678 1.832 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.987 20.757 0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.627 18.935 0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.701 18.867 3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.905 17.189 1.514 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.974 17.121 4.611 1.00 0.00 H new ATOM 0 HZ PHE A 51 -8.085 16.284 3.654 1.00 0.00 H new ATOM 677 N GLN A 52 -5.594 19.061 -1.928 1.00 0.00 N ATOM 678 CA GLN A 52 -6.304 18.226 -2.890 1.00 0.00 C ATOM 679 C GLN A 52 -5.331 17.353 -3.676 1.00 0.00 C ATOM 680 O GLN A 52 -5.479 16.132 -3.726 1.00 0.00 O ATOM 681 CB GLN A 52 -7.118 19.096 -3.850 1.00 0.00 C ATOM 682 CG GLN A 52 -7.899 18.297 -4.880 1.00 0.00 C ATOM 683 CD GLN A 52 -9.347 18.087 -4.480 1.00 0.00 C ATOM 684 OE1 GLN A 52 -10.099 19.045 -4.305 1.00 0.00 O ATOM 685 NE2 GLN A 52 -9.743 16.828 -4.335 1.00 0.00 N ATOM 0 H GLN A 52 -5.589 20.055 -2.155 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.982 17.575 -2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.812 19.707 -3.273 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.445 19.780 -4.367 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.862 18.814 -5.839 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.421 17.328 -5.021 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.084 16.065 -4.491 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.706 16.624 -4.068 1.00 0.00 H new ATOM 692 N ALA A 53 -4.337 17.987 -4.289 1.00 0.00 N ATOM 693 CA ALA A 53 -3.339 17.269 -5.071 1.00 0.00 C ATOM 694 C ALA A 53 -2.739 16.118 -4.270 1.00 0.00 C ATOM 695 O ALA A 53 -2.367 15.088 -4.830 1.00 0.00 O ATOM 696 CB ALA A 53 -2.246 18.219 -5.534 1.00 0.00 C ATOM 0 H ALA A 53 -4.202 18.998 -4.259 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.833 16.849 -5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.508 17.668 -6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.683 19.004 -6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.762 18.667 -4.666 1.00 0.00 H new ATOM 702 N ALA A 54 -2.645 16.303 -2.958 1.00 0.00 N ATOM 703 CA ALA A 54 -2.090 15.279 -2.079 1.00 0.00 C ATOM 704 C ALA A 54 -3.105 14.171 -1.819 1.00 0.00 C ATOM 705 O ALA A 54 -2.739 13.004 -1.668 1.00 0.00 O ATOM 706 CB ALA A 54 -1.635 15.901 -0.767 1.00 0.00 C ATOM 0 H ALA A 54 -2.946 17.152 -2.479 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.227 14.836 -2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.223 15.126 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.870 16.652 -0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.485 16.371 -0.273 1.00 0.00 H new ATOM 712 N HIS A 55 -4.380 14.542 -1.765 1.00 0.00 N ATOM 713 CA HIS A 55 -5.447 13.579 -1.522 1.00 0.00 C ATOM 714 C HIS A 55 -5.660 12.684 -2.740 1.00 0.00 C ATOM 715 O HIS A 55 -5.980 11.504 -2.608 1.00 0.00 O ATOM 716 CB HIS A 55 -6.747 14.302 -1.173 1.00 0.00 C ATOM 717 CG HIS A 55 -7.916 13.383 -0.994 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.638 12.682 -1.899 1.00 0.00 N flip ATOM 719 CD2 HIS A 55 -8.468 13.100 0.238 1.00 0.00 C flip ATOM 720 CE1 HIS A 55 -9.603 11.994 -1.204 1.00 0.00 C flip ATOM 721 NE2 HIS A 55 -9.479 12.263 0.083 1.00 0.00 N flip ATOM 0 H HIS A 55 -4.699 15.503 -1.886 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.152 12.953 -0.680 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.600 14.872 -0.256 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.977 15.019 -1.961 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.127 13.500 1.182 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.343 11.339 -1.640 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.064 11.889 0.830 1.00 0.00 H new ATOM 728 N ALA A 56 -5.479 13.257 -3.926 1.00 0.00 N ATOM 729 CA ALA A 56 -5.650 12.512 -5.168 1.00 0.00 C ATOM 730 C ALA A 56 -4.507 11.525 -5.378 1.00 0.00 C ATOM 731 O ALA A 56 -4.691 10.466 -5.977 1.00 0.00 O ATOM 732 CB ALA A 56 -5.749 13.467 -6.347 1.00 0.00 C ATOM 0 H ALA A 56 -5.214 14.234 -4.053 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.577 11.943 -5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.876 12.897 -7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.604 14.129 -6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.837 14.061 -6.411 1.00 0.00 H new ATOM 738 N ARG A 57 -3.327 11.880 -4.880 1.00 0.00 N ATOM 739 CA ARG A 57 -2.153 11.026 -5.015 1.00 0.00 C ATOM 740 C ARG A 57 -2.340 9.719 -4.250 1.00 0.00 C ATOM 741 O ARG A 57 -1.933 8.653 -4.711 1.00 0.00 O ATOM 742 CB ARG A 57 -0.905 11.752 -4.508 1.00 0.00 C ATOM 743 CG ARG A 57 -0.241 12.627 -5.558 1.00 0.00 C ATOM 744 CD ARG A 57 1.110 13.139 -5.083 1.00 0.00 C ATOM 745 NE ARG A 57 2.216 12.373 -5.652 1.00 0.00 N ATOM 746 CZ ARG A 57 3.475 12.795 -5.659 1.00 0.00 C ATOM 747 NH1 ARG A 57 3.787 13.971 -5.131 1.00 0.00 N ATOM 748 NH2 ARG A 57 4.426 12.041 -6.195 1.00 0.00 N ATOM 0 H ARG A 57 -3.159 12.753 -4.380 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.025 10.793 -6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.177 12.369 -3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.185 11.015 -4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.112 12.058 -6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.889 13.471 -5.793 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.217 14.188 -5.357 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.155 13.088 -3.995 1.00 0.00 H new ATOM 0 HE ARG A 57 2.010 11.464 -6.067 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.059 14.554 -4.718 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.755 14.292 -5.138 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.190 11.136 -6.602 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.393 12.366 -6.200 1.00 0.00 H new ATOM 759 N PHE A 58 -2.958 9.810 -3.077 1.00 0.00 N ATOM 760 CA PHE A 58 -3.198 8.636 -2.246 1.00 0.00 C ATOM 761 C PHE A 58 -4.171 7.677 -2.926 1.00 0.00 C ATOM 762 O PHE A 58 -3.871 6.499 -3.112 1.00 0.00 O ATOM 763 CB PHE A 58 -3.748 9.055 -0.881 1.00 0.00 C ATOM 764 CG PHE A 58 -3.610 7.992 0.172 1.00 0.00 C ATOM 765 CD1 PHE A 58 -4.286 6.789 0.053 1.00 0.00 C ATOM 766 CD2 PHE A 58 -2.805 8.198 1.281 1.00 0.00 C ATOM 767 CE1 PHE A 58 -4.162 5.809 1.020 1.00 0.00 C ATOM 768 CE2 PHE A 58 -2.676 7.222 2.251 1.00 0.00 C ATOM 769 CZ PHE A 58 -3.356 6.027 2.121 1.00 0.00 C ATOM 0 H PHE A 58 -3.302 10.685 -2.680 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.247 8.122 -2.105 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.228 9.954 -0.549 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.801 9.316 -0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.918 6.615 -0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.273 9.131 1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.694 4.875 0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.044 7.394 3.110 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.258 5.264 2.879 1.00 0.00 H new ATOM 778 N VAL A 59 -5.339 8.194 -3.296 1.00 0.00 N ATOM 779 CA VAL A 59 -6.357 7.385 -3.956 1.00 0.00 C ATOM 780 C VAL A 59 -5.822 6.773 -5.246 1.00 0.00 C ATOM 781 O VAL A 59 -6.202 5.665 -5.624 1.00 0.00 O ATOM 782 CB VAL A 59 -7.613 8.217 -4.278 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.232 9.501 -4.999 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.594 7.400 -5.105 1.00 0.00 C ATOM 0 H VAL A 59 -5.603 9.168 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.626 6.588 -3.263 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.100 8.487 -3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.132 10.076 -5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.570 10.091 -4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.721 9.257 -5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.476 8.003 -5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.120 7.098 -6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.891 6.513 -4.546 1.00 0.00 H new ATOM 794 N ALA A 60 -4.937 7.503 -5.917 1.00 0.00 N ATOM 795 CA ALA A 60 -4.346 7.031 -7.164 1.00 0.00 C ATOM 796 C ALA A 60 -3.565 5.739 -6.947 1.00 0.00 C ATOM 797 O ALA A 60 -3.605 4.832 -7.776 1.00 0.00 O ATOM 798 CB ALA A 60 -3.445 8.102 -7.759 1.00 0.00 C ATOM 0 H ALA A 60 -4.613 8.423 -5.618 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.154 6.822 -7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.011 7.736 -8.689 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.030 8.999 -7.960 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.648 8.339 -7.055 1.00 0.00 H new ATOM 804 N ALA A 61 -2.853 5.665 -5.827 1.00 0.00 N ATOM 805 CA ALA A 61 -2.063 4.485 -5.501 1.00 0.00 C ATOM 806 C ALA A 61 -2.943 3.373 -4.940 1.00 0.00 C ATOM 807 O ALA A 61 -2.681 2.190 -5.158 1.00 0.00 O ATOM 808 CB ALA A 61 -0.964 4.842 -4.511 1.00 0.00 C ATOM 0 H ALA A 61 -2.807 6.409 -5.130 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.604 4.120 -6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.382 3.951 -4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.311 5.597 -4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.411 5.234 -3.597 1.00 0.00 H new ATOM 814 N ALA A 62 -3.987 3.760 -4.214 1.00 0.00 N ATOM 815 CA ALA A 62 -4.906 2.797 -3.622 1.00 0.00 C ATOM 816 C ALA A 62 -5.409 1.805 -4.665 1.00 0.00 C ATOM 817 O ALA A 62 -5.598 0.624 -4.373 1.00 0.00 O ATOM 818 CB ALA A 62 -6.077 3.516 -2.968 1.00 0.00 C ATOM 0 H ALA A 62 -4.217 4.735 -4.022 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.364 2.239 -2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.755 2.783 -2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.706 4.180 -2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.610 4.101 -3.718 1.00 0.00 H new ATOM 824 N ALA A 63 -5.622 2.292 -5.883 1.00 0.00 N ATOM 825 CA ALA A 63 -6.103 1.448 -6.970 1.00 0.00 C ATOM 826 C ALA A 63 -5.171 0.261 -7.195 1.00 0.00 C ATOM 827 O ALA A 63 -5.608 -0.815 -7.605 1.00 0.00 O ATOM 828 CB ALA A 63 -6.240 2.261 -8.248 1.00 0.00 C ATOM 0 H ALA A 63 -5.469 3.267 -6.142 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.083 1.061 -6.691 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.600 1.618 -9.051 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.949 3.073 -8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.269 2.675 -8.522 1.00 0.00 H new ATOM 834 N LYS A 64 -3.887 0.463 -6.924 1.00 0.00 N ATOM 835 CA LYS A 64 -2.893 -0.591 -7.095 1.00 0.00 C ATOM 836 C LYS A 64 -3.003 -1.629 -5.984 1.00 0.00 C ATOM 837 O LYS A 64 -3.005 -2.833 -6.242 1.00 0.00 O ATOM 838 CB LYS A 64 -1.484 0.006 -7.112 1.00 0.00 C ATOM 839 CG LYS A 64 -0.579 -0.601 -8.171 1.00 0.00 C ATOM 840 CD LYS A 64 -0.491 -2.111 -8.029 1.00 0.00 C ATOM 841 CE LYS A 64 0.417 -2.718 -9.088 1.00 0.00 C ATOM 842 NZ LYS A 64 0.050 -2.265 -10.458 1.00 0.00 N ATOM 0 H LYS A 64 -3.509 1.348 -6.585 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.084 -1.084 -8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.556 1.081 -7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.027 -0.134 -6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.957 -0.349 -9.162 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.418 -0.168 -8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.115 -2.363 -7.038 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.488 -2.544 -8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.451 -2.444 -8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.358 -3.805 -9.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.225 -3.034 -11.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.957 -2.007 -10.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.625 -1.438 -10.716 1.00 0.00 H new ATOM 852 N VAL A 65 -3.096 -1.155 -4.745 1.00 0.00 N ATOM 853 CA VAL A 65 -3.210 -2.042 -3.593 1.00 0.00 C ATOM 854 C VAL A 65 -4.530 -2.805 -3.616 1.00 0.00 C ATOM 855 O VAL A 65 -4.580 -3.989 -3.282 1.00 0.00 O ATOM 856 CB VAL A 65 -3.103 -1.261 -2.270 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.010 -2.217 -1.091 1.00 0.00 C ATOM 858 CG2 VAL A 65 -1.907 -0.322 -2.301 1.00 0.00 C ATOM 0 H VAL A 65 -3.095 -0.162 -4.514 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.383 -2.750 -3.655 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.005 -0.660 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.935 -1.647 -0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.901 -2.844 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.127 -2.847 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.847 0.222 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.994 -0.900 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.022 0.386 -3.122 1.00 0.00 H new ATOM 868 N ASN A 66 -5.597 -2.119 -4.011 1.00 0.00 N ATOM 869 CA ASN A 66 -6.919 -2.733 -4.077 1.00 0.00 C ATOM 870 C ASN A 66 -6.962 -3.819 -5.147 1.00 0.00 C ATOM 871 O ASN A 66 -7.444 -4.926 -4.905 1.00 0.00 O ATOM 872 CB ASN A 66 -7.982 -1.671 -4.367 1.00 0.00 C ATOM 873 CG ASN A 66 -9.220 -2.257 -5.020 1.00 0.00 C ATOM 874 OD1 ASN A 66 -10.175 -2.632 -4.339 1.00 0.00 O ATOM 875 ND2 ASN A 66 -9.208 -2.338 -6.344 1.00 0.00 N ATOM 0 H ASN A 66 -5.573 -1.138 -4.290 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.128 -3.193 -3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.264 -1.179 -3.436 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.559 -0.905 -5.017 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.012 -2.723 -6.839 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.394 -2.015 -6.867 1.00 0.00 H new ATOM 881 N THR A 67 -6.454 -3.494 -6.332 1.00 0.00 N ATOM 882 CA THR A 67 -6.435 -4.441 -7.440 1.00 0.00 C ATOM 883 C THR A 67 -5.560 -5.647 -7.117 1.00 0.00 C ATOM 884 O THR A 67 -5.853 -6.768 -7.536 1.00 0.00 O ATOM 885 CB THR A 67 -5.922 -3.781 -8.734 1.00 0.00 C ATOM 886 OG1 THR A 67 -6.789 -2.707 -9.114 1.00 0.00 O ATOM 887 CG2 THR A 67 -5.838 -4.797 -9.864 1.00 0.00 C ATOM 0 H THR A 67 -6.051 -2.583 -6.549 1.00 0.00 H new ATOM 0 HA THR A 67 -7.463 -4.771 -7.592 1.00 0.00 H new ATOM 0 HB THR A 67 -4.923 -3.390 -8.544 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.426 -1.860 -8.781 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.473 -4.307 -10.767 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.153 -5.597 -9.583 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.827 -5.215 -10.052 1.00 0.00 H new ATOM 895 N LEU A 68 -4.488 -5.412 -6.369 1.00 0.00 N ATOM 896 CA LEU A 68 -3.571 -6.480 -5.989 1.00 0.00 C ATOM 897 C LEU A 68 -4.165 -7.336 -4.874 1.00 0.00 C ATOM 898 O LEU A 68 -3.840 -8.517 -4.743 1.00 0.00 O ATOM 899 CB LEU A 68 -2.232 -5.894 -5.539 1.00 0.00 C ATOM 900 CG LEU A 68 -1.324 -5.366 -6.651 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.063 -4.752 -6.062 1.00 0.00 C ATOM 902 CD2 LEU A 68 -0.973 -6.478 -7.627 1.00 0.00 C ATOM 0 H LEU A 68 -4.232 -4.491 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.408 -7.113 -6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.430 -5.080 -4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.689 -6.661 -4.987 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.862 -4.590 -7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.572 -4.381 -6.867 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.334 -3.926 -5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.478 -5.508 -5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.327 -6.083 -8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.455 -7.277 -7.097 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.886 -6.872 -8.074 1.00 0.00 H new ATOM 913 N LEU A 69 -5.039 -6.734 -4.075 1.00 0.00 N ATOM 914 CA LEU A 69 -5.680 -7.441 -2.972 1.00 0.00 C ATOM 915 C LEU A 69 -6.720 -8.431 -3.491 1.00 0.00 C ATOM 916 O LEU A 69 -6.970 -9.465 -2.872 1.00 0.00 O ATOM 917 CB LEU A 69 -6.339 -6.445 -2.016 1.00 0.00 C ATOM 918 CG LEU A 69 -5.516 -6.047 -0.790 1.00 0.00 C ATOM 919 CD1 LEU A 69 -6.258 -5.007 0.035 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.194 -7.270 0.056 1.00 0.00 C ATOM 0 H LEU A 69 -5.320 -5.758 -4.170 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.912 -7.997 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.581 -5.541 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.282 -6.870 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.578 -5.609 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.658 -4.736 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.438 -4.121 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.211 -5.418 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.608 -6.968 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.121 -7.737 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.622 -7.983 -0.538 1.00 0.00 H new ATOM 931 N ASP A 70 -7.321 -8.104 -4.629 1.00 0.00 N ATOM 932 CA ASP A 70 -8.332 -8.966 -5.233 1.00 0.00 C ATOM 933 C ASP A 70 -7.681 -10.126 -5.979 1.00 0.00 C ATOM 934 O ASP A 70 -8.020 -11.289 -5.758 1.00 0.00 O ATOM 935 CB ASP A 70 -9.215 -8.160 -6.187 1.00 0.00 C ATOM 936 CG ASP A 70 -10.484 -8.898 -6.565 1.00 0.00 C ATOM 937 OD1 ASP A 70 -10.408 -9.813 -7.413 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.552 -8.562 -6.013 1.00 0.00 O ATOM 0 H ASP A 70 -7.127 -7.250 -5.152 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.952 -9.374 -4.434 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.476 -7.210 -5.721 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.651 -7.927 -7.090 1.00 0.00 H new ATOM 942 N VAL A 71 -6.746 -9.803 -6.866 1.00 0.00 N ATOM 943 CA VAL A 71 -6.047 -10.817 -7.646 1.00 0.00 C ATOM 944 C VAL A 71 -5.326 -11.807 -6.739 1.00 0.00 C ATOM 945 O VAL A 71 -5.203 -12.988 -7.063 1.00 0.00 O ATOM 946 CB VAL A 71 -5.026 -10.183 -8.609 1.00 0.00 C ATOM 947 CG1 VAL A 71 -5.723 -9.243 -9.582 1.00 0.00 C ATOM 948 CG2 VAL A 71 -3.945 -9.450 -7.830 1.00 0.00 C ATOM 0 H VAL A 71 -6.455 -8.846 -7.063 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.803 -11.344 -8.228 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.552 -10.978 -9.185 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.986 -8.804 -10.255 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.458 -9.800 -10.163 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.224 -8.451 -9.026 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.232 -9.008 -8.526 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.400 -8.663 -7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.427 -10.153 -7.177 1.00 0.00 H new ATOM 958 N ALA A 72 -4.849 -11.318 -5.598 1.00 0.00 N ATOM 959 CA ALA A 72 -4.142 -12.160 -4.642 1.00 0.00 C ATOM 960 C ALA A 72 -5.040 -13.278 -4.125 1.00 0.00 C ATOM 961 O ALA A 72 -4.656 -14.447 -4.129 1.00 0.00 O ATOM 962 CB ALA A 72 -3.622 -11.321 -3.484 1.00 0.00 C ATOM 0 H ALA A 72 -4.940 -10.343 -5.314 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.296 -12.617 -5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.096 -11.963 -2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.938 -10.562 -3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.459 -10.837 -2.981 1.00 0.00 H new ATOM 968 N GLN A 73 -6.237 -12.912 -3.681 1.00 0.00 N ATOM 969 CA GLN A 73 -7.190 -13.885 -3.158 1.00 0.00 C ATOM 970 C GLN A 73 -7.762 -14.743 -4.283 1.00 0.00 C ATOM 971 O GLN A 73 -8.046 -15.925 -4.092 1.00 0.00 O ATOM 972 CB GLN A 73 -8.323 -13.175 -2.416 1.00 0.00 C ATOM 973 CG GLN A 73 -7.843 -12.290 -1.277 1.00 0.00 C ATOM 974 CD GLN A 73 -8.771 -11.120 -1.016 1.00 0.00 C ATOM 975 OE1 GLN A 73 -9.236 -10.462 -1.947 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.046 -10.856 0.256 1.00 0.00 N ATOM 0 H GLN A 73 -6.571 -11.948 -3.673 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.662 -14.535 -2.461 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.886 -12.568 -3.125 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.011 -13.922 -2.020 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.754 -12.888 -0.370 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.847 -11.914 -1.509 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.638 -11.428 0.995 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.665 -10.081 0.494 1.00 0.00 H new ATOM 983 N ALA A 74 -7.929 -14.139 -5.455 1.00 0.00 N ATOM 984 CA ALA A 74 -8.465 -14.848 -6.610 1.00 0.00 C ATOM 985 C ALA A 74 -7.475 -15.887 -7.125 1.00 0.00 C ATOM 986 O ALA A 74 -7.867 -16.966 -7.567 1.00 0.00 O ATOM 987 CB ALA A 74 -8.824 -13.863 -7.713 1.00 0.00 C ATOM 0 H ALA A 74 -7.701 -13.160 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.369 -15.371 -6.298 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.223 -14.406 -8.570 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.574 -13.163 -7.346 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.932 -13.314 -8.015 1.00 0.00 H new ATOM 993 N ASN A 75 -6.190 -15.552 -7.067 1.00 0.00 N ATOM 994 CA ASN A 75 -5.144 -16.456 -7.529 1.00 0.00 C ATOM 995 C ASN A 75 -4.820 -17.503 -6.468 1.00 0.00 C ATOM 996 O ASN A 75 -4.611 -18.676 -6.779 1.00 0.00 O ATOM 997 CB ASN A 75 -3.882 -15.669 -7.887 1.00 0.00 C ATOM 998 CG ASN A 75 -3.965 -15.036 -9.263 1.00 0.00 C ATOM 999 OD1 ASN A 75 -5.057 -14.326 -9.523 1.00 0.00 O flip ATOM 1000 ND2 ASN A 75 -3.057 -15.184 -10.082 1.00 0.00 N flip ATOM 0 H ASN A 75 -5.849 -14.662 -6.705 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.510 -16.968 -8.419 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.719 -14.891 -7.141 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.019 -16.334 -7.848 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -2.236 -15.738 -9.839 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.126 -14.752 -11.004 1.00 0.00 H new ATOM 1006 N LEU A 76 -4.779 -17.070 -5.212 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.482 -17.968 -4.102 1.00 0.00 C ATOM 1008 C LEU A 76 -5.661 -18.895 -3.822 1.00 0.00 C ATOM 1009 O LEU A 76 -5.480 -20.027 -3.372 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.141 -17.165 -2.846 1.00 0.00 C ATOM 1011 CG LEU A 76 -2.794 -16.441 -2.859 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -2.572 -15.703 -1.547 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -1.662 -17.424 -3.117 1.00 0.00 C ATOM 0 H LEU A 76 -4.948 -16.102 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.622 -18.577 -4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.927 -16.426 -2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.160 -17.840 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.805 -15.710 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.609 -15.194 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.366 -14.970 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.582 -16.416 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.711 -16.891 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.650 -18.179 -2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.813 -17.907 -4.082 1.00 0.00 H new ATOM 1024 N GLY A 77 -6.868 -18.409 -4.091 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.058 -19.207 -3.863 1.00 0.00 C ATOM 1026 C GLY A 77 -8.412 -19.314 -2.393 1.00 0.00 C ATOM 1027 O GLY A 77 -9.382 -18.710 -1.937 1.00 0.00 O ATOM 0 H GLY A 77 -7.043 -17.476 -4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.896 -18.767 -4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.905 -20.206 -4.270 1.00 0.00 H new ATOM 1031 N GLU A 78 -7.624 -20.085 -1.651 1.00 0.00 N ATOM 1032 CA GLU A 78 -7.862 -20.271 -0.224 1.00 0.00 C ATOM 1033 C GLU A 78 -7.993 -18.926 0.485 1.00 0.00 C ATOM 1034 O GLU A 78 -8.786 -18.776 1.413 1.00 0.00 O ATOM 1035 CB GLU A 78 -6.726 -21.082 0.404 1.00 0.00 C ATOM 1036 CG GLU A 78 -6.671 -22.522 -0.075 1.00 0.00 C ATOM 1037 CD GLU A 78 -5.546 -23.309 0.571 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -4.803 -22.723 1.385 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -5.410 -24.511 0.260 1.00 0.00 O ATOM 0 H GLU A 78 -6.816 -20.591 -2.014 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.798 -20.818 -0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.776 -20.596 0.179 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.840 -21.072 1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.622 -23.010 0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.545 -22.536 -1.158 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.209 -17.950 0.039 1.00 0.00 N ATOM 1045 CA ALA A 79 -7.238 -16.617 0.628 1.00 0.00 C ATOM 1046 C ALA A 79 -8.661 -16.071 0.681 1.00 0.00 C ATOM 1047 O ALA A 79 -9.165 -15.727 1.749 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.337 -15.674 -0.154 1.00 0.00 C ATOM 0 H ALA A 79 -6.546 -18.058 -0.728 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.867 -16.691 1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.369 -14.682 0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.314 -16.049 -0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.682 -15.614 -1.186 1.00 0.00 H new ATOM 1054 N ALA A 80 -9.303 -15.992 -0.480 1.00 0.00 N ATOM 1055 CA ALA A 80 -10.668 -15.489 -0.567 1.00 0.00 C ATOM 1056 C ALA A 80 -11.188 -15.552 -1.998 1.00 0.00 C ATOM 1057 O ALA A 80 -10.411 -15.535 -2.952 1.00 0.00 O ATOM 1058 CB ALA A 80 -10.739 -14.063 -0.039 1.00 0.00 C ATOM 0 H ALA A 80 -8.899 -16.270 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 80 -11.303 -16.126 0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.764 -13.699 -0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.418 -14.044 1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.085 -13.423 -0.631 1.00 0.00 H new ATOM 1064 N GLY A 81 -12.507 -15.627 -2.142 1.00 0.00 N ATOM 1065 CA GLY A 81 -13.108 -15.693 -3.461 1.00 0.00 C ATOM 1066 C GLY A 81 -13.280 -14.324 -4.089 1.00 0.00 C ATOM 1067 O GLY A 81 -12.564 -13.381 -3.749 1.00 0.00 O ATOM 0 H GLY A 81 -13.171 -15.643 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.487 -16.311 -4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.080 -16.181 -3.390 1.00 0.00 H new ATOM 1071 N THR A 82 -14.230 -14.213 -5.012 1.00 0.00 N ATOM 1072 CA THR A 82 -14.493 -12.950 -5.691 1.00 0.00 C ATOM 1073 C THR A 82 -15.812 -12.998 -6.452 1.00 0.00 C ATOM 1074 O THR A 82 -16.418 -14.060 -6.595 1.00 0.00 O ATOM 1075 CB THR A 82 -13.360 -12.594 -6.672 1.00 0.00 C ATOM 1076 OG1 THR A 82 -13.542 -11.263 -7.168 1.00 0.00 O ATOM 1077 CG2 THR A 82 -13.324 -13.574 -7.835 1.00 0.00 C ATOM 0 H THR A 82 -14.831 -14.983 -5.307 1.00 0.00 H new ATOM 0 HA THR A 82 -14.551 -12.183 -4.919 1.00 0.00 H new ATOM 0 HB THR A 82 -12.412 -12.655 -6.137 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.817 -11.044 -7.790 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.516 -13.303 -8.515 1.00 0.00 H new ATOM 0 HG22 THR A 82 -13.156 -14.582 -7.456 1.00 0.00 H new ATOM 0 HG23 THR A 82 -14.274 -13.540 -8.369 1.00 0.00 H new ATOM 1085 N TYR A 83 -16.252 -11.844 -6.939 1.00 0.00 N ATOM 1086 CA TYR A 83 -17.502 -11.754 -7.685 1.00 0.00 C ATOM 1087 C TYR A 83 -17.283 -12.090 -9.157 1.00 0.00 C ATOM 1088 O TYR A 83 -16.209 -12.548 -9.549 1.00 0.00 O ATOM 1089 CB TYR A 83 -18.099 -10.353 -7.553 1.00 0.00 C ATOM 1090 CG TYR A 83 -17.342 -9.296 -8.324 1.00 0.00 C ATOM 1091 CD1 TYR A 83 -16.193 -8.716 -7.802 1.00 0.00 C ATOM 1092 CD2 TYR A 83 -17.776 -8.876 -9.576 1.00 0.00 C ATOM 1093 CE1 TYR A 83 -15.497 -7.750 -8.503 1.00 0.00 C ATOM 1094 CE2 TYR A 83 -17.087 -7.911 -10.284 1.00 0.00 C ATOM 1095 CZ TYR A 83 -15.949 -7.351 -9.743 1.00 0.00 C ATOM 1096 OH TYR A 83 -15.259 -6.389 -10.446 1.00 0.00 O ATOM 0 H TYR A 83 -15.761 -10.956 -6.831 1.00 0.00 H new ATOM 0 HA TYR A 83 -18.199 -12.479 -7.266 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -19.132 -10.374 -7.900 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -18.122 -10.075 -6.499 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -15.837 -9.026 -6.830 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -18.667 -9.312 -10.002 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -14.605 -7.310 -8.082 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -17.438 -7.597 -11.256 1.00 0.00 H new ATOM 0 HH TYR A 83 -15.709 -6.223 -11.301 1.00 0.00 H new ATOM 1105 N VAL A 84 -18.308 -11.856 -9.969 1.00 0.00 N ATOM 1106 CA VAL A 84 -18.229 -12.131 -11.399 1.00 0.00 C ATOM 1107 C VAL A 84 -17.570 -10.977 -12.145 1.00 0.00 C ATOM 1108 O VAL A 84 -18.250 -10.109 -12.692 1.00 0.00 O ATOM 1109 CB VAL A 84 -19.625 -12.386 -11.999 1.00 0.00 C ATOM 1110 CG1 VAL A 84 -19.509 -12.829 -13.450 1.00 0.00 C ATOM 1111 CG2 VAL A 84 -20.377 -13.420 -11.177 1.00 0.00 C ATOM 0 H VAL A 84 -19.203 -11.477 -9.661 1.00 0.00 H new ATOM 0 HA VAL A 84 -17.622 -13.029 -11.516 1.00 0.00 H new ATOM 0 HB VAL A 84 -20.189 -11.454 -11.972 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -20.505 -13.005 -13.858 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -19.012 -12.051 -14.029 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -18.927 -13.749 -13.504 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -21.361 -13.588 -11.615 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -19.818 -14.356 -11.170 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -20.492 -13.059 -10.155 1.00 0.00 H new ATOM 1121 N ALA A 85 -16.241 -10.972 -12.162 1.00 0.00 N ATOM 1122 CA ALA A 85 -15.489 -9.925 -12.843 1.00 0.00 C ATOM 1123 C ALA A 85 -15.035 -10.385 -14.224 1.00 0.00 C ATOM 1124 O ALA A 85 -13.843 -10.376 -14.531 1.00 0.00 O ATOM 1125 CB ALA A 85 -14.292 -9.505 -12.004 1.00 0.00 C ATOM 0 H ALA A 85 -15.663 -11.682 -11.712 1.00 0.00 H new ATOM 0 HA ALA A 85 -16.147 -9.066 -12.974 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.739 -8.723 -12.524 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.637 -9.127 -11.042 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.641 -10.364 -11.844 1.00 0.00 H new ATOM 1131 N ALA A 86 -15.992 -10.789 -15.053 1.00 0.00 N ATOM 1132 CA ALA A 86 -15.689 -11.252 -16.402 1.00 0.00 C ATOM 1133 C ALA A 86 -15.344 -10.084 -17.318 1.00 0.00 C ATOM 1134 O ALA A 86 -14.588 -10.238 -18.278 1.00 0.00 O ATOM 1135 CB ALA A 86 -16.864 -12.039 -16.966 1.00 0.00 C ATOM 0 H ALA A 86 -16.984 -10.805 -14.814 1.00 0.00 H new ATOM 0 HA ALA A 86 -14.819 -11.907 -16.349 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -16.624 -12.379 -17.974 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -17.063 -12.902 -16.330 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -17.747 -11.401 -16.999 1.00 0.00 H new ATOM 1141 N ASP A 87 -15.901 -8.917 -17.017 1.00 0.00 N ATOM 1142 CA ASP A 87 -15.651 -7.722 -17.814 1.00 0.00 C ATOM 1143 C ASP A 87 -15.056 -6.610 -16.956 1.00 0.00 C ATOM 1144 O ASP A 87 -15.782 -5.798 -16.383 1.00 0.00 O ATOM 1145 CB ASP A 87 -16.946 -7.239 -18.469 1.00 0.00 C ATOM 1146 CG ASP A 87 -17.174 -7.864 -19.832 1.00 0.00 C ATOM 1147 OD1 ASP A 87 -16.186 -8.048 -20.573 1.00 0.00 O ATOM 1148 OD2 ASP A 87 -18.339 -8.171 -20.156 1.00 0.00 O ATOM 0 H ASP A 87 -16.529 -8.773 -16.226 1.00 0.00 H new ATOM 0 HA ASP A 87 -14.933 -7.979 -18.593 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -17.788 -7.475 -17.819 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -16.916 -6.154 -18.570 1.00 0.00 H new ATOM 1152 N ALA A 88 -13.730 -6.580 -16.870 1.00 0.00 N ATOM 1153 CA ALA A 88 -13.038 -5.568 -16.082 1.00 0.00 C ATOM 1154 C ALA A 88 -12.120 -4.724 -16.958 1.00 0.00 C ATOM 1155 O ALA A 88 -11.930 -3.533 -16.709 1.00 0.00 O ATOM 1156 CB ALA A 88 -12.245 -6.223 -14.960 1.00 0.00 C ATOM 0 H ALA A 88 -13.114 -7.245 -17.337 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.787 -4.908 -15.645 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.733 -5.455 -14.380 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -12.923 -6.777 -14.311 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.510 -6.907 -15.385 1.00 0.00 H new ATOM 1162 N ALA A 89 -11.550 -5.347 -17.984 1.00 0.00 N ATOM 1163 CA ALA A 89 -10.653 -4.652 -18.898 1.00 0.00 C ATOM 1164 C ALA A 89 -11.412 -3.644 -19.754 1.00 0.00 C ATOM 1165 O ALA A 89 -10.843 -2.657 -20.218 1.00 0.00 O ATOM 1166 CB ALA A 89 -9.921 -5.652 -19.782 1.00 0.00 C ATOM 0 H ALA A 89 -11.694 -6.333 -18.203 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.922 -4.105 -18.303 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.254 -5.119 -20.460 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.338 -6.330 -19.159 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.646 -6.224 -20.361 1.00 0.00 H new ATOM 1172 N ALA A 90 -12.700 -3.899 -19.958 1.00 0.00 N ATOM 1173 CA ALA A 90 -13.538 -3.014 -20.756 1.00 0.00 C ATOM 1174 C ALA A 90 -13.887 -1.745 -19.984 1.00 0.00 C ATOM 1175 O ALA A 90 -13.722 -0.635 -20.489 1.00 0.00 O ATOM 1176 CB ALA A 90 -14.805 -3.735 -21.190 1.00 0.00 C ATOM 0 H ALA A 90 -13.186 -4.713 -19.581 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.976 -2.725 -21.644 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.421 -3.061 -21.785 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.541 -4.608 -21.787 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -15.362 -4.053 -20.309 1.00 0.00 H new ATOM 1182 N ALA A 91 -14.369 -1.919 -18.758 1.00 0.00 N ATOM 1183 CA ALA A 91 -14.741 -0.788 -17.916 1.00 0.00 C ATOM 1184 C ALA A 91 -13.527 0.077 -17.593 1.00 0.00 C ATOM 1185 O ALA A 91 -13.654 1.279 -17.360 1.00 0.00 O ATOM 1186 CB ALA A 91 -15.400 -1.277 -16.635 1.00 0.00 C ATOM 0 H ALA A 91 -14.511 -2.832 -18.326 1.00 0.00 H new ATOM 0 HA ALA A 91 -15.455 -0.176 -18.467 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.672 -0.422 -16.016 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -16.296 -1.847 -16.881 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.704 -1.914 -16.088 1.00 0.00 H new ATOM 1192 N SER A 92 -12.352 -0.543 -17.579 1.00 0.00 N ATOM 1193 CA SER A 92 -11.115 0.170 -17.279 1.00 0.00 C ATOM 1194 C SER A 92 -9.899 -0.660 -17.679 1.00 0.00 C ATOM 1195 O SER A 92 -9.959 -1.889 -17.725 1.00 0.00 O ATOM 1196 CB SER A 92 -11.046 0.510 -15.789 1.00 0.00 C ATOM 1197 OG SER A 92 -11.873 1.619 -15.481 1.00 0.00 O ATOM 0 H SER A 92 -12.230 -1.537 -17.772 1.00 0.00 H new ATOM 0 HA SER A 92 -11.108 1.095 -17.856 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.356 -0.354 -15.201 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.016 0.732 -15.511 1.00 0.00 H new ATOM 0 HG SER A 92 -12.430 1.837 -16.257 1.00 0.00 H new ATOM 1202 N THR A 93 -8.795 0.021 -17.969 1.00 0.00 N ATOM 1203 CA THR A 93 -7.564 -0.651 -18.366 1.00 0.00 C ATOM 1204 C THR A 93 -6.370 0.292 -18.281 1.00 0.00 C ATOM 1205 O THR A 93 -6.521 1.475 -17.970 1.00 0.00 O ATOM 1206 CB THR A 93 -7.664 -1.204 -19.800 1.00 0.00 C ATOM 1207 OG1 THR A 93 -8.922 -0.840 -20.379 1.00 0.00 O ATOM 1208 CG2 THR A 93 -7.517 -2.719 -19.807 1.00 0.00 C ATOM 0 H THR A 93 -8.728 1.038 -17.936 1.00 0.00 H new ATOM 0 HA THR A 93 -7.419 -1.480 -17.673 1.00 0.00 H new ATOM 0 HB THR A 93 -6.855 -0.773 -20.389 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.495 -1.633 -20.441 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.591 -3.087 -20.830 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.547 -2.992 -19.392 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.308 -3.164 -19.203 1.00 0.00 H new ATOM 1216 N TYR A 94 -5.183 -0.236 -18.558 1.00 0.00 N ATOM 1217 CA TYR A 94 -3.962 0.560 -18.510 1.00 0.00 C ATOM 1218 C TYR A 94 -4.057 1.760 -19.447 1.00 0.00 C ATOM 1219 O TYR A 94 -5.023 1.904 -20.197 1.00 0.00 O ATOM 1220 CB TYR A 94 -2.754 -0.299 -18.886 1.00 0.00 C ATOM 1221 CG TYR A 94 -2.818 -0.853 -20.291 1.00 0.00 C ATOM 1222 CD1 TYR A 94 -3.423 -2.077 -20.550 1.00 0.00 C ATOM 1223 CD2 TYR A 94 -2.275 -0.152 -21.361 1.00 0.00 C ATOM 1224 CE1 TYR A 94 -3.484 -2.587 -21.832 1.00 0.00 C ATOM 1225 CE2 TYR A 94 -2.332 -0.655 -22.647 1.00 0.00 C ATOM 1226 CZ TYR A 94 -2.938 -1.872 -22.877 1.00 0.00 C ATOM 1227 OH TYR A 94 -2.997 -2.377 -24.156 1.00 0.00 O ATOM 0 H TYR A 94 -5.040 -1.212 -18.818 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.837 0.926 -17.491 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.848 0.298 -18.781 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.674 -1.127 -18.181 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.853 -2.639 -19.734 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.800 0.802 -21.185 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.957 -3.541 -22.015 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.904 -0.098 -23.467 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.568 -1.750 -24.775 1.00 0.00 H new ATOM 1236 N THR A 95 -3.047 2.623 -19.397 1.00 0.00 N ATOM 1237 CA THR A 95 -3.014 3.812 -20.239 1.00 0.00 C ATOM 1238 C THR A 95 -1.629 4.024 -20.839 1.00 0.00 C ATOM 1239 O THR A 95 -0.617 3.896 -20.149 1.00 0.00 O ATOM 1240 CB THR A 95 -3.418 5.071 -19.449 1.00 0.00 C ATOM 1241 OG1 THR A 95 -2.817 5.047 -18.150 1.00 0.00 O ATOM 1242 CG2 THR A 95 -4.931 5.162 -19.312 1.00 0.00 C ATOM 0 H THR A 95 -2.240 2.520 -18.781 1.00 0.00 H new ATOM 0 HA THR A 95 -3.733 3.650 -21.042 1.00 0.00 H new ATOM 0 HB THR A 95 -3.066 5.945 -19.996 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.077 5.851 -17.654 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.192 6.059 -18.751 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.384 5.209 -20.302 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.302 4.283 -18.785 1.00 0.00 H new ATOM 1250 N GLY A 96 -1.590 4.352 -22.127 1.00 0.00 N ATOM 1251 CA GLY A 96 -0.322 4.577 -22.796 1.00 0.00 C ATOM 1252 C GLY A 96 -0.071 6.044 -23.081 1.00 0.00 C ATOM 1253 O GLY A 96 -0.379 6.536 -24.167 1.00 0.00 O ATOM 0 H GLY A 96 -2.413 4.466 -22.718 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.486 4.186 -22.178 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.305 4.020 -23.733 1.00 0.00 H new ATOM 1257 N PHE A 97 0.491 6.747 -22.103 1.00 0.00 N ATOM 1258 CA PHE A 97 0.782 8.168 -22.252 1.00 0.00 C ATOM 1259 C PHE A 97 2.256 8.390 -22.579 1.00 0.00 C ATOM 1260 O PHE A 97 2.761 7.792 -23.528 1.00 0.00 O ATOM 1261 CB PHE A 97 0.411 8.924 -20.974 1.00 0.00 C ATOM 1262 CG PHE A 97 0.147 10.385 -21.197 1.00 0.00 C ATOM 1263 CD1 PHE A 97 1.183 11.305 -21.154 1.00 0.00 C ATOM 1264 CD2 PHE A 97 -1.137 10.840 -21.450 1.00 0.00 C ATOM 1265 CE1 PHE A 97 0.943 12.650 -21.357 1.00 0.00 C ATOM 1266 CE2 PHE A 97 -1.383 12.185 -21.656 1.00 0.00 C ATOM 1267 CZ PHE A 97 -0.342 13.091 -21.610 1.00 0.00 C ATOM 0 H PHE A 97 0.754 6.355 -21.199 1.00 0.00 H new ATOM 0 HA PHE A 97 0.183 8.551 -23.078 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.475 8.466 -20.535 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.218 8.815 -20.250 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.190 10.966 -20.959 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.955 10.136 -21.487 1.00 0.00 H new ATOM 0 HE1 PHE A 97 1.759 13.356 -21.318 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.388 12.527 -21.853 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.532 14.142 -21.771 1.00 0.00 H new TER 1276 PHE A 97 ATOM 1277 N SER B 601 -2.476 31.108 -12.251 1.00 0.00 N ATOM 1278 CA SER B 601 -1.861 32.032 -11.304 1.00 0.00 C ATOM 1279 C SER B 601 -2.535 31.938 -9.939 1.00 0.00 C ATOM 1280 O SER B 601 -3.761 31.920 -9.841 1.00 0.00 O ATOM 1281 CB SER B 601 -1.945 33.466 -11.830 1.00 0.00 C ATOM 1282 OG SER B 601 -3.012 34.171 -11.220 1.00 0.00 O ATOM 0 HA SER B 601 -0.813 31.755 -11.192 1.00 0.00 H new ATOM 0 HB2 SER B 601 -1.005 33.983 -11.636 1.00 0.00 H new ATOM 0 HB3 SER B 601 -2.085 33.453 -12.911 1.00 0.00 H new ATOM 0 HG SER B 601 -3.044 35.085 -11.572 1.00 0.00 H new ATOM 1287 N MET B 602 -1.724 31.879 -8.888 1.00 0.00 N ATOM 1288 CA MET B 602 -2.243 31.789 -7.528 1.00 0.00 C ATOM 1289 C MET B 602 -1.416 32.646 -6.574 1.00 0.00 C ATOM 1290 O MET B 602 -0.971 32.174 -5.527 1.00 0.00 O ATOM 1291 CB MET B 602 -2.243 30.334 -7.055 1.00 0.00 C ATOM 1292 CG MET B 602 -3.435 29.533 -7.552 1.00 0.00 C ATOM 1293 SD MET B 602 -3.100 27.763 -7.625 1.00 0.00 S ATOM 1294 CE MET B 602 -3.602 27.256 -5.982 1.00 0.00 C ATOM 0 H MET B 602 -0.706 31.892 -8.952 1.00 0.00 H new ATOM 0 HA MET B 602 -3.267 32.163 -7.530 1.00 0.00 H new ATOM 0 HB2 MET B 602 -1.326 29.851 -7.392 1.00 0.00 H new ATOM 0 HB3 MET B 602 -2.232 30.315 -5.965 1.00 0.00 H new ATOM 0 HG2 MET B 602 -4.287 29.711 -6.895 1.00 0.00 H new ATOM 0 HG3 MET B 602 -3.718 29.887 -8.544 1.00 0.00 H new ATOM 0 HE1 MET B 602 -2.828 26.627 -5.543 1.00 0.00 H new ATOM 0 HE2 MET B 602 -3.750 28.138 -5.358 1.00 0.00 H new ATOM 0 HE3 MET B 602 -4.534 26.694 -6.043 1.00 0.00 H new ATOM 1302 N SER B 603 -1.215 33.908 -6.942 1.00 0.00 N ATOM 1303 CA SER B 603 -0.439 34.829 -6.120 1.00 0.00 C ATOM 1304 C SER B 603 -1.327 35.934 -5.556 1.00 0.00 C ATOM 1305 O SER B 603 -0.918 36.679 -4.667 1.00 0.00 O ATOM 1306 CB SER B 603 0.699 35.442 -6.939 1.00 0.00 C ATOM 1307 OG SER B 603 0.952 36.778 -6.540 1.00 0.00 O ATOM 0 H SER B 603 -1.579 34.315 -7.803 1.00 0.00 H new ATOM 0 HA SER B 603 -0.016 34.266 -5.288 1.00 0.00 H new ATOM 0 HB2 SER B 603 1.603 34.845 -6.816 1.00 0.00 H new ATOM 0 HB3 SER B 603 0.443 35.418 -7.998 1.00 0.00 H new ATOM 0 HG SER B 603 1.684 37.147 -7.077 1.00 0.00 H new ATOM 1312 N GLN B 604 -2.544 36.031 -6.079 1.00 0.00 N ATOM 1313 CA GLN B 604 -3.491 37.044 -5.629 1.00 0.00 C ATOM 1314 C GLN B 604 -4.334 36.525 -4.470 1.00 0.00 C ATOM 1315 O GLN B 604 -5.325 37.147 -4.083 1.00 0.00 O ATOM 1316 CB GLN B 604 -4.398 37.474 -6.784 1.00 0.00 C ATOM 1317 CG GLN B 604 -5.302 36.363 -7.293 1.00 0.00 C ATOM 1318 CD GLN B 604 -6.080 36.765 -8.531 1.00 0.00 C ATOM 1319 OE1 GLN B 604 -7.090 37.463 -8.444 1.00 0.00 O ATOM 1320 NE2 GLN B 604 -5.612 36.324 -9.693 1.00 0.00 N ATOM 0 H GLN B 604 -2.898 35.420 -6.815 1.00 0.00 H new ATOM 0 HA GLN B 604 -2.923 37.907 -5.282 1.00 0.00 H new ATOM 0 HB2 GLN B 604 -5.014 38.312 -6.459 1.00 0.00 H new ATOM 0 HB3 GLN B 604 -3.780 37.833 -7.606 1.00 0.00 H new ATOM 0 HG2 GLN B 604 -4.699 35.483 -7.517 1.00 0.00 H new ATOM 0 HG3 GLN B 604 -6.000 36.079 -6.506 1.00 0.00 H new ATOM 0 HE21 GLN B 604 -4.771 35.748 -9.718 1.00 0.00 H new ATOM 0 HE22 GLN B 604 -6.094 36.562 -10.560 1.00 0.00 H new ATOM 1327 N ILE B 605 -3.935 35.383 -3.920 1.00 0.00 N ATOM 1328 CA ILE B 605 -4.655 34.782 -2.804 1.00 0.00 C ATOM 1329 C ILE B 605 -3.856 34.895 -1.510 1.00 0.00 C ATOM 1330 O ILE B 605 -2.832 35.576 -1.458 1.00 0.00 O ATOM 1331 CB ILE B 605 -4.969 33.298 -3.072 1.00 0.00 C ATOM 1332 CG1 ILE B 605 -4.846 32.989 -4.565 1.00 0.00 C ATOM 1333 CG2 ILE B 605 -6.362 32.952 -2.567 1.00 0.00 C ATOM 1334 CD1 ILE B 605 -5.861 33.717 -5.418 1.00 0.00 C ATOM 0 H ILE B 605 -3.118 34.856 -4.229 1.00 0.00 H new ATOM 0 HA ILE B 605 -5.591 35.331 -2.699 1.00 0.00 H new ATOM 0 HB ILE B 605 -4.246 32.686 -2.533 1.00 0.00 H new ATOM 0 HG12 ILE B 605 -3.844 33.254 -4.901 1.00 0.00 H new ATOM 0 HG13 ILE B 605 -4.959 31.916 -4.716 1.00 0.00 H new ATOM 0 HG21 ILE B 605 -6.569 31.900 -2.764 1.00 0.00 H new ATOM 0 HG22 ILE B 605 -6.417 33.138 -1.494 1.00 0.00 H new ATOM 0 HG23 ILE B 605 -7.099 33.569 -3.081 1.00 0.00 H new ATOM 0 HD11 ILE B 605 -5.715 33.450 -6.465 1.00 0.00 H new ATOM 0 HD12 ILE B 605 -6.867 33.433 -5.108 1.00 0.00 H new ATOM 0 HD13 ILE B 605 -5.734 34.793 -5.296 1.00 0.00 H new ATOM 1345 N MET B 606 -4.332 34.223 -0.467 1.00 0.00 N ATOM 1346 CA MET B 606 -3.660 34.245 0.828 1.00 0.00 C ATOM 1347 C MET B 606 -2.278 33.609 0.733 1.00 0.00 C ATOM 1348 O MET B 606 -2.152 32.395 0.566 1.00 0.00 O ATOM 1349 CB MET B 606 -4.502 33.513 1.875 1.00 0.00 C ATOM 1350 CG MET B 606 -4.848 32.085 1.487 1.00 0.00 C ATOM 1351 SD MET B 606 -6.328 31.480 2.319 1.00 0.00 S ATOM 1352 CE MET B 606 -7.607 32.343 1.409 1.00 0.00 C ATOM 0 H MET B 606 -5.180 33.657 -0.493 1.00 0.00 H new ATOM 0 HA MET B 606 -3.541 35.285 1.131 1.00 0.00 H new ATOM 0 HB2 MET B 606 -3.961 33.503 2.821 1.00 0.00 H new ATOM 0 HB3 MET B 606 -5.425 34.069 2.041 1.00 0.00 H new ATOM 0 HG2 MET B 606 -4.994 32.031 0.408 1.00 0.00 H new ATOM 0 HG3 MET B 606 -4.008 31.433 1.728 1.00 0.00 H new ATOM 0 HE1 MET B 606 -8.306 32.800 2.109 1.00 0.00 H new ATOM 0 HE2 MET B 606 -7.154 33.118 0.791 1.00 0.00 H new ATOM 0 HE3 MET B 606 -8.140 31.637 0.772 1.00 0.00 H new ATOM 1360 N TYR B 607 -1.242 34.434 0.842 1.00 0.00 N ATOM 1361 CA TYR B 607 0.131 33.952 0.766 1.00 0.00 C ATOM 1362 C TYR B 607 1.079 34.889 1.508 1.00 0.00 C ATOM 1363 O TYR B 607 2.001 35.451 0.919 1.00 0.00 O ATOM 1364 CB TYR B 607 0.568 33.818 -0.694 1.00 0.00 C ATOM 1365 CG TYR B 607 -0.047 32.633 -1.403 1.00 0.00 C ATOM 1366 CD1 TYR B 607 0.543 31.377 -1.339 1.00 0.00 C ATOM 1367 CD2 TYR B 607 -1.219 32.769 -2.137 1.00 0.00 C ATOM 1368 CE1 TYR B 607 -0.014 30.292 -1.986 1.00 0.00 C ATOM 1369 CE2 TYR B 607 -1.785 31.689 -2.787 1.00 0.00 C ATOM 1370 CZ TYR B 607 -1.178 30.453 -2.710 1.00 0.00 C ATOM 1371 OH TYR B 607 -1.737 29.374 -3.355 1.00 0.00 O ATOM 0 H TYR B 607 -1.328 35.440 0.983 1.00 0.00 H new ATOM 0 HA TYR B 607 0.171 32.972 1.241 1.00 0.00 H new ATOM 0 HB2 TYR B 607 0.302 34.729 -1.229 1.00 0.00 H new ATOM 0 HB3 TYR B 607 1.654 33.731 -0.733 1.00 0.00 H new ATOM 0 HD1 TYR B 607 1.454 31.247 -0.773 1.00 0.00 H new ATOM 0 HD2 TYR B 607 -1.696 33.736 -2.201 1.00 0.00 H new ATOM 0 HE1 TYR B 607 0.458 29.323 -1.926 1.00 0.00 H new ATOM 0 HE2 TYR B 607 -2.697 31.812 -3.352 1.00 0.00 H new ATOM 0 HH TYR B 607 -2.553 29.656 -3.818 1.00 0.00 H new ATOM 1380 N ASN B 608 0.845 35.050 2.807 1.00 0.00 N ATOM 1381 CA ASN B 608 1.677 35.918 3.632 1.00 0.00 C ATOM 1382 C ASN B 608 2.253 35.152 4.820 1.00 0.00 C ATOM 1383 O ASN B 608 3.401 35.365 5.211 1.00 0.00 O ATOM 1384 CB ASN B 608 0.865 37.116 4.129 1.00 0.00 C ATOM 1385 CG ASN B 608 0.924 38.291 3.171 1.00 0.00 C ATOM 1386 OD1 ASN B 608 1.582 39.296 3.443 1.00 0.00 O ATOM 1387 ND2 ASN B 608 0.234 38.170 2.043 1.00 0.00 N ATOM 0 H ASN B 608 0.086 34.591 3.310 1.00 0.00 H new ATOM 0 HA ASN B 608 2.503 36.277 3.019 1.00 0.00 H new ATOM 0 HB2 ASN B 608 -0.174 36.815 4.268 1.00 0.00 H new ATOM 0 HB3 ASN B 608 1.240 37.426 5.104 1.00 0.00 H new ATOM 0 HD21 ASN B 608 0.235 38.928 1.361 1.00 0.00 H new ATOM 0 HD22 ASN B 608 -0.297 37.319 1.859 1.00 0.00 H new ATOM 1393 N TYR B 609 1.448 34.262 5.387 1.00 0.00 N ATOM 1394 CA TYR B 609 1.877 33.465 6.531 1.00 0.00 C ATOM 1395 C TYR B 609 2.024 31.996 6.147 1.00 0.00 C ATOM 1396 O TYR B 609 1.479 31.531 5.146 1.00 0.00 O ATOM 1397 CB TYR B 609 0.877 33.606 7.680 1.00 0.00 C ATOM 1398 CG TYR B 609 1.194 34.742 8.624 1.00 0.00 C ATOM 1399 CD1 TYR B 609 1.246 36.055 8.170 1.00 0.00 C ATOM 1400 CD2 TYR B 609 1.443 34.505 9.970 1.00 0.00 C ATOM 1401 CE1 TYR B 609 1.537 37.097 9.029 1.00 0.00 C ATOM 1402 CE2 TYR B 609 1.733 35.541 10.837 1.00 0.00 C ATOM 1403 CZ TYR B 609 1.779 36.835 10.361 1.00 0.00 C ATOM 1404 OH TYR B 609 2.068 37.871 11.221 1.00 0.00 O ATOM 0 H TYR B 609 0.496 34.074 5.074 1.00 0.00 H new ATOM 0 HA TYR B 609 2.849 33.835 6.856 1.00 0.00 H new ATOM 0 HB2 TYR B 609 -0.120 33.757 7.266 1.00 0.00 H new ATOM 0 HB3 TYR B 609 0.851 32.673 8.244 1.00 0.00 H new ATOM 0 HD1 TYR B 609 1.056 36.264 7.128 1.00 0.00 H new ATOM 0 HD2 TYR B 609 1.409 33.493 10.345 1.00 0.00 H new ATOM 0 HE1 TYR B 609 1.575 38.111 8.659 1.00 0.00 H new ATOM 0 HE2 TYR B 609 1.922 35.339 11.881 1.00 0.00 H new ATOM 0 HH TYR B 609 2.211 37.517 12.123 1.00 0.00 H new ATOM 1413 N PRO B 610 2.779 31.245 6.963 1.00 0.00 N ATOM 1414 CA PRO B 610 3.017 29.817 6.732 1.00 0.00 C ATOM 1415 C PRO B 610 1.764 28.977 6.958 1.00 0.00 C ATOM 1416 O PRO B 610 1.558 27.963 6.293 1.00 0.00 O ATOM 1417 CB PRO B 610 4.090 29.464 7.763 1.00 0.00 C ATOM 1418 CG PRO B 610 3.918 30.470 8.849 1.00 0.00 C ATOM 1419 CD PRO B 610 3.460 31.733 8.175 1.00 0.00 C ATOM 0 HA PRO B 610 3.313 29.615 5.703 1.00 0.00 H new ATOM 0 HB2 PRO B 610 3.959 28.449 8.139 1.00 0.00 H new ATOM 0 HB3 PRO B 610 5.089 29.517 7.329 1.00 0.00 H new ATOM 0 HG2 PRO B 610 3.186 30.131 9.582 1.00 0.00 H new ATOM 0 HG3 PRO B 610 4.854 30.631 9.384 1.00 0.00 H new ATOM 0 HD2 PRO B 610 2.786 32.306 8.811 1.00 0.00 H new ATOM 0 HD3 PRO B 610 4.299 32.385 7.930 1.00 0.00 H new ATOM 1424 N ALA B 611 0.931 29.407 7.900 1.00 0.00 N ATOM 1425 CA ALA B 611 -0.302 28.697 8.212 1.00 0.00 C ATOM 1426 C ALA B 611 -1.210 28.610 6.990 1.00 0.00 C ATOM 1427 O ALA B 611 -2.037 27.704 6.883 1.00 0.00 O ATOM 1428 CB ALA B 611 -1.027 29.377 9.364 1.00 0.00 C ATOM 0 H ALA B 611 1.088 30.245 8.460 1.00 0.00 H new ATOM 0 HA ALA B 611 -0.041 27.682 8.511 1.00 0.00 H new ATOM 0 HB1 ALA B 611 -1.946 28.835 9.586 1.00 0.00 H new ATOM 0 HB2 ALA B 611 -0.386 29.380 10.246 1.00 0.00 H new ATOM 0 HB3 ALA B 611 -1.268 30.403 9.087 1.00 0.00 H new ATOM 1434 N MET B 612 -1.050 29.557 6.071 1.00 0.00 N ATOM 1435 CA MET B 612 -1.856 29.586 4.856 1.00 0.00 C ATOM 1436 C MET B 612 -1.279 28.651 3.798 1.00 0.00 C ATOM 1437 O MET B 612 -2.019 28.009 3.051 1.00 0.00 O ATOM 1438 CB MET B 612 -1.935 31.011 4.305 1.00 0.00 C ATOM 1439 CG MET B 612 -2.481 32.019 5.303 1.00 0.00 C ATOM 1440 SD MET B 612 -4.283 32.037 5.355 1.00 0.00 S ATOM 1441 CE MET B 612 -4.584 33.641 6.092 1.00 0.00 C ATOM 0 H MET B 612 -0.370 30.314 6.145 1.00 0.00 H new ATOM 0 HA MET B 612 -2.860 29.245 5.108 1.00 0.00 H new ATOM 0 HB2 MET B 612 -0.940 31.326 3.990 1.00 0.00 H new ATOM 0 HB3 MET B 612 -2.566 31.014 3.416 1.00 0.00 H new ATOM 0 HG2 MET B 612 -2.095 31.788 6.296 1.00 0.00 H new ATOM 0 HG3 MET B 612 -2.119 33.014 5.044 1.00 0.00 H new ATOM 0 HE1 MET B 612 -5.658 33.800 6.191 1.00 0.00 H new ATOM 0 HE2 MET B 612 -4.119 33.682 7.077 1.00 0.00 H new ATOM 0 HE3 MET B 612 -4.159 34.419 5.458 1.00 0.00 H new ATOM 1449 N LEU B 613 0.046 28.577 3.739 1.00 0.00 N ATOM 1450 CA LEU B 613 0.723 27.720 2.773 1.00 0.00 C ATOM 1451 C LEU B 613 0.443 26.248 3.059 1.00 0.00 C ATOM 1452 O LEU B 613 -0.102 25.534 2.219 1.00 0.00 O ATOM 1453 CB LEU B 613 2.231 27.978 2.800 1.00 0.00 C ATOM 1454 CG LEU B 613 2.985 27.688 1.501 1.00 0.00 C ATOM 1455 CD1 LEU B 613 4.100 28.702 1.294 1.00 0.00 C ATOM 1456 CD2 LEU B 613 3.543 26.273 1.514 1.00 0.00 C ATOM 0 H LEU B 613 0.673 29.101 4.350 1.00 0.00 H new ATOM 0 HA LEU B 613 0.337 27.958 1.782 1.00 0.00 H new ATOM 0 HB2 LEU B 613 2.396 29.022 3.067 1.00 0.00 H new ATOM 0 HB3 LEU B 613 2.669 27.373 3.594 1.00 0.00 H new ATOM 0 HG LEU B 613 2.286 27.773 0.669 1.00 0.00 H new ATOM 0 HD11 LEU B 613 4.626 28.480 0.365 1.00 0.00 H new ATOM 0 HD12 LEU B 613 3.675 29.704 1.240 1.00 0.00 H new ATOM 0 HD13 LEU B 613 4.799 28.649 2.128 1.00 0.00 H new ATOM 0 HD21 LEU B 613 4.076 26.084 0.582 1.00 0.00 H new ATOM 0 HD22 LEU B 613 4.228 26.160 2.354 1.00 0.00 H new ATOM 0 HD23 LEU B 613 2.725 25.560 1.615 1.00 0.00 H new ATOM 1467 N GLY B 614 0.818 25.802 4.254 1.00 0.00 N ATOM 1468 CA GLY B 614 0.598 24.418 4.632 1.00 0.00 C ATOM 1469 C GLY B 614 1.180 24.088 5.993 1.00 0.00 C ATOM 1470 O GLY B 614 2.388 24.198 6.202 1.00 0.00 O ATOM 0 H GLY B 614 1.270 26.374 4.967 1.00 0.00 H new ATOM 0 HA2 GLY B 614 -0.472 24.212 4.639 1.00 0.00 H new ATOM 0 HA3 GLY B 614 1.043 23.765 3.882 1.00 0.00 H new ATOM 1474 N HIS B 615 0.319 23.683 6.921 1.00 0.00 N ATOM 1475 CA HIS B 615 0.754 23.338 8.269 1.00 0.00 C ATOM 1476 C HIS B 615 1.313 21.919 8.312 1.00 0.00 C ATOM 1477 O HIS B 615 1.369 21.232 7.292 1.00 0.00 O ATOM 1478 CB HIS B 615 -0.407 23.470 9.254 1.00 0.00 C ATOM 1479 CG HIS B 615 -0.235 24.586 10.237 1.00 0.00 C ATOM 1480 ND1 HIS B 615 -1.233 25.490 10.534 1.00 0.00 N ATOM 1481 CD2 HIS B 615 0.830 24.941 10.996 1.00 0.00 C ATOM 1482 CE1 HIS B 615 -0.790 26.353 11.430 1.00 0.00 C ATOM 1483 NE2 HIS B 615 0.458 26.042 11.728 1.00 0.00 N ATOM 0 H HIS B 615 -0.684 23.586 6.764 1.00 0.00 H new ATOM 0 HA HIS B 615 1.544 24.031 8.557 1.00 0.00 H new ATOM 0 HB2 HIS B 615 -1.330 23.628 8.696 1.00 0.00 H new ATOM 0 HB3 HIS B 615 -0.520 22.532 9.798 1.00 0.00 H new ATOM 0 HD2 HIS B 615 1.792 24.450 11.021 1.00 0.00 H new ATOM 0 HE1 HIS B 615 -1.353 27.174 11.848 1.00 0.00 H new ATOM 0 HE2 HIS B 615 1.050 26.539 12.394 1.00 0.00 H new ATOM 1490 N ALA B 616 1.728 21.486 9.498 1.00 0.00 N ATOM 1491 CA ALA B 616 2.281 20.150 9.675 1.00 0.00 C ATOM 1492 C ALA B 616 1.858 19.551 11.011 1.00 0.00 C ATOM 1493 O ALA B 616 1.077 20.148 11.750 1.00 0.00 O ATOM 1494 CB ALA B 616 3.799 20.188 9.567 1.00 0.00 C ATOM 0 H ALA B 616 1.691 22.043 10.352 1.00 0.00 H new ATOM 0 HA ALA B 616 1.887 19.514 8.882 1.00 0.00 H new ATOM 0 HB1 ALA B 616 4.199 19.183 9.701 1.00 0.00 H new ATOM 0 HB2 ALA B 616 4.085 20.564 8.584 1.00 0.00 H new ATOM 0 HB3 ALA B 616 4.202 20.845 10.338 1.00 0.00 H new ATOM 1500 N GLY B 617 2.379 18.366 11.316 1.00 0.00 N ATOM 1501 CA GLY B 617 2.042 17.707 12.565 1.00 0.00 C ATOM 1502 C GLY B 617 2.620 16.309 12.656 1.00 0.00 C ATOM 1503 O GLY B 617 3.716 16.049 12.160 1.00 0.00 O ATOM 0 H GLY B 617 3.028 17.851 10.721 1.00 0.00 H new ATOM 0 HA2 GLY B 617 2.411 18.304 13.399 1.00 0.00 H new ATOM 0 HA3 GLY B 617 0.958 17.656 12.665 1.00 0.00 H new ATOM 1507 N ASP B 618 1.881 15.406 13.292 1.00 0.00 N ATOM 1508 CA ASP B 618 2.328 14.026 13.447 1.00 0.00 C ATOM 1509 C ASP B 618 1.397 13.069 12.709 1.00 0.00 C ATOM 1510 O ASP B 618 1.063 11.998 13.215 1.00 0.00 O ATOM 1511 CB ASP B 618 2.393 13.652 14.928 1.00 0.00 C ATOM 1512 CG ASP B 618 3.528 14.350 15.652 1.00 0.00 C ATOM 1513 OD1 ASP B 618 3.402 15.562 15.923 1.00 0.00 O ATOM 1514 OD2 ASP B 618 4.542 13.684 15.946 1.00 0.00 O ATOM 0 H ASP B 618 0.971 15.604 13.708 1.00 0.00 H new ATOM 0 HA ASP B 618 3.325 13.942 13.015 1.00 0.00 H new ATOM 0 HB2 ASP B 618 1.448 13.909 15.407 1.00 0.00 H new ATOM 0 HB3 ASP B 618 2.515 12.573 15.022 1.00 0.00 H new ATOM 1518 N MET B 619 0.983 13.461 11.509 1.00 0.00 N ATOM 1519 CA MET B 619 0.090 12.637 10.701 1.00 0.00 C ATOM 1520 C MET B 619 0.869 11.546 9.974 1.00 0.00 C ATOM 1521 O MET B 619 0.324 10.489 9.655 1.00 0.00 O ATOM 1522 CB MET B 619 -0.663 13.504 9.690 1.00 0.00 C ATOM 1523 CG MET B 619 0.250 14.232 8.714 1.00 0.00 C ATOM 1524 SD MET B 619 -0.401 15.839 8.222 1.00 0.00 S ATOM 1525 CE MET B 619 -1.939 15.356 7.441 1.00 0.00 C ATOM 0 H MET B 619 1.251 14.344 11.074 1.00 0.00 H new ATOM 0 HA MET B 619 -0.630 12.162 11.367 1.00 0.00 H new ATOM 0 HB2 MET B 619 -1.354 12.876 9.128 1.00 0.00 H new ATOM 0 HB3 MET B 619 -1.264 14.237 10.228 1.00 0.00 H new ATOM 0 HG2 MET B 619 1.231 14.366 9.171 1.00 0.00 H new ATOM 0 HG3 MET B 619 0.393 13.615 7.827 1.00 0.00 H new ATOM 0 HE1 MET B 619 -2.390 16.223 6.959 1.00 0.00 H new ATOM 0 HE2 MET B 619 -1.742 14.587 6.694 1.00 0.00 H new ATOM 0 HE3 MET B 619 -2.622 14.963 8.194 1.00 0.00 H new ATOM 1533 N ALA B 620 2.146 11.809 9.714 1.00 0.00 N ATOM 1534 CA ALA B 620 2.998 10.848 9.026 1.00 0.00 C ATOM 1535 C ALA B 620 2.983 9.496 9.731 1.00 0.00 C ATOM 1536 O ALA B 620 3.111 8.451 9.094 1.00 0.00 O ATOM 1537 CB ALA B 620 4.421 11.379 8.930 1.00 0.00 C ATOM 0 H ALA B 620 2.612 12.679 9.970 1.00 0.00 H new ATOM 0 HA ALA B 620 2.605 10.707 8.019 1.00 0.00 H new ATOM 0 HB1 ALA B 620 5.047 10.651 8.414 1.00 0.00 H new ATOM 0 HB2 ALA B 620 4.423 12.317 8.375 1.00 0.00 H new ATOM 0 HB3 ALA B 620 4.814 11.550 9.932 1.00 0.00 H new ATOM 1543 N GLY B 621 2.824 9.524 11.051 1.00 0.00 N ATOM 1544 CA GLY B 621 2.797 8.295 11.821 1.00 0.00 C ATOM 1545 C GLY B 621 1.782 7.301 11.289 1.00 0.00 C ATOM 1546 O GLY B 621 2.060 6.104 11.207 1.00 0.00 O ATOM 0 H GLY B 621 2.713 10.376 11.600 1.00 0.00 H new ATOM 0 HA2 GLY B 621 3.788 7.840 11.809 1.00 0.00 H new ATOM 0 HA3 GLY B 621 2.565 8.526 12.861 1.00 0.00 H new ATOM 1550 N TYR B 622 0.604 7.797 10.930 1.00 0.00 N ATOM 1551 CA TYR B 622 -0.457 6.944 10.408 1.00 0.00 C ATOM 1552 C TYR B 622 -0.045 6.313 9.081 1.00 0.00 C ATOM 1553 O TYR B 622 -0.368 5.158 8.805 1.00 0.00 O ATOM 1554 CB TYR B 622 -1.745 7.749 10.224 1.00 0.00 C ATOM 1555 CG TYR B 622 -2.649 7.730 11.436 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -2.505 8.670 12.450 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -3.648 6.773 11.566 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -3.328 8.655 13.559 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -4.477 6.752 12.671 1.00 0.00 C ATOM 1560 CZ TYR B 622 -4.313 7.695 13.665 1.00 0.00 C ATOM 1561 OH TYR B 622 -5.136 7.677 14.767 1.00 0.00 O ATOM 0 H TYR B 622 0.359 8.785 10.991 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.635 6.147 11.130 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -1.488 8.782 9.989 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -2.291 7.354 9.367 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -1.737 9.425 12.369 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -3.779 6.033 10.790 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -3.201 9.391 14.339 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -5.249 6.002 12.756 1.00 0.00 H new ATOM 0 HH TYR B 622 -5.776 6.939 14.686 1.00 0.00 H new ATOM 1570 N ALA B 623 0.669 7.080 8.265 1.00 0.00 N ATOM 1571 CA ALA B 623 1.127 6.597 6.968 1.00 0.00 C ATOM 1572 C ALA B 623 2.012 5.365 7.124 1.00 0.00 C ATOM 1573 O ALA B 623 2.013 4.478 6.271 1.00 0.00 O ATOM 1574 CB ALA B 623 1.876 7.697 6.230 1.00 0.00 C ATOM 0 H ALA B 623 0.943 8.039 8.479 1.00 0.00 H new ATOM 0 HA ALA B 623 0.252 6.313 6.383 1.00 0.00 H new ATOM 0 HB1 ALA B 623 2.212 7.323 5.263 1.00 0.00 H new ATOM 0 HB2 ALA B 623 1.214 8.550 6.079 1.00 0.00 H new ATOM 0 HB3 ALA B 623 2.739 8.008 6.819 1.00 0.00 H new ATOM 1580 N GLY B 624 2.765 5.317 8.219 1.00 0.00 N ATOM 1581 CA GLY B 624 3.645 4.188 8.464 1.00 0.00 C ATOM 1582 C GLY B 624 2.883 2.920 8.794 1.00 0.00 C ATOM 1583 O GLY B 624 3.362 1.814 8.539 1.00 0.00 O ATOM 0 H GLY B 624 2.782 6.038 8.940 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.265 4.017 7.584 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.318 4.428 9.287 1.00 0.00 H new ATOM 1587 N THR B 625 1.692 3.078 9.364 1.00 0.00 N ATOM 1588 CA THR B 625 0.863 1.936 9.731 1.00 0.00 C ATOM 1589 C THR B 625 0.609 1.033 8.530 1.00 0.00 C ATOM 1590 O THR B 625 0.560 -0.191 8.660 1.00 0.00 O ATOM 1591 CB THR B 625 -0.488 2.389 10.316 1.00 0.00 C ATOM 1592 OG1 THR B 625 -0.274 3.168 11.498 1.00 0.00 O ATOM 1593 CG2 THR B 625 -1.364 1.189 10.644 1.00 0.00 C ATOM 0 H THR B 625 1.280 3.985 9.581 1.00 0.00 H new ATOM 0 HA THR B 625 1.410 1.378 10.491 1.00 0.00 H new ATOM 0 HB THR B 625 -0.997 2.998 9.569 1.00 0.00 H new ATOM 0 HG1 THR B 625 -1.138 3.453 11.863 1.00 0.00 H new ATOM 0 HG21 THR B 625 -2.313 1.533 11.056 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.549 0.615 9.736 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.858 0.558 11.375 1.00 0.00 H new ATOM 1601 N LEU B 626 0.446 1.643 7.361 1.00 0.00 N ATOM 1602 CA LEU B 626 0.197 0.893 6.135 1.00 0.00 C ATOM 1603 C LEU B 626 1.426 0.086 5.731 1.00 0.00 C ATOM 1604 O LEU B 626 1.309 -1.029 5.223 1.00 0.00 O ATOM 1605 CB LEU B 626 -0.199 1.843 5.004 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.123 2.999 5.391 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -1.555 3.773 4.155 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -2.336 2.481 6.150 1.00 0.00 C ATOM 0 H LEU B 626 0.482 2.655 7.236 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.623 0.200 6.322 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.710 2.260 4.572 1.00 0.00 H new ATOM 0 HB3 LEU B 626 -0.686 1.261 4.221 1.00 0.00 H new ATOM 0 HG LEU B 626 -0.573 3.676 6.045 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -2.212 4.592 4.449 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -0.676 4.176 3.652 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -2.087 3.107 3.476 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -2.982 3.317 6.417 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -2.888 1.783 5.521 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -2.008 1.972 7.056 1.00 0.00 H new ATOM 1619 N GLN B 627 2.604 0.657 5.960 1.00 0.00 N ATOM 1620 CA GLN B 627 3.855 -0.010 5.620 1.00 0.00 C ATOM 1621 C GLN B 627 3.906 -1.411 6.220 1.00 0.00 C ATOM 1622 O GLN B 627 4.254 -2.376 5.540 1.00 0.00 O ATOM 1623 CB GLN B 627 5.047 0.812 6.115 1.00 0.00 C ATOM 1624 CG GLN B 627 6.152 0.963 5.082 1.00 0.00 C ATOM 1625 CD GLN B 627 7.476 0.395 5.556 1.00 0.00 C ATOM 1626 OE1 GLN B 627 7.513 -0.609 6.267 1.00 0.00 O ATOM 1627 NE2 GLN B 627 8.570 1.036 5.162 1.00 0.00 N ATOM 0 H GLN B 627 2.718 1.580 6.379 1.00 0.00 H new ATOM 0 HA GLN B 627 3.907 -0.097 4.535 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.698 1.802 6.409 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.457 0.340 7.008 1.00 0.00 H new ATOM 0 HG2 GLN B 627 5.854 0.461 4.161 1.00 0.00 H new ATOM 0 HG3 GLN B 627 6.279 2.019 4.843 1.00 0.00 H new ATOM 0 HE21 GLN B 627 8.491 1.865 4.573 1.00 0.00 H new ATOM 0 HE22 GLN B 627 9.489 0.700 5.449 1.00 0.00 H new ATOM 1634 N SER B 628 3.555 -1.516 7.498 1.00 0.00 N ATOM 1635 CA SER B 628 3.564 -2.798 8.190 1.00 0.00 C ATOM 1636 C SER B 628 2.361 -3.644 7.784 1.00 0.00 C ATOM 1637 O SER B 628 2.427 -4.874 7.771 1.00 0.00 O ATOM 1638 CB SER B 628 3.563 -2.584 9.705 1.00 0.00 C ATOM 1639 OG SER B 628 4.808 -2.950 10.274 1.00 0.00 O ATOM 0 H SER B 628 3.261 -0.728 8.075 1.00 0.00 H new ATOM 0 HA SER B 628 4.472 -3.329 7.906 1.00 0.00 H new ATOM 0 HB2 SER B 628 3.352 -1.538 9.927 1.00 0.00 H new ATOM 0 HB3 SER B 628 2.766 -3.173 10.158 1.00 0.00 H new ATOM 0 HG SER B 628 4.781 -2.802 11.242 1.00 0.00 H new ATOM 1644 N LEU B 629 1.261 -2.976 7.453 1.00 0.00 N ATOM 1645 CA LEU B 629 0.041 -3.664 7.046 1.00 0.00 C ATOM 1646 C LEU B 629 0.235 -4.369 5.707 1.00 0.00 C ATOM 1647 O LEU B 629 -0.270 -5.471 5.496 1.00 0.00 O ATOM 1648 CB LEU B 629 -1.119 -2.673 6.950 1.00 0.00 C ATOM 1649 CG LEU B 629 -2.519 -3.255 7.148 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -2.843 -4.252 6.046 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -2.634 -3.914 8.515 1.00 0.00 C ATOM 0 H LEU B 629 1.189 -1.959 7.459 1.00 0.00 H new ATOM 0 HA LEU B 629 -0.193 -4.415 7.801 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.964 -1.891 7.693 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -1.082 -2.195 5.971 1.00 0.00 H new ATOM 0 HG LEU B 629 -3.241 -2.440 7.097 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -3.843 -4.656 6.203 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -2.802 -3.751 5.079 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -2.117 -5.064 6.065 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -3.637 -4.323 8.639 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -1.902 -4.718 8.594 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -2.445 -3.174 9.293 1.00 0.00 H new ATOM 1662 N GLY B 630 0.971 -3.726 4.806 1.00 0.00 N ATOM 1663 CA GLY B 630 1.220 -4.306 3.499 1.00 0.00 C ATOM 1664 C GLY B 630 2.066 -5.562 3.576 1.00 0.00 C ATOM 1665 O GLY B 630 1.740 -6.575 2.957 1.00 0.00 O ATOM 0 H GLY B 630 1.400 -2.813 4.958 1.00 0.00 H new ATOM 0 HA2 GLY B 630 0.269 -4.541 3.021 1.00 0.00 H new ATOM 0 HA3 GLY B 630 1.721 -3.572 2.868 1.00 0.00 H new ATOM 1669 N ALA B 631 3.154 -5.496 4.335 1.00 0.00 N ATOM 1670 CA ALA B 631 4.048 -6.637 4.490 1.00 0.00 C ATOM 1671 C ALA B 631 3.282 -7.878 4.933 1.00 0.00 C ATOM 1672 O ALA B 631 3.573 -8.990 4.490 1.00 0.00 O ATOM 1673 CB ALA B 631 5.152 -6.312 5.485 1.00 0.00 C ATOM 0 H ALA B 631 3.438 -4.664 4.853 1.00 0.00 H new ATOM 0 HA ALA B 631 4.499 -6.848 3.520 1.00 0.00 H new ATOM 0 HB1 ALA B 631 5.812 -7.173 5.591 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.725 -5.457 5.126 1.00 0.00 H new ATOM 0 HB3 ALA B 631 4.711 -6.072 6.452 1.00 0.00 H new ATOM 1679 N GLU B 632 2.303 -7.682 5.810 1.00 0.00 N ATOM 1680 CA GLU B 632 1.497 -8.788 6.314 1.00 0.00 C ATOM 1681 C GLU B 632 0.852 -9.560 5.166 1.00 0.00 C ATOM 1682 O GLU B 632 0.845 -10.791 5.159 1.00 0.00 O ATOM 1683 CB GLU B 632 0.415 -8.269 7.263 1.00 0.00 C ATOM 1684 CG GLU B 632 0.942 -7.314 8.322 1.00 0.00 C ATOM 1685 CD GLU B 632 0.574 -7.741 9.729 1.00 0.00 C ATOM 1686 OE1 GLU B 632 -0.568 -7.466 10.154 1.00 0.00 O ATOM 1687 OE2 GLU B 632 1.427 -8.352 10.406 1.00 0.00 O ATOM 0 H GLU B 632 2.049 -6.769 6.186 1.00 0.00 H new ATOM 0 HA GLU B 632 2.156 -9.464 6.859 1.00 0.00 H new ATOM 0 HB2 GLU B 632 -0.355 -7.763 6.681 1.00 0.00 H new ATOM 0 HB3 GLU B 632 -0.062 -9.117 7.755 1.00 0.00 H new ATOM 0 HG2 GLU B 632 2.027 -7.248 8.239 1.00 0.00 H new ATOM 0 HG3 GLU B 632 0.547 -6.316 8.134 1.00 0.00 H new ATOM 1692 N ILE B 633 0.312 -8.826 4.197 1.00 0.00 N ATOM 1693 CA ILE B 633 -0.333 -9.440 3.045 1.00 0.00 C ATOM 1694 C ILE B 633 0.695 -10.046 2.096 1.00 0.00 C ATOM 1695 O ILE B 633 0.468 -11.102 1.509 1.00 0.00 O ATOM 1696 CB ILE B 633 -1.191 -8.422 2.271 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -2.260 -7.822 3.187 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.834 -9.083 1.060 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.319 -6.311 3.139 1.00 0.00 C ATOM 0 H ILE B 633 0.309 -7.806 4.188 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.978 -10.230 3.430 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.545 -7.617 1.921 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -3.234 -8.224 2.908 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -2.067 -8.138 4.212 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.437 -8.351 0.523 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -1.057 -9.467 0.399 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.469 -9.905 1.389 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.099 -5.956 3.813 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -1.358 -5.899 3.447 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -2.543 -5.988 2.122 1.00 0.00 H new ATOM 1710 N ALA B 634 1.830 -9.369 1.952 1.00 0.00 N ATOM 1711 CA ALA B 634 2.896 -9.841 1.078 1.00 0.00 C ATOM 1712 C ALA B 634 3.421 -11.198 1.537 1.00 0.00 C ATOM 1713 O ALA B 634 3.541 -12.130 0.741 1.00 0.00 O ATOM 1714 CB ALA B 634 4.028 -8.825 1.028 1.00 0.00 C ATOM 0 H ALA B 634 2.034 -8.491 2.430 1.00 0.00 H new ATOM 0 HA ALA B 634 2.484 -9.959 0.076 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.817 -9.191 0.371 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.649 -7.877 0.646 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.430 -8.678 2.031 1.00 0.00 H new ATOM 1720 N VAL B 635 3.736 -11.301 2.824 1.00 0.00 N ATOM 1721 CA VAL B 635 4.248 -12.544 3.389 1.00 0.00 C ATOM 1722 C VAL B 635 3.281 -13.698 3.146 1.00 0.00 C ATOM 1723 O VAL B 635 3.672 -14.751 2.645 1.00 0.00 O ATOM 1724 CB VAL B 635 4.501 -12.411 4.902 1.00 0.00 C ATOM 1725 CG1 VAL B 635 4.995 -13.728 5.479 1.00 0.00 C ATOM 1726 CG2 VAL B 635 5.493 -11.292 5.179 1.00 0.00 C ATOM 0 H VAL B 635 3.646 -10.538 3.495 1.00 0.00 H new ATOM 0 HA VAL B 635 5.193 -12.754 2.887 1.00 0.00 H new ATOM 0 HB VAL B 635 3.559 -12.160 5.390 1.00 0.00 H new ATOM 0 HG11 VAL B 635 5.168 -13.614 6.549 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.246 -14.502 5.313 1.00 0.00 H new ATOM 0 HG13 VAL B 635 5.926 -14.013 4.989 1.00 0.00 H new ATOM 0 HG21 VAL B 635 5.660 -11.212 6.253 1.00 0.00 H new ATOM 0 HG22 VAL B 635 6.437 -11.511 4.680 1.00 0.00 H new ATOM 0 HG23 VAL B 635 5.094 -10.350 4.803 1.00 0.00 H new ATOM 1736 N GLU B 636 2.018 -13.489 3.503 1.00 0.00 N ATOM 1737 CA GLU B 636 0.995 -14.513 3.324 1.00 0.00 C ATOM 1738 C GLU B 636 0.965 -15.005 1.880 1.00 0.00 C ATOM 1739 O GLU B 636 0.754 -16.190 1.621 1.00 0.00 O ATOM 1740 CB GLU B 636 -0.379 -13.967 3.718 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.463 -13.515 5.166 1.00 0.00 C ATOM 1742 CD GLU B 636 -1.475 -14.312 5.967 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -2.571 -14.585 5.436 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -1.169 -14.663 7.126 1.00 0.00 O ATOM 0 H GLU B 636 1.679 -12.621 3.917 1.00 0.00 H new ATOM 0 HA GLU B 636 1.242 -15.355 3.971 1.00 0.00 H new ATOM 0 HB2 GLU B 636 -0.626 -13.127 3.069 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -1.130 -14.737 3.543 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.519 -13.610 5.630 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -0.730 -12.459 5.198 1.00 0.00 H new ATOM 1749 N GLN B 637 1.178 -14.086 0.943 1.00 0.00 N ATOM 1750 CA GLN B 637 1.174 -14.426 -0.474 1.00 0.00 C ATOM 1751 C GLN B 637 2.440 -15.186 -0.856 1.00 0.00 C ATOM 1752 O GLN B 637 2.421 -16.036 -1.746 1.00 0.00 O ATOM 1753 CB GLN B 637 1.050 -13.160 -1.324 1.00 0.00 C ATOM 1754 CG GLN B 637 1.849 -13.213 -2.616 1.00 0.00 C ATOM 1755 CD GLN B 637 3.291 -12.788 -2.428 1.00 0.00 C ATOM 1756 OE1 GLN B 637 4.219 -13.659 -2.805 1.00 0.00 O flip ATOM 1757 NE2 GLN B 637 3.569 -11.689 -1.948 1.00 0.00 N flip ATOM 0 H GLN B 637 1.355 -13.101 1.140 1.00 0.00 H new ATOM 0 HA GLN B 637 0.315 -15.069 -0.664 1.00 0.00 H new ATOM 0 HB2 GLN B 637 -0.001 -12.995 -1.563 1.00 0.00 H new ATOM 0 HB3 GLN B 637 1.382 -12.304 -0.736 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.822 -14.227 -3.014 1.00 0.00 H new ATOM 0 HG3 GLN B 637 1.378 -12.567 -3.357 1.00 0.00 H new ATOM 0 HE21 GLN B 637 2.824 -11.050 -1.672 1.00 0.00 H new ATOM 0 HE22 GLN B 637 4.545 -11.417 -1.827 1.00 0.00 H new ATOM 1764 N ALA B 638 3.539 -14.873 -0.177 1.00 0.00 N ATOM 1765 CA ALA B 638 4.814 -15.528 -0.443 1.00 0.00 C ATOM 1766 C ALA B 638 4.829 -16.947 0.115 1.00 0.00 C ATOM 1767 O ALA B 638 5.576 -17.802 -0.361 1.00 0.00 O ATOM 1768 CB ALA B 638 5.957 -14.715 0.145 1.00 0.00 C ATOM 0 H ALA B 638 3.572 -14.170 0.561 1.00 0.00 H new ATOM 0 HA ALA B 638 4.945 -15.590 -1.523 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.903 -15.216 -0.061 1.00 0.00 H new ATOM 0 HB2 ALA B 638 5.966 -13.722 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.822 -14.624 1.223 1.00 0.00 H new ATOM 1774 N ALA B 639 4.002 -17.190 1.126 1.00 0.00 N ATOM 1775 CA ALA B 639 3.919 -18.505 1.747 1.00 0.00 C ATOM 1776 C ALA B 639 3.010 -19.433 0.950 1.00 0.00 C ATOM 1777 O ALA B 639 3.147 -20.656 1.009 1.00 0.00 O ATOM 1778 CB ALA B 639 3.425 -18.382 3.181 1.00 0.00 C ATOM 0 H ALA B 639 3.379 -16.492 1.533 1.00 0.00 H new ATOM 0 HA ALA B 639 4.919 -18.939 1.755 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.368 -19.372 3.632 1.00 0.00 H new ATOM 0 HB2 ALA B 639 4.116 -17.762 3.752 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.436 -17.923 3.187 1.00 0.00 H new ATOM 1784 N LEU B 640 2.079 -18.846 0.205 1.00 0.00 N ATOM 1785 CA LEU B 640 1.145 -19.620 -0.605 1.00 0.00 C ATOM 1786 C LEU B 640 1.470 -19.487 -2.089 1.00 0.00 C ATOM 1787 O LEU B 640 0.579 -19.535 -2.935 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.290 -19.161 -0.341 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.668 -18.946 1.124 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -1.941 -18.120 1.232 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.835 -20.282 1.835 1.00 0.00 C ATOM 0 H LEU B 640 1.951 -17.836 0.145 1.00 0.00 H new ATOM 0 HA LEU B 640 1.242 -20.669 -0.325 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.456 -18.228 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -0.970 -19.899 -0.766 1.00 0.00 H new ATOM 0 HG LEU B 640 0.139 -18.397 1.610 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.194 -17.977 2.283 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.786 -17.149 0.761 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.756 -18.641 0.730 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -1.104 -20.109 2.877 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.622 -20.857 1.348 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.102 -20.838 1.790 1.00 0.00 H new ATOM 1802 N GLN B 641 2.753 -19.322 -2.396 1.00 0.00 N ATOM 1803 CA GLN B 641 3.195 -19.183 -3.778 1.00 0.00 C ATOM 1804 C GLN B 641 2.803 -20.406 -4.600 1.00 0.00 C ATOM 1805 O GLN B 641 2.245 -20.280 -5.690 1.00 0.00 O ATOM 1806 CB GLN B 641 4.711 -18.981 -3.833 1.00 0.00 C ATOM 1807 CG GLN B 641 5.167 -17.646 -3.265 1.00 0.00 C ATOM 1808 CD GLN B 641 5.026 -16.511 -4.258 1.00 0.00 C ATOM 1809 OE1 GLN B 641 3.803 -16.023 -4.430 1.00 0.00 O flip ATOM 1810 NE2 GLN B 641 6.005 -16.075 -4.866 1.00 0.00 N flip ATOM 0 H GLN B 641 3.504 -19.281 -1.707 1.00 0.00 H new ATOM 0 HA GLN B 641 2.703 -18.309 -4.204 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.197 -19.786 -3.282 1.00 0.00 H new ATOM 0 HB3 GLN B 641 5.042 -19.058 -4.869 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.585 -17.417 -2.373 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.209 -17.725 -2.954 1.00 0.00 H new ATOM 0 HE21 GLN B 641 6.927 -16.479 -4.704 1.00 0.00 H new ATOM 0 HE22 GLN B 641 5.893 -15.310 -5.531 1.00 0.00 H new ATOM 1817 N SER B 642 3.100 -21.589 -4.070 1.00 0.00 N ATOM 1818 CA SER B 642 2.782 -22.835 -4.758 1.00 0.00 C ATOM 1819 C SER B 642 1.295 -22.908 -5.092 1.00 0.00 C ATOM 1820 O SER B 642 0.893 -23.584 -6.038 1.00 0.00 O ATOM 1821 CB SER B 642 3.182 -24.034 -3.895 1.00 0.00 C ATOM 1822 OG SER B 642 4.369 -23.766 -3.169 1.00 0.00 O ATOM 0 H SER B 642 3.560 -21.710 -3.168 1.00 0.00 H new ATOM 0 HA SER B 642 3.347 -22.861 -5.690 1.00 0.00 H new ATOM 0 HB2 SER B 642 2.375 -24.273 -3.203 1.00 0.00 H new ATOM 0 HB3 SER B 642 3.329 -24.909 -4.528 1.00 0.00 H new ATOM 0 HG SER B 642 4.139 -23.397 -2.291 1.00 0.00 H new ATOM 1827 N ALA B 643 0.484 -22.205 -4.308 1.00 0.00 N ATOM 1828 CA ALA B 643 -0.958 -22.188 -4.520 1.00 0.00 C ATOM 1829 C ALA B 643 -1.329 -21.281 -5.689 1.00 0.00 C ATOM 1830 O ALA B 643 -2.308 -21.531 -6.394 1.00 0.00 O ATOM 1831 CB ALA B 643 -1.672 -21.738 -3.254 1.00 0.00 C ATOM 0 H ALA B 643 0.801 -21.640 -3.520 1.00 0.00 H new ATOM 0 HA ALA B 643 -1.277 -23.201 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -2.748 -21.730 -3.427 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -1.440 -22.426 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.340 -20.735 -2.986 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.543 -20.229 -5.888 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.792 -19.285 -6.973 1.00 0.00 C ATOM 1839 C TRP B 644 -0.934 -20.012 -8.305 1.00 0.00 C ATOM 1840 O TRP B 644 -0.297 -21.039 -8.533 1.00 0.00 O ATOM 1841 CB TRP B 644 0.343 -18.262 -7.055 1.00 0.00 C ATOM 1842 CG TRP B 644 -0.024 -17.030 -7.825 1.00 0.00 C ATOM 1843 CD1 TRP B 644 0.001 -16.875 -9.182 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.467 -15.780 -7.285 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.401 -15.604 -9.517 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.694 -14.913 -8.370 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.696 -15.311 -5.988 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -1.137 -13.605 -8.198 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.135 -14.012 -5.819 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.354 -13.172 -6.918 1.00 0.00 C ATOM 0 H TRP B 644 0.271 -20.008 -5.314 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.727 -18.765 -6.763 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.639 -17.976 -6.046 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.211 -18.729 -7.522 1.00 0.00 H new ATOM 0 HD1 TRP B 644 0.294 -17.639 -9.888 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.470 -15.235 -10.465 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.533 -15.952 -5.134 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.304 -12.955 -9.044 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.312 -13.638 -4.822 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.701 -12.163 -6.752 1.00 0.00 H new ATOM 1860 N GLN B 645 -1.775 -19.472 -9.182 1.00 0.00 N ATOM 1861 CA GLN B 645 -2.000 -20.071 -10.492 1.00 0.00 C ATOM 1862 C GLN B 645 -1.094 -19.439 -11.543 1.00 0.00 C ATOM 1863 O GLN B 645 -0.152 -20.067 -12.024 1.00 0.00 O ATOM 1864 CB GLN B 645 -3.465 -19.912 -10.903 1.00 0.00 C ATOM 1865 CG GLN B 645 -4.446 -20.496 -9.899 1.00 0.00 C ATOM 1866 CD GLN B 645 -4.561 -22.004 -10.004 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -5.342 -22.524 -10.801 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -3.782 -22.716 -9.198 1.00 0.00 N ATOM 0 H GLN B 645 -2.311 -18.622 -9.009 1.00 0.00 H new ATOM 0 HA GLN B 645 -1.761 -21.132 -10.424 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -3.683 -18.852 -11.037 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -3.617 -20.394 -11.869 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -4.130 -20.229 -8.891 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -5.428 -20.049 -10.054 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -3.149 -22.244 -8.552 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -3.817 -23.735 -9.224 1.00 0.00 H new ATOM 1875 N GLY B 646 -1.387 -18.191 -11.897 1.00 0.00 N ATOM 1876 CA GLY B 646 -0.588 -17.495 -12.889 1.00 0.00 C ATOM 1877 C GLY B 646 -1.289 -17.395 -14.229 1.00 0.00 C ATOM 1878 O GLY B 646 -0.941 -16.553 -15.058 1.00 0.00 O ATOM 0 H GLY B 646 -2.163 -17.650 -11.515 1.00 0.00 H new ATOM 0 HA2 GLY B 646 -0.357 -16.493 -12.527 1.00 0.00 H new ATOM 0 HA3 GLY B 646 0.361 -18.015 -13.017 1.00 0.00 H new ATOM 1882 N ASP B 647 -2.276 -18.257 -14.445 1.00 0.00 N ATOM 1883 CA ASP B 647 -3.028 -18.262 -15.695 1.00 0.00 C ATOM 1884 C ASP B 647 -4.329 -17.480 -15.551 1.00 0.00 C ATOM 1885 O ASP B 647 -5.301 -17.732 -16.264 1.00 0.00 O ATOM 1886 CB ASP B 647 -3.326 -19.699 -16.129 1.00 0.00 C ATOM 1887 CG ASP B 647 -2.927 -19.963 -17.568 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -3.660 -19.524 -18.478 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -1.881 -20.610 -17.783 1.00 0.00 O ATOM 0 H ASP B 647 -2.574 -18.962 -13.771 1.00 0.00 H new ATOM 0 HA ASP B 647 -2.419 -17.779 -16.459 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -2.795 -20.391 -15.475 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -4.391 -19.899 -16.007 1.00 0.00 H new ATOM 1893 N THR B 648 -4.342 -16.529 -14.622 1.00 0.00 N ATOM 1894 CA THR B 648 -5.525 -15.712 -14.381 1.00 0.00 C ATOM 1895 C THR B 648 -5.229 -14.235 -14.616 1.00 0.00 C ATOM 1896 O THR B 648 -6.106 -13.473 -15.022 1.00 0.00 O ATOM 1897 CB THR B 648 -6.053 -15.896 -12.946 1.00 0.00 C ATOM 1898 OG1 THR B 648 -4.967 -15.838 -12.014 1.00 0.00 O ATOM 1899 CG2 THR B 648 -6.781 -17.224 -12.804 1.00 0.00 C ATOM 0 H THR B 648 -3.546 -16.306 -14.024 1.00 0.00 H new ATOM 0 HA THR B 648 -6.288 -16.044 -15.085 1.00 0.00 H new ATOM 0 HB THR B 648 -6.756 -15.091 -12.734 1.00 0.00 H new ATOM 0 HG1 THR B 648 -5.100 -16.511 -11.314 1.00 0.00 H new ATOM 0 HG21 THR B 648 -7.145 -17.332 -11.782 1.00 0.00 H new ATOM 0 HG22 THR B 648 -7.624 -17.252 -13.494 1.00 0.00 H new ATOM 0 HG23 THR B 648 -6.096 -18.041 -13.033 1.00 0.00 H new ATOM 1907 N GLY B 649 -3.987 -13.837 -14.360 1.00 0.00 N ATOM 1908 CA GLY B 649 -3.597 -12.452 -14.550 1.00 0.00 C ATOM 1909 C GLY B 649 -2.207 -12.161 -14.020 1.00 0.00 C ATOM 1910 O GLY B 649 -1.211 -12.425 -14.695 1.00 0.00 O ATOM 0 H GLY B 649 -3.243 -14.449 -14.024 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -3.635 -12.210 -15.612 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.316 -11.804 -14.049 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.139 -11.616 -12.811 1.00 0.00 N ATOM 1915 CA ILE B 650 -0.861 -11.290 -12.191 1.00 0.00 C ATOM 1916 C ILE B 650 -0.144 -12.549 -11.712 1.00 0.00 C ATOM 1917 O ILE B 650 -0.775 -13.494 -11.239 1.00 0.00 O ATOM 1918 CB ILE B 650 -1.040 -10.331 -10.999 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -1.716 -9.036 -11.456 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.304 -10.034 -10.351 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -1.911 -8.032 -10.342 1.00 0.00 C ATOM 0 H ILE B 650 -2.954 -11.391 -12.241 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.258 -10.799 -12.955 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.679 -10.811 -10.258 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.116 -8.581 -12.244 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.686 -9.276 -11.892 1.00 0.00 H new ATOM 0 HG21 ILE B 650 0.161 -9.355 -9.510 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.750 -10.963 -9.995 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.966 -9.571 -11.083 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.395 -7.139 -10.738 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.536 -8.469 -9.564 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -0.942 -7.763 -9.921 1.00 0.00 H new ATOM 1932 N THR B 651 1.179 -12.554 -11.838 1.00 0.00 N ATOM 1933 CA THR B 651 1.982 -13.695 -11.419 1.00 0.00 C ATOM 1934 C THR B 651 2.565 -13.476 -10.028 1.00 0.00 C ATOM 1935 O THR B 651 2.458 -12.386 -9.464 1.00 0.00 O ATOM 1936 CB THR B 651 3.133 -13.966 -12.407 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.869 -13.317 -13.656 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.309 -15.460 -12.635 1.00 0.00 C ATOM 0 H THR B 651 1.717 -11.780 -12.227 1.00 0.00 H new ATOM 0 HA THR B 651 1.317 -14.559 -11.400 1.00 0.00 H new ATOM 0 HB THR B 651 4.053 -13.568 -11.978 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.606 -13.492 -14.278 1.00 0.00 H new ATOM 0 HG21 THR B 651 4.127 -15.627 -13.336 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.537 -15.948 -11.688 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.389 -15.876 -13.045 1.00 0.00 H new ATOM 1946 N TYR B 652 3.180 -14.517 -9.479 1.00 0.00 N ATOM 1947 CA TYR B 652 3.779 -14.438 -8.151 1.00 0.00 C ATOM 1948 C TYR B 652 4.937 -13.446 -8.133 1.00 0.00 C ATOM 1949 O TYR B 652 5.118 -12.704 -7.168 1.00 0.00 O ATOM 1950 CB TYR B 652 4.267 -15.818 -7.707 1.00 0.00 C ATOM 1951 CG TYR B 652 5.348 -16.392 -8.594 1.00 0.00 C ATOM 1952 CD1 TYR B 652 5.025 -17.146 -9.716 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.692 -16.182 -8.312 1.00 0.00 C ATOM 1954 CE1 TYR B 652 6.008 -17.674 -10.530 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.682 -16.704 -9.121 1.00 0.00 C ATOM 1956 CZ TYR B 652 7.336 -17.449 -10.228 1.00 0.00 C ATOM 1957 OH TYR B 652 8.319 -17.973 -11.037 1.00 0.00 O ATOM 0 H TYR B 652 3.277 -15.426 -9.932 1.00 0.00 H new ATOM 0 HA TYR B 652 3.016 -14.088 -7.456 1.00 0.00 H new ATOM 0 HB2 TYR B 652 4.644 -15.750 -6.687 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.421 -16.505 -7.689 1.00 0.00 H new ATOM 0 HD1 TYR B 652 3.987 -17.322 -9.956 1.00 0.00 H new ATOM 0 HD2 TYR B 652 6.967 -15.600 -7.445 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.739 -18.259 -11.397 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.722 -16.529 -8.888 1.00 0.00 H new ATOM 0 HH TYR B 652 9.199 -17.722 -10.687 1.00 0.00 H new ATOM 1966 N GLN B 653 5.718 -13.438 -9.209 1.00 0.00 N ATOM 1967 CA GLN B 653 6.859 -12.537 -9.317 1.00 0.00 C ATOM 1968 C GLN B 653 6.400 -11.106 -9.572 1.00 0.00 C ATOM 1969 O GLN B 653 6.942 -10.159 -9.003 1.00 0.00 O ATOM 1970 CB GLN B 653 7.791 -12.994 -10.441 1.00 0.00 C ATOM 1971 CG GLN B 653 7.115 -13.067 -11.801 1.00 0.00 C ATOM 1972 CD GLN B 653 8.024 -13.630 -12.875 1.00 0.00 C ATOM 1973 OE1 GLN B 653 9.010 -14.305 -12.579 1.00 0.00 O ATOM 1974 NE2 GLN B 653 7.696 -13.355 -14.132 1.00 0.00 N ATOM 0 H GLN B 653 5.581 -14.045 -10.017 1.00 0.00 H new ATOM 0 HA GLN B 653 7.401 -12.562 -8.372 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.637 -12.309 -10.501 1.00 0.00 H new ATOM 0 HB3 GLN B 653 8.193 -13.976 -10.191 1.00 0.00 H new ATOM 0 HG2 GLN B 653 6.221 -13.686 -11.725 1.00 0.00 H new ATOM 0 HG3 GLN B 653 6.788 -12.069 -12.094 1.00 0.00 H new ATOM 0 HE21 GLN B 653 6.870 -12.791 -14.332 1.00 0.00 H new ATOM 0 HE22 GLN B 653 8.270 -13.707 -14.898 1.00 0.00 H new ATOM 1981 N ALA B 654 5.397 -10.955 -10.431 1.00 0.00 N ATOM 1982 CA ALA B 654 4.864 -9.639 -10.761 1.00 0.00 C ATOM 1983 C ALA B 654 4.131 -9.030 -9.570 1.00 0.00 C ATOM 1984 O ALA B 654 4.293 -7.847 -9.268 1.00 0.00 O ATOM 1985 CB ALA B 654 3.937 -9.730 -11.963 1.00 0.00 C ATOM 0 H ALA B 654 4.937 -11.728 -10.911 1.00 0.00 H new ATOM 0 HA ALA B 654 5.701 -8.988 -11.012 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.547 -8.740 -12.197 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.490 -10.115 -12.820 1.00 0.00 H new ATOM 0 HB3 ALA B 654 3.109 -10.401 -11.734 1.00 0.00 H new ATOM 1991 N TRP B 655 3.324 -9.844 -8.899 1.00 0.00 N ATOM 1992 CA TRP B 655 2.566 -9.384 -7.741 1.00 0.00 C ATOM 1993 C TRP B 655 3.499 -8.915 -6.630 1.00 0.00 C ATOM 1994 O TRP B 655 3.263 -7.881 -6.006 1.00 0.00 O ATOM 1995 CB TRP B 655 1.659 -10.503 -7.223 1.00 0.00 C ATOM 1996 CG TRP B 655 0.659 -10.035 -6.210 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.671 -9.803 -6.417 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.909 -9.740 -4.832 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.262 -9.382 -5.251 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.314 -9.336 -4.263 1.00 0.00 C ATOM 2001 CE3 TRP B 655 2.048 -9.780 -4.022 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.428 -8.973 -2.923 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.933 -9.420 -2.693 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.701 -9.022 -2.154 1.00 0.00 C ATOM 0 H TRP B 655 3.178 -10.825 -9.137 1.00 0.00 H new ATOM 0 HA TRP B 655 1.950 -8.540 -8.053 1.00 0.00 H new ATOM 0 HB2 TRP B 655 1.131 -10.952 -8.064 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.276 -11.285 -6.780 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.183 -9.932 -7.359 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.247 -9.142 -5.139 1.00 0.00 H new ATOM 0 HE3 TRP B 655 3.001 -10.087 -4.428 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.375 -8.664 -2.506 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.807 -9.446 -2.059 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.643 -8.749 -1.111 1.00 0.00 H new ATOM 2014 N GLN B 656 4.557 -9.683 -6.389 1.00 0.00 N ATOM 2015 CA GLN B 656 5.525 -9.343 -5.352 1.00 0.00 C ATOM 2016 C GLN B 656 6.041 -7.920 -5.532 1.00 0.00 C ATOM 2017 O GLN B 656 5.950 -7.096 -4.623 1.00 0.00 O ATOM 2018 CB GLN B 656 6.695 -10.329 -5.374 1.00 0.00 C ATOM 2019 CG GLN B 656 6.369 -11.675 -4.746 1.00 0.00 C ATOM 2020 CD GLN B 656 7.048 -11.872 -3.405 1.00 0.00 C ATOM 2021 OE1 GLN B 656 6.300 -11.667 -2.327 1.00 0.00 O flip ATOM 2022 NE2 GLN B 656 8.231 -12.205 -3.338 1.00 0.00 N flip ATOM 0 H GLN B 656 4.766 -10.543 -6.896 1.00 0.00 H new ATOM 0 HA GLN B 656 5.022 -9.407 -4.387 1.00 0.00 H new ATOM 0 HB2 GLN B 656 7.008 -10.485 -6.406 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.541 -9.887 -4.848 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.290 -11.761 -4.619 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.674 -12.472 -5.424 1.00 0.00 H new ATOM 0 HE21 GLN B 656 8.769 -12.352 -4.192 1.00 0.00 H new ATOM 0 HE22 GLN B 656 8.674 -12.334 -2.428 1.00 0.00 H new ATOM 2029 N ALA B 657 6.582 -7.638 -6.713 1.00 0.00 N ATOM 2030 CA ALA B 657 7.111 -6.313 -7.013 1.00 0.00 C ATOM 2031 C ALA B 657 5.992 -5.280 -7.090 1.00 0.00 C ATOM 2032 O ALA B 657 6.132 -4.164 -6.589 1.00 0.00 O ATOM 2033 CB ALA B 657 7.895 -6.341 -8.317 1.00 0.00 C ATOM 0 H ALA B 657 6.665 -8.309 -7.477 1.00 0.00 H new ATOM 0 HA ALA B 657 7.782 -6.025 -6.204 1.00 0.00 H new ATOM 0 HB1 ALA B 657 8.284 -5.345 -8.529 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.724 -7.043 -8.228 1.00 0.00 H new ATOM 0 HB3 ALA B 657 7.239 -6.655 -9.129 1.00 0.00 H new ATOM 2039 N GLN B 658 4.884 -5.658 -7.719 1.00 0.00 N ATOM 2040 CA GLN B 658 3.743 -4.763 -7.862 1.00 0.00 C ATOM 2041 C GLN B 658 3.267 -4.266 -6.501 1.00 0.00 C ATOM 2042 O GLN B 658 2.983 -3.081 -6.326 1.00 0.00 O ATOM 2043 CB GLN B 658 2.598 -5.473 -8.587 1.00 0.00 C ATOM 2044 CG GLN B 658 2.655 -5.332 -10.099 1.00 0.00 C ATOM 2045 CD GLN B 658 1.399 -5.836 -10.780 1.00 0.00 C ATOM 2046 OE1 GLN B 658 0.475 -5.069 -11.053 1.00 0.00 O ATOM 2047 NE2 GLN B 658 1.357 -7.134 -11.061 1.00 0.00 N ATOM 0 H GLN B 658 4.753 -6.579 -8.138 1.00 0.00 H new ATOM 0 HA GLN B 658 4.060 -3.903 -8.452 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.616 -6.532 -8.328 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.649 -5.074 -8.229 1.00 0.00 H new ATOM 0 HG2 GLN B 658 2.808 -4.284 -10.357 1.00 0.00 H new ATOM 0 HG3 GLN B 658 3.516 -5.882 -10.479 1.00 0.00 H new ATOM 0 HE21 GLN B 658 2.145 -7.734 -10.817 1.00 0.00 H new ATOM 0 HE22 GLN B 658 0.537 -7.530 -11.520 1.00 0.00 H new ATOM 2054 N TRP B 659 3.184 -5.179 -5.540 1.00 0.00 N ATOM 2055 CA TRP B 659 2.743 -4.833 -4.193 1.00 0.00 C ATOM 2056 C TRP B 659 3.724 -3.874 -3.528 1.00 0.00 C ATOM 2057 O TRP B 659 3.347 -2.787 -3.095 1.00 0.00 O ATOM 2058 CB TRP B 659 2.589 -6.096 -3.344 1.00 0.00 C ATOM 2059 CG TRP B 659 1.969 -5.840 -2.004 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.623 -5.693 -0.814 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.574 -5.701 -1.718 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.718 -5.472 0.196 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.453 -5.472 -0.333 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.586 -5.747 -2.496 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.780 -5.289 0.287 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.810 -5.566 -1.880 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.899 -5.339 -0.500 1.00 0.00 C ATOM 0 H TRP B 659 3.416 -6.164 -5.668 1.00 0.00 H new ATOM 0 HA TRP B 659 1.776 -4.336 -4.271 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.978 -6.818 -3.887 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.569 -6.551 -3.202 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.694 -5.743 -0.686 1.00 0.00 H new ATOM 0 HE1 TRP B 659 1.950 -5.331 1.179 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.527 -5.921 -3.560 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.851 -5.114 1.350 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.713 -5.600 -2.472 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.870 -5.201 -0.048 1.00 0.00 H new ATOM 2077 N ASN B 660 4.985 -4.286 -3.450 1.00 0.00 N ATOM 2078 CA ASN B 660 6.021 -3.463 -2.837 1.00 0.00 C ATOM 2079 C ASN B 660 6.074 -2.082 -3.485 1.00 0.00 C ATOM 2080 O ASN B 660 6.045 -1.062 -2.797 1.00 0.00 O ATOM 2081 CB ASN B 660 7.385 -4.147 -2.957 1.00 0.00 C ATOM 2082 CG ASN B 660 8.102 -4.244 -1.625 1.00 0.00 C ATOM 2083 OD1 ASN B 660 8.005 -5.253 -0.927 1.00 0.00 O ATOM 2084 ND2 ASN B 660 8.829 -3.191 -1.266 1.00 0.00 N ATOM 0 H ASN B 660 5.314 -5.184 -3.803 1.00 0.00 H new ATOM 0 HA ASN B 660 5.775 -3.341 -1.782 1.00 0.00 H new ATOM 0 HB2 ASN B 660 7.252 -5.148 -3.368 1.00 0.00 H new ATOM 0 HB3 ASN B 660 8.006 -3.593 -3.661 1.00 0.00 H new ATOM 0 HD21 ASN B 660 9.335 -3.199 -0.380 1.00 0.00 H new ATOM 0 HD22 ASN B 660 8.881 -2.375 -1.876 1.00 0.00 H new ATOM 2090 N GLN B 661 6.150 -2.060 -4.812 1.00 0.00 N ATOM 2091 CA GLN B 661 6.206 -0.805 -5.552 1.00 0.00 C ATOM 2092 C GLN B 661 4.968 0.043 -5.281 1.00 0.00 C ATOM 2093 O GLN B 661 5.069 1.243 -5.024 1.00 0.00 O ATOM 2094 CB GLN B 661 6.333 -1.079 -7.052 1.00 0.00 C ATOM 2095 CG GLN B 661 7.713 -1.563 -7.467 1.00 0.00 C ATOM 2096 CD GLN B 661 8.596 -0.442 -7.975 1.00 0.00 C ATOM 2097 OE1 GLN B 661 8.649 -0.172 -9.175 1.00 0.00 O ATOM 2098 NE2 GLN B 661 9.297 0.220 -7.061 1.00 0.00 N ATOM 0 H GLN B 661 6.174 -2.896 -5.396 1.00 0.00 H new ATOM 0 HA GLN B 661 7.083 -0.252 -5.215 1.00 0.00 H new ATOM 0 HB2 GLN B 661 5.593 -1.826 -7.340 1.00 0.00 H new ATOM 0 HB3 GLN B 661 6.097 -0.167 -7.601 1.00 0.00 H new ATOM 0 HG2 GLN B 661 8.196 -2.044 -6.616 1.00 0.00 H new ATOM 0 HG3 GLN B 661 7.610 -2.320 -8.245 1.00 0.00 H new ATOM 0 HE21 GLN B 661 9.223 -0.037 -6.077 1.00 0.00 H new ATOM 0 HE22 GLN B 661 9.909 0.985 -7.344 1.00 0.00 H new ATOM 2105 N ALA B 662 3.800 -0.588 -5.340 1.00 0.00 N ATOM 2106 CA ALA B 662 2.543 0.109 -5.099 1.00 0.00 C ATOM 2107 C ALA B 662 2.513 0.721 -3.703 1.00 0.00 C ATOM 2108 O ALA B 662 2.279 1.919 -3.546 1.00 0.00 O ATOM 2109 CB ALA B 662 1.369 -0.841 -5.286 1.00 0.00 C ATOM 0 H ALA B 662 3.698 -1.580 -5.553 1.00 0.00 H new ATOM 0 HA ALA B 662 2.461 0.919 -5.824 1.00 0.00 H new ATOM 0 HB1 ALA B 662 0.436 -0.307 -5.103 1.00 0.00 H new ATOM 0 HB2 ALA B 662 1.372 -1.227 -6.305 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.456 -1.670 -4.584 1.00 0.00 H new ATOM 2115 N MET B 663 2.750 -0.109 -2.693 1.00 0.00 N ATOM 2116 CA MET B 663 2.752 0.353 -1.309 1.00 0.00 C ATOM 2117 C MET B 663 3.715 1.521 -1.127 1.00 0.00 C ATOM 2118 O MET B 663 3.397 2.498 -0.449 1.00 0.00 O ATOM 2119 CB MET B 663 3.134 -0.790 -0.368 1.00 0.00 C ATOM 2120 CG MET B 663 1.957 -1.361 0.405 1.00 0.00 C ATOM 2121 SD MET B 663 1.975 -0.893 2.146 1.00 0.00 S ATOM 2122 CE MET B 663 0.227 -0.958 2.533 1.00 0.00 C ATOM 0 H MET B 663 2.943 -1.104 -2.806 1.00 0.00 H new ATOM 0 HA MET B 663 1.746 0.694 -1.065 1.00 0.00 H new ATOM 0 HB2 MET B 663 3.598 -1.588 -0.948 1.00 0.00 H new ATOM 0 HB3 MET B 663 3.883 -0.433 0.339 1.00 0.00 H new ATOM 0 HG2 MET B 663 1.028 -1.017 -0.050 1.00 0.00 H new ATOM 0 HG3 MET B 663 1.968 -2.448 0.325 1.00 0.00 H new ATOM 0 HE1 MET B 663 -0.113 0.028 2.849 1.00 0.00 H new ATOM 0 HE2 MET B 663 -0.330 -1.267 1.649 1.00 0.00 H new ATOM 0 HE3 MET B 663 0.059 -1.675 3.337 1.00 0.00 H new ATOM 2130 N GLU B 664 4.892 1.414 -1.735 1.00 0.00 N ATOM 2131 CA GLU B 664 5.901 2.461 -1.637 1.00 0.00 C ATOM 2132 C GLU B 664 5.313 3.819 -2.012 1.00 0.00 C ATOM 2133 O GLU B 664 5.375 4.771 -1.233 1.00 0.00 O ATOM 2134 CB GLU B 664 7.091 2.141 -2.545 1.00 0.00 C ATOM 2135 CG GLU B 664 8.315 2.998 -2.269 1.00 0.00 C ATOM 2136 CD GLU B 664 9.608 2.209 -2.341 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.938 1.518 -1.356 1.00 0.00 O ATOM 2138 OE2 GLU B 664 10.289 2.284 -3.385 1.00 0.00 O ATOM 0 H GLU B 664 5.170 0.612 -2.301 1.00 0.00 H new ATOM 0 HA GLU B 664 6.243 2.504 -0.603 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.358 1.091 -2.423 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.791 2.275 -3.584 1.00 0.00 H new ATOM 0 HG2 GLU B 664 8.352 3.815 -2.990 1.00 0.00 H new ATOM 0 HG3 GLU B 664 8.223 3.448 -1.281 1.00 0.00 H new ATOM 2143 N ASP B 665 4.743 3.900 -3.209 1.00 0.00 N ATOM 2144 CA ASP B 665 4.143 5.141 -3.688 1.00 0.00 C ATOM 2145 C ASP B 665 2.866 5.460 -2.916 1.00 0.00 C ATOM 2146 O ASP B 665 2.494 6.624 -2.766 1.00 0.00 O ATOM 2147 CB ASP B 665 3.839 5.041 -5.183 1.00 0.00 C ATOM 2148 CG ASP B 665 3.392 6.364 -5.773 1.00 0.00 C ATOM 2149 OD1 ASP B 665 3.930 7.410 -5.357 1.00 0.00 O ATOM 2150 OD2 ASP B 665 2.501 6.353 -6.649 1.00 0.00 O ATOM 0 H ASP B 665 4.683 3.122 -3.866 1.00 0.00 H new ATOM 0 HA ASP B 665 4.857 5.948 -3.524 1.00 0.00 H new ATOM 0 HB2 ASP B 665 4.728 4.694 -5.709 1.00 0.00 H new ATOM 0 HB3 ASP B 665 3.062 4.294 -5.344 1.00 0.00 H new ATOM 2154 N LEU B 666 2.199 4.419 -2.430 1.00 0.00 N ATOM 2155 CA LEU B 666 0.963 4.588 -1.674 1.00 0.00 C ATOM 2156 C LEU B 666 1.227 5.297 -0.349 1.00 0.00 C ATOM 2157 O LEU B 666 0.419 6.107 0.105 1.00 0.00 O ATOM 2158 CB LEU B 666 0.309 3.229 -1.417 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.227 3.000 -0.004 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -1.434 3.886 0.260 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -0.586 1.534 0.198 1.00 0.00 C ATOM 0 H LEU B 666 2.493 3.449 -2.546 1.00 0.00 H new ATOM 0 HA LEU B 666 0.286 5.204 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU B 666 -0.514 3.105 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU B 666 1.038 2.449 -1.638 1.00 0.00 H new ATOM 0 HG LEU B 666 0.555 3.265 0.708 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -1.801 3.709 1.271 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -1.147 4.932 0.157 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -2.220 3.653 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -0.966 1.388 1.209 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -1.351 1.244 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU B 666 0.302 0.919 0.052 1.00 0.00 H new ATOM 2172 N VAL B 667 2.364 4.989 0.264 1.00 0.00 N ATOM 2173 CA VAL B 667 2.737 5.598 1.536 1.00 0.00 C ATOM 2174 C VAL B 667 3.167 7.048 1.344 1.00 0.00 C ATOM 2175 O VAL B 667 2.674 7.948 2.025 1.00 0.00 O ATOM 2176 CB VAL B 667 3.879 4.821 2.217 1.00 0.00 C ATOM 2177 CG1 VAL B 667 4.173 5.401 3.592 1.00 0.00 C ATOM 2178 CG2 VAL B 667 3.532 3.343 2.315 1.00 0.00 C ATOM 0 H VAL B 667 3.044 4.321 -0.099 1.00 0.00 H new ATOM 0 HA VAL B 667 1.854 5.565 2.175 1.00 0.00 H new ATOM 0 HB VAL B 667 4.778 4.920 1.608 1.00 0.00 H new ATOM 0 HG11 VAL B 667 4.983 4.839 4.058 1.00 0.00 H new ATOM 0 HG12 VAL B 667 4.467 6.446 3.491 1.00 0.00 H new ATOM 0 HG13 VAL B 667 3.280 5.334 4.214 1.00 0.00 H new ATOM 0 HG21 VAL B 667 4.350 2.809 2.799 1.00 0.00 H new ATOM 0 HG22 VAL B 667 2.622 3.221 2.902 1.00 0.00 H new ATOM 0 HG23 VAL B 667 3.376 2.939 1.315 1.00 0.00 H new ATOM 2188 N ARG B 668 4.090 7.267 0.413 1.00 0.00 N ATOM 2189 CA ARG B 668 4.587 8.609 0.132 1.00 0.00 C ATOM 2190 C ARG B 668 3.447 9.540 -0.265 1.00 0.00 C ATOM 2191 O ARG B 668 3.495 10.743 -0.007 1.00 0.00 O ATOM 2192 CB ARG B 668 5.635 8.564 -0.982 1.00 0.00 C ATOM 2193 CG ARG B 668 6.822 7.669 -0.667 1.00 0.00 C ATOM 2194 CD ARG B 668 7.829 7.657 -1.807 1.00 0.00 C ATOM 2195 NE ARG B 668 7.348 6.889 -2.952 1.00 0.00 N ATOM 2196 CZ ARG B 668 7.823 7.033 -4.184 1.00 0.00 C ATOM 2197 NH1 ARG B 668 8.786 7.911 -4.429 1.00 0.00 N ATOM 2198 NH2 ARG B 668 7.334 6.297 -5.175 1.00 0.00 N ATOM 0 H ARG B 668 4.508 6.533 -0.159 1.00 0.00 H new ATOM 0 HA ARG B 668 5.048 8.996 1.041 1.00 0.00 H new ATOM 0 HB2 ARG B 668 5.162 8.216 -1.900 1.00 0.00 H new ATOM 0 HB3 ARG B 668 5.994 9.575 -1.172 1.00 0.00 H new ATOM 0 HG2 ARG B 668 7.308 8.015 0.245 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.473 6.654 -0.477 1.00 0.00 H new ATOM 0 HD2 ARG B 668 8.037 8.681 -2.118 1.00 0.00 H new ATOM 0 HD3 ARG B 668 8.770 7.234 -1.456 1.00 0.00 H new ATOM 0 HE ARG B 668 6.607 6.205 -2.797 1.00 0.00 H new ATOM 0 HH11 ARG B 668 9.164 8.478 -3.670 1.00 0.00 H new ATOM 0 HH12 ARG B 668 9.149 8.019 -5.376 1.00 0.00 H new ATOM 0 HH21 ARG B 668 6.593 5.621 -4.990 1.00 0.00 H new ATOM 0 HH22 ARG B 668 7.699 6.408 -6.121 1.00 0.00 H new ATOM 2209 N ALA B 669 2.421 8.976 -0.893 1.00 0.00 N ATOM 2210 CA ALA B 669 1.266 9.755 -1.325 1.00 0.00 C ATOM 2211 C ALA B 669 0.639 10.502 -0.152 1.00 0.00 C ATOM 2212 O ALA B 669 0.010 11.545 -0.333 1.00 0.00 O ATOM 2213 CB ALA B 669 0.237 8.851 -1.988 1.00 0.00 C ATOM 0 H ALA B 669 2.365 7.982 -1.114 1.00 0.00 H new ATOM 0 HA ALA B 669 1.607 10.492 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.619 9.446 -2.305 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.684 8.367 -2.856 1.00 0.00 H new ATOM 0 HB3 ALA B 669 -0.092 8.092 -1.278 1.00 0.00 H new ATOM 2219 N TYR B 670 0.815 9.963 1.049 1.00 0.00 N ATOM 2220 CA TYR B 670 0.263 10.577 2.250 1.00 0.00 C ATOM 2221 C TYR B 670 1.210 11.639 2.802 1.00 0.00 C ATOM 2222 O TYR B 670 0.821 12.790 3.005 1.00 0.00 O ATOM 2223 CB TYR B 670 -0.005 9.513 3.316 1.00 0.00 C ATOM 2224 CG TYR B 670 -0.801 10.024 4.494 1.00 0.00 C ATOM 2225 CD1 TYR B 670 -0.175 10.662 5.558 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -2.181 9.868 4.545 1.00 0.00 C ATOM 2227 CE1 TYR B 670 -0.899 11.130 6.638 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -2.913 10.334 5.620 1.00 0.00 C ATOM 2229 CZ TYR B 670 -2.267 10.964 6.664 1.00 0.00 C ATOM 2230 OH TYR B 670 -2.992 11.429 7.737 1.00 0.00 O ATOM 0 H TYR B 670 1.336 9.102 1.217 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.678 11.058 1.982 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -0.541 8.681 2.860 1.00 0.00 H new ATOM 0 HB3 TYR B 670 0.947 9.121 3.674 1.00 0.00 H new ATOM 0 HD1 TYR B 670 0.897 10.794 5.541 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -2.690 9.374 3.730 1.00 0.00 H new ATOM 0 HE1 TYR B 670 -0.396 11.623 7.457 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -3.985 10.206 5.643 1.00 0.00 H new ATOM 0 HH TYR B 670 -3.942 11.233 7.599 1.00 0.00 H new ATOM 2239 N HIS B 671 2.455 11.244 3.044 1.00 0.00 N ATOM 2240 CA HIS B 671 3.460 12.161 3.572 1.00 0.00 C ATOM 2241 C HIS B 671 3.602 13.386 2.675 1.00 0.00 C ATOM 2242 O HIS B 671 4.010 14.455 3.127 1.00 0.00 O ATOM 2243 CB HIS B 671 4.808 11.452 3.705 1.00 0.00 C ATOM 2244 CG HIS B 671 5.846 12.267 4.415 1.00 0.00 C ATOM 2245 ND1 HIS B 671 7.159 12.338 4.003 1.00 0.00 N ATOM 2246 CD2 HIS B 671 5.755 13.050 5.516 1.00 0.00 C ATOM 2247 CE1 HIS B 671 7.832 13.127 4.820 1.00 0.00 C ATOM 2248 NE2 HIS B 671 7.005 13.572 5.747 1.00 0.00 N ATOM 0 H HIS B 671 2.793 10.295 2.883 1.00 0.00 H new ATOM 0 HA HIS B 671 3.133 12.491 4.558 1.00 0.00 H new ATOM 0 HB2 HIS B 671 4.665 10.514 4.242 1.00 0.00 H new ATOM 0 HB3 HIS B 671 5.175 11.198 2.711 1.00 0.00 H new ATOM 0 HD2 HIS B 671 4.866 13.230 6.103 1.00 0.00 H new ATOM 0 HE1 HIS B 671 8.882 13.368 4.743 1.00 0.00 H new ATOM 0 HE2 HIS B 671 7.253 14.201 6.511 1.00 0.00 H new ATOM 2255 N ALA B 672 3.264 13.223 1.399 1.00 0.00 N ATOM 2256 CA ALA B 672 3.352 14.316 0.439 1.00 0.00 C ATOM 2257 C ALA B 672 2.608 15.549 0.941 1.00 0.00 C ATOM 2258 O ALA B 672 3.081 16.675 0.787 1.00 0.00 O ATOM 2259 CB ALA B 672 2.802 13.878 -0.910 1.00 0.00 C ATOM 0 H ALA B 672 2.927 12.344 1.007 1.00 0.00 H new ATOM 0 HA ALA B 672 4.403 14.581 0.322 1.00 0.00 H new ATOM 0 HB1 ALA B 672 2.874 14.704 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA B 672 3.380 13.031 -1.281 1.00 0.00 H new ATOM 0 HB3 ALA B 672 1.758 13.585 -0.799 1.00 0.00 H new ATOM 2265 N MET B 673 1.444 15.329 1.541 1.00 0.00 N ATOM 2266 CA MET B 673 0.635 16.423 2.065 1.00 0.00 C ATOM 2267 C MET B 673 1.394 17.191 3.142 1.00 0.00 C ATOM 2268 O MET B 673 1.287 18.414 3.237 1.00 0.00 O ATOM 2269 CB MET B 673 -0.680 15.887 2.635 1.00 0.00 C ATOM 2270 CG MET B 673 -1.863 16.813 2.406 1.00 0.00 C ATOM 2271 SD MET B 673 -3.444 15.948 2.466 1.00 0.00 S ATOM 2272 CE MET B 673 -3.218 14.929 3.922 1.00 0.00 C ATOM 0 H MET B 673 1.039 14.403 1.677 1.00 0.00 H new ATOM 0 HA MET B 673 0.414 17.105 1.244 1.00 0.00 H new ATOM 0 HB2 MET B 673 -0.894 14.918 2.183 1.00 0.00 H new ATOM 0 HB3 MET B 673 -0.561 15.720 3.706 1.00 0.00 H new ATOM 0 HG2 MET B 673 -1.855 17.600 3.160 1.00 0.00 H new ATOM 0 HG3 MET B 673 -1.756 17.300 1.437 1.00 0.00 H new ATOM 0 HE1 MET B 673 -4.183 14.540 4.247 1.00 0.00 H new ATOM 0 HE2 MET B 673 -2.553 14.098 3.685 1.00 0.00 H new ATOM 0 HE3 MET B 673 -2.780 15.528 4.721 1.00 0.00 H new ATOM 2280 N SER B 674 2.160 16.467 3.951 1.00 0.00 N ATOM 2281 CA SER B 674 2.933 17.080 5.024 1.00 0.00 C ATOM 2282 C SER B 674 4.250 17.639 4.494 1.00 0.00 C ATOM 2283 O SER B 674 4.844 18.534 5.096 1.00 0.00 O ATOM 2284 CB SER B 674 3.208 16.060 6.132 1.00 0.00 C ATOM 2285 OG SER B 674 3.433 16.703 7.373 1.00 0.00 O ATOM 0 H SER B 674 2.262 15.454 3.884 1.00 0.00 H new ATOM 0 HA SER B 674 2.348 17.903 5.435 1.00 0.00 H new ATOM 0 HB2 SER B 674 2.362 15.378 6.220 1.00 0.00 H new ATOM 0 HB3 SER B 674 4.077 15.458 5.868 1.00 0.00 H new ATOM 0 HG SER B 674 3.605 16.030 8.064 1.00 0.00 H new ATOM 2290 N SER B 675 4.699 17.106 3.363 1.00 0.00 N ATOM 2291 CA SER B 675 5.948 17.547 2.752 1.00 0.00 C ATOM 2292 C SER B 675 5.926 19.052 2.502 1.00 0.00 C ATOM 2293 O SER B 675 6.973 19.700 2.450 1.00 0.00 O ATOM 2294 CB SER B 675 6.188 16.803 1.437 1.00 0.00 C ATOM 2295 OG SER B 675 5.739 17.566 0.331 1.00 0.00 O ATOM 0 H SER B 675 4.217 16.368 2.850 1.00 0.00 H new ATOM 0 HA SER B 675 6.762 17.322 3.441 1.00 0.00 H new ATOM 0 HB2 SER B 675 7.251 16.587 1.326 1.00 0.00 H new ATOM 0 HB3 SER B 675 5.668 15.845 1.457 1.00 0.00 H new ATOM 0 HG SER B 675 4.772 17.450 0.225 1.00 0.00 H new ATOM 2300 N THR B 676 4.727 19.603 2.345 1.00 0.00 N ATOM 2301 CA THR B 676 4.568 21.030 2.099 1.00 0.00 C ATOM 2302 C THR B 676 5.015 21.850 3.303 1.00 0.00 C ATOM 2303 O THR B 676 5.206 23.063 3.206 1.00 0.00 O ATOM 2304 CB THR B 676 3.105 21.383 1.766 1.00 0.00 C ATOM 2305 OG1 THR B 676 2.394 20.204 1.375 1.00 0.00 O ATOM 2306 CG2 THR B 676 3.038 22.417 0.651 1.00 0.00 C ATOM 0 H THR B 676 3.851 19.082 2.384 1.00 0.00 H new ATOM 0 HA THR B 676 5.197 21.275 1.243 1.00 0.00 H new ATOM 0 HB THR B 676 2.643 21.805 2.659 1.00 0.00 H new ATOM 0 HG1 THR B 676 2.040 19.756 2.172 1.00 0.00 H new ATOM 0 HG21 THR B 676 1.996 22.650 0.433 1.00 0.00 H new ATOM 0 HG22 THR B 676 3.555 23.324 0.964 1.00 0.00 H new ATOM 0 HG23 THR B 676 3.515 22.018 -0.244 1.00 0.00 H new ATOM 2314 N HIS B 677 5.182 21.181 4.440 1.00 0.00 N ATOM 2315 CA HIS B 677 5.610 21.848 5.664 1.00 0.00 C ATOM 2316 C HIS B 677 6.863 22.682 5.420 1.00 0.00 C ATOM 2317 O HIS B 677 6.967 23.814 5.888 1.00 0.00 O ATOM 2318 CB HIS B 677 5.873 20.820 6.764 1.00 0.00 C ATOM 2319 CG HIS B 677 6.421 21.417 8.024 1.00 0.00 C ATOM 2320 ND1 HIS B 677 6.224 22.736 8.379 1.00 0.00 N ATOM 2321 CD2 HIS B 677 7.160 20.869 9.016 1.00 0.00 C ATOM 2322 CE1 HIS B 677 6.821 22.972 9.533 1.00 0.00 C ATOM 2323 NE2 HIS B 677 7.395 21.855 9.942 1.00 0.00 N ATOM 0 H HIS B 677 5.027 20.178 4.539 1.00 0.00 H new ATOM 0 HA HIS B 677 4.809 22.515 5.984 1.00 0.00 H new ATOM 0 HB2 HIS B 677 4.943 20.299 6.993 1.00 0.00 H new ATOM 0 HB3 HIS B 677 6.573 20.073 6.391 1.00 0.00 H new ATOM 0 HD1 HIS B 677 5.699 23.421 7.835 1.00 0.00 H new ATOM 0 HD2 HIS B 677 7.502 19.846 9.069 1.00 0.00 H new ATOM 0 HE1 HIS B 677 6.837 23.918 10.054 1.00 0.00 H new ATOM 2330 N GLU B 678 7.813 22.113 4.682 1.00 0.00 N ATOM 2331 CA GLU B 678 9.060 22.805 4.378 1.00 0.00 C ATOM 2332 C GLU B 678 8.877 23.765 3.206 1.00 0.00 C ATOM 2333 O GLU B 678 9.695 24.658 2.988 1.00 0.00 O ATOM 2334 CB GLU B 678 10.163 21.795 4.057 1.00 0.00 C ATOM 2335 CG GLU B 678 9.790 20.814 2.959 1.00 0.00 C ATOM 2336 CD GLU B 678 10.948 20.510 2.029 1.00 0.00 C ATOM 2337 OE1 GLU B 678 11.775 19.640 2.377 1.00 0.00 O ATOM 2338 OE2 GLU B 678 11.030 21.141 0.955 1.00 0.00 O ATOM 0 H GLU B 678 7.742 21.176 4.285 1.00 0.00 H new ATOM 0 HA GLU B 678 9.350 23.382 5.256 1.00 0.00 H new ATOM 0 HB2 GLU B 678 11.063 22.334 3.760 1.00 0.00 H new ATOM 0 HB3 GLU B 678 10.409 21.239 4.961 1.00 0.00 H new ATOM 0 HG2 GLU B 678 9.438 19.886 3.410 1.00 0.00 H new ATOM 0 HG3 GLU B 678 8.961 21.221 2.380 1.00 0.00 H new ATOM 2343 N ALA B 679 7.798 23.573 2.454 1.00 0.00 N ATOM 2344 CA ALA B 679 7.507 24.421 1.306 1.00 0.00 C ATOM 2345 C ALA B 679 7.433 25.889 1.712 1.00 0.00 C ATOM 2346 O ALA B 679 7.613 26.782 0.885 1.00 0.00 O ATOM 2347 CB ALA B 679 6.205 23.989 0.646 1.00 0.00 C ATOM 0 H ALA B 679 7.111 22.837 2.620 1.00 0.00 H new ATOM 0 HA ALA B 679 8.320 24.309 0.589 1.00 0.00 H new ATOM 0 HB1 ALA B 679 6.000 24.632 -0.210 1.00 0.00 H new ATOM 0 HB2 ALA B 679 6.292 22.955 0.311 1.00 0.00 H new ATOM 0 HB3 ALA B 679 5.389 24.070 1.364 1.00 0.00 H new ATOM 2353 N ASN B 680 7.168 26.132 2.992 1.00 0.00 N ATOM 2354 CA ASN B 680 7.069 27.493 3.507 1.00 0.00 C ATOM 2355 C ASN B 680 8.346 28.277 3.221 1.00 0.00 C ATOM 2356 O ASN B 680 8.358 29.184 2.389 1.00 0.00 O ATOM 2357 CB ASN B 680 6.798 27.471 5.013 1.00 0.00 C ATOM 2358 CG ASN B 680 6.828 28.857 5.625 1.00 0.00 C ATOM 2359 OD1 ASN B 680 6.337 29.821 5.035 1.00 0.00 O ATOM 2360 ND2 ASN B 680 7.406 28.966 6.817 1.00 0.00 N ATOM 0 H ASN B 680 7.018 25.405 3.691 1.00 0.00 H new ATOM 0 HA ASN B 680 6.239 27.987 3.001 1.00 0.00 H new ATOM 0 HB2 ASN B 680 5.825 27.016 5.198 1.00 0.00 H new ATOM 0 HB3 ASN B 680 7.542 26.844 5.504 1.00 0.00 H new ATOM 0 HD21 ASN B 680 7.456 29.874 7.279 1.00 0.00 H new ATOM 0 HD22 ASN B 680 7.800 28.141 7.270 1.00 0.00 H new ATOM 2366 N THR B 681 9.422 27.919 3.915 1.00 0.00 N ATOM 2367 CA THR B 681 10.705 28.588 3.737 1.00 0.00 C ATOM 2368 C THR B 681 11.138 28.566 2.275 1.00 0.00 C ATOM 2369 O THR B 681 11.744 29.517 1.784 1.00 0.00 O ATOM 2370 CB THR B 681 11.804 27.935 4.596 1.00 0.00 C ATOM 2371 OG1 THR B 681 11.657 26.511 4.578 1.00 0.00 O ATOM 2372 CG2 THR B 681 11.740 28.439 6.030 1.00 0.00 C ATOM 0 H THR B 681 9.430 27.169 4.606 1.00 0.00 H new ATOM 0 HA THR B 681 10.570 29.621 4.058 1.00 0.00 H new ATOM 0 HB THR B 681 12.773 28.205 4.176 1.00 0.00 H new ATOM 0 HG1 THR B 681 12.360 26.103 5.125 1.00 0.00 H new ATOM 0 HG21 THR B 681 12.525 27.964 6.618 1.00 0.00 H new ATOM 0 HG22 THR B 681 11.881 29.520 6.042 1.00 0.00 H new ATOM 0 HG23 THR B 681 10.768 28.195 6.459 1.00 0.00 H new ATOM 2380 N MET B 682 10.821 27.475 1.586 1.00 0.00 N ATOM 2381 CA MET B 682 11.176 27.331 0.179 1.00 0.00 C ATOM 2382 C MET B 682 10.712 28.541 -0.626 1.00 0.00 C ATOM 2383 O MET B 682 11.329 28.908 -1.625 1.00 0.00 O ATOM 2384 CB MET B 682 10.560 26.055 -0.396 1.00 0.00 C ATOM 2385 CG MET B 682 10.611 25.986 -1.915 1.00 0.00 C ATOM 2386 SD MET B 682 9.817 24.505 -2.570 1.00 0.00 S ATOM 2387 CE MET B 682 8.146 24.721 -1.962 1.00 0.00 C ATOM 0 H MET B 682 10.319 26.678 1.979 1.00 0.00 H new ATOM 0 HA MET B 682 12.262 27.265 0.109 1.00 0.00 H new ATOM 0 HB2 MET B 682 11.082 25.192 0.016 1.00 0.00 H new ATOM 0 HB3 MET B 682 9.522 25.985 -0.072 1.00 0.00 H new ATOM 0 HG2 MET B 682 10.125 26.868 -2.331 1.00 0.00 H new ATOM 0 HG3 MET B 682 11.651 26.011 -2.241 1.00 0.00 H new ATOM 0 HE1 MET B 682 7.811 23.800 -1.485 1.00 0.00 H new ATOM 0 HE2 MET B 682 8.125 25.534 -1.236 1.00 0.00 H new ATOM 0 HE3 MET B 682 7.484 24.960 -2.794 1.00 0.00 H new ATOM 2395 N ALA B 683 9.620 29.156 -0.184 1.00 0.00 N ATOM 2396 CA ALA B 683 9.073 30.325 -0.863 1.00 0.00 C ATOM 2397 C ALA B 683 10.132 31.411 -1.019 1.00 0.00 C ATOM 2398 O ALA B 683 10.066 32.226 -1.940 1.00 0.00 O ATOM 2399 CB ALA B 683 7.870 30.862 -0.102 1.00 0.00 C ATOM 0 H ALA B 683 9.096 28.864 0.641 1.00 0.00 H new ATOM 0 HA ALA B 683 8.751 30.021 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA B 683 7.472 31.734 -0.620 1.00 0.00 H new ATOM 0 HB2 ALA B 683 7.101 30.091 -0.046 1.00 0.00 H new ATOM 0 HB3 ALA B 683 8.174 31.146 0.906 1.00 0.00 H new ATOM 2405 N MET B 684 11.105 31.419 -0.114 1.00 0.00 N ATOM 2406 CA MET B 684 12.177 32.407 -0.154 1.00 0.00 C ATOM 2407 C MET B 684 12.827 32.449 -1.533 1.00 0.00 C ATOM 2408 O MET B 684 12.856 31.446 -2.246 1.00 0.00 O ATOM 2409 CB MET B 684 13.230 32.090 0.910 1.00 0.00 C ATOM 2410 CG MET B 684 12.738 32.297 2.333 1.00 0.00 C ATOM 2411 SD MET B 684 13.721 33.506 3.240 1.00 0.00 S ATOM 2412 CE MET B 684 14.963 32.446 3.979 1.00 0.00 C ATOM 0 H MET B 684 11.173 30.753 0.656 1.00 0.00 H new ATOM 0 HA MET B 684 11.744 33.386 0.053 1.00 0.00 H new ATOM 0 HB2 MET B 684 13.553 31.056 0.793 1.00 0.00 H new ATOM 0 HB3 MET B 684 14.105 32.718 0.742 1.00 0.00 H new ATOM 0 HG2 MET B 684 11.698 32.624 2.310 1.00 0.00 H new ATOM 0 HG3 MET B 684 12.761 31.345 2.863 1.00 0.00 H new ATOM 0 HE1 MET B 684 15.649 33.049 4.574 1.00 0.00 H new ATOM 0 HE2 MET B 684 14.478 31.709 4.620 1.00 0.00 H new ATOM 0 HE3 MET B 684 15.518 31.934 3.193 1.00 0.00 H new ATOM 2420 N MET B 685 13.346 33.615 -1.903 1.00 0.00 N ATOM 2421 CA MET B 685 13.997 33.786 -3.196 1.00 0.00 C ATOM 2422 C MET B 685 15.474 33.414 -3.115 1.00 0.00 C ATOM 2423 O MET B 685 16.083 33.033 -4.115 1.00 0.00 O ATOM 2424 CB MET B 685 13.848 35.230 -3.680 1.00 0.00 C ATOM 2425 CG MET B 685 12.566 35.481 -4.456 1.00 0.00 C ATOM 2426 SD MET B 685 12.078 37.217 -4.448 1.00 0.00 S ATOM 2427 CE MET B 685 13.274 37.911 -5.587 1.00 0.00 C ATOM 0 H MET B 685 13.328 34.456 -1.325 1.00 0.00 H new ATOM 0 HA MET B 685 13.512 33.120 -3.909 1.00 0.00 H new ATOM 0 HB2 MET B 685 13.879 35.898 -2.819 1.00 0.00 H new ATOM 0 HB3 MET B 685 14.700 35.483 -4.311 1.00 0.00 H new ATOM 0 HG2 MET B 685 12.698 35.150 -5.486 1.00 0.00 H new ATOM 0 HG3 MET B 685 11.763 34.880 -4.028 1.00 0.00 H new ATOM 0 HE1 MET B 685 13.101 38.983 -5.688 1.00 0.00 H new ATOM 0 HE2 MET B 685 14.281 37.740 -5.206 1.00 0.00 H new ATOM 0 HE3 MET B 685 13.168 37.433 -6.561 1.00 0.00 H new ATOM 2435 N ALA B 686 16.044 33.528 -1.921 1.00 0.00 N ATOM 2436 CA ALA B 686 17.449 33.203 -1.711 1.00 0.00 C ATOM 2437 C ALA B 686 17.777 31.814 -2.246 1.00 0.00 C ATOM 2438 O ALA B 686 18.797 31.618 -2.906 1.00 0.00 O ATOM 2439 CB ALA B 686 17.797 33.295 -0.232 1.00 0.00 C ATOM 0 H ALA B 686 15.554 33.843 -1.084 1.00 0.00 H new ATOM 0 HA ALA B 686 18.049 33.928 -2.261 1.00 0.00 H new ATOM 0 HB1 ALA B 686 18.849 33.050 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA B 686 17.609 34.308 0.124 1.00 0.00 H new ATOM 0 HB3 ALA B 686 17.182 32.593 0.331 1.00 0.00 H new ATOM 2445 N ARG B 687 16.905 30.853 -1.959 1.00 0.00 N ATOM 2446 CA ARG B 687 17.104 29.481 -2.412 1.00 0.00 C ATOM 2447 C ARG B 687 16.738 29.337 -3.886 1.00 0.00 C ATOM 2448 O ARG B 687 17.561 28.922 -4.702 1.00 0.00 O ATOM 2449 CB ARG B 687 16.264 28.518 -1.570 1.00 0.00 C ATOM 2450 CG ARG B 687 16.783 28.337 -0.153 1.00 0.00 C ATOM 2451 CD ARG B 687 18.094 27.567 -0.134 1.00 0.00 C ATOM 2452 NE ARG B 687 18.140 26.592 0.954 1.00 0.00 N ATOM 2453 CZ ARG B 687 18.293 26.923 2.231 1.00 0.00 C ATOM 2454 NH1 ARG B 687 18.415 28.197 2.579 1.00 0.00 N ATOM 2455 NH2 ARG B 687 18.326 25.979 3.162 1.00 0.00 N ATOM 0 H ARG B 687 16.054 30.999 -1.415 1.00 0.00 H new ATOM 0 HA ARG B 687 18.159 29.234 -2.292 1.00 0.00 H new ATOM 0 HB2 ARG B 687 15.238 28.885 -1.528 1.00 0.00 H new ATOM 0 HB3 ARG B 687 16.235 27.547 -2.064 1.00 0.00 H new ATOM 0 HG2 ARG B 687 16.926 29.313 0.311 1.00 0.00 H new ATOM 0 HG3 ARG B 687 16.040 27.807 0.443 1.00 0.00 H new ATOM 0 HD2 ARG B 687 18.227 27.054 -1.086 1.00 0.00 H new ATOM 0 HD3 ARG B 687 18.924 28.266 -0.030 1.00 0.00 H new ATOM 0 HE ARG B 687 18.050 25.603 0.720 1.00 0.00 H new ATOM 0 HH11 ARG B 687 18.391 28.925 1.865 1.00 0.00 H new ATOM 0 HH12 ARG B 687 18.532 28.449 3.560 1.00 0.00 H new ATOM 0 HH21 ARG B 687 18.234 24.998 2.897 1.00 0.00 H new ATOM 0 HH22 ARG B 687 18.444 26.234 4.143 1.00 0.00 H new ATOM 2466 N ASP B 688 15.499 29.681 -4.220 1.00 0.00 N ATOM 2467 CA ASP B 688 15.024 29.590 -5.595 1.00 0.00 C ATOM 2468 C ASP B 688 15.166 28.167 -6.126 1.00 0.00 C ATOM 2469 O ASP B 688 16.180 27.814 -6.728 1.00 0.00 O ATOM 2470 CB ASP B 688 15.799 30.560 -6.490 1.00 0.00 C ATOM 2471 CG ASP B 688 15.070 31.875 -6.684 1.00 0.00 C ATOM 2472 OD1 ASP B 688 14.144 32.164 -5.896 1.00 0.00 O ATOM 2473 OD2 ASP B 688 15.425 32.616 -7.625 1.00 0.00 O ATOM 0 H ASP B 688 14.805 30.026 -3.556 1.00 0.00 H new ATOM 0 HA ASP B 688 13.968 29.860 -5.607 1.00 0.00 H new ATOM 0 HB2 ASP B 688 16.778 30.752 -6.051 1.00 0.00 H new ATOM 0 HB3 ASP B 688 15.970 30.096 -7.461 1.00 0.00 H new ATOM 2477 N THR B 689 14.140 27.352 -5.900 1.00 0.00 N ATOM 2478 CA THR B 689 14.150 25.966 -6.352 1.00 0.00 C ATOM 2479 C THR B 689 13.037 25.711 -7.363 1.00 0.00 C ATOM 2480 O THR B 689 13.300 25.364 -8.514 1.00 0.00 O ATOM 2481 CB THR B 689 13.991 24.989 -5.173 1.00 0.00 C ATOM 2482 OG1 THR B 689 12.900 25.398 -4.340 1.00 0.00 O ATOM 2483 CG2 THR B 689 15.268 24.923 -4.349 1.00 0.00 C ATOM 0 H THR B 689 13.291 27.628 -5.406 1.00 0.00 H new ATOM 0 HA THR B 689 15.116 25.795 -6.827 1.00 0.00 H new ATOM 0 HB THR B 689 13.786 23.998 -5.577 1.00 0.00 H new ATOM 0 HG1 THR B 689 12.805 24.770 -3.594 1.00 0.00 H new ATOM 0 HG21 THR B 689 15.132 24.226 -3.522 1.00 0.00 H new ATOM 0 HG22 THR B 689 16.090 24.582 -4.979 1.00 0.00 H new ATOM 0 HG23 THR B 689 15.499 25.913 -3.955 1.00 0.00 H new ATOM 2491 N ALA B 690 11.795 25.886 -6.926 1.00 0.00 N ATOM 2492 CA ALA B 690 10.642 25.676 -7.794 1.00 0.00 C ATOM 2493 C ALA B 690 10.500 26.812 -8.801 1.00 0.00 C ATOM 2494 O ALA B 690 10.003 26.611 -9.909 1.00 0.00 O ATOM 2495 CB ALA B 690 9.374 25.542 -6.964 1.00 0.00 C ATOM 0 H ALA B 690 11.561 26.173 -5.976 1.00 0.00 H new ATOM 0 HA ALA B 690 10.799 24.751 -8.349 1.00 0.00 H new ATOM 0 HB1 ALA B 690 8.521 25.386 -7.625 1.00 0.00 H new ATOM 0 HB2 ALA B 690 9.470 24.692 -6.288 1.00 0.00 H new ATOM 0 HB3 ALA B 690 9.221 26.452 -6.384 1.00 0.00 H new ATOM 2501 N GLU B 691 10.941 28.003 -8.409 1.00 0.00 N ATOM 2502 CA GLU B 691 10.860 29.171 -9.278 1.00 0.00 C ATOM 2503 C GLU B 691 11.967 29.143 -10.330 1.00 0.00 C ATOM 2504 O GLU B 691 11.757 29.535 -11.477 1.00 0.00 O ATOM 2505 CB GLU B 691 10.956 30.456 -8.455 1.00 0.00 C ATOM 2506 CG GLU B 691 10.330 30.343 -7.075 1.00 0.00 C ATOM 2507 CD GLU B 691 9.953 31.692 -6.493 1.00 0.00 C ATOM 2508 OE1 GLU B 691 8.811 32.140 -6.730 1.00 0.00 O ATOM 2509 OE2 GLU B 691 10.798 32.297 -5.802 1.00 0.00 O ATOM 0 H GLU B 691 11.358 28.184 -7.496 1.00 0.00 H new ATOM 0 HA GLU B 691 9.897 29.147 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU B 691 12.005 30.731 -8.347 1.00 0.00 H new ATOM 0 HB3 GLU B 691 10.469 31.264 -9.001 1.00 0.00 H new ATOM 0 HG2 GLU B 691 9.441 29.716 -7.134 1.00 0.00 H new ATOM 0 HG3 GLU B 691 11.028 29.844 -6.403 1.00 0.00 H new ATOM 2514 N ALA B 692 13.145 28.677 -9.928 1.00 0.00 N ATOM 2515 CA ALA B 692 14.284 28.597 -10.834 1.00 0.00 C ATOM 2516 C ALA B 692 13.895 27.925 -12.146 1.00 0.00 C ATOM 2517 O ALA B 692 14.060 28.500 -13.222 1.00 0.00 O ATOM 2518 CB ALA B 692 15.431 27.847 -10.174 1.00 0.00 C ATOM 0 H ALA B 692 13.335 28.349 -8.981 1.00 0.00 H new ATOM 0 HA ALA B 692 14.610 29.612 -11.059 1.00 0.00 H new ATOM 0 HB1 ALA B 692 16.275 27.795 -10.862 1.00 0.00 H new ATOM 0 HB2 ALA B 692 15.734 28.370 -9.267 1.00 0.00 H new ATOM 0 HB3 ALA B 692 15.107 26.838 -9.920 1.00 0.00 H new ATOM 2524 N ALA B 693 13.380 26.704 -12.049 1.00 0.00 N ATOM 2525 CA ALA B 693 12.967 25.953 -13.229 1.00 0.00 C ATOM 2526 C ALA B 693 11.463 26.071 -13.457 1.00 0.00 C ATOM 2527 O ALA B 693 11.017 26.506 -14.518 1.00 0.00 O ATOM 2528 CB ALA B 693 13.369 24.492 -13.093 1.00 0.00 C ATOM 0 H ALA B 693 13.239 26.214 -11.166 1.00 0.00 H new ATOM 0 HA ALA B 693 13.474 26.379 -14.095 1.00 0.00 H new ATOM 0 HB1 ALA B 693 13.054 23.944 -13.981 1.00 0.00 H new ATOM 0 HB2 ALA B 693 14.452 24.421 -12.987 1.00 0.00 H new ATOM 0 HB3 ALA B 693 12.890 24.063 -12.213 1.00 0.00 H new ATOM 2534 N LYS B 694 10.686 25.680 -12.452 1.00 0.00 N ATOM 2535 CA LYS B 694 9.231 25.742 -12.541 1.00 0.00 C ATOM 2536 C LYS B 694 8.739 25.107 -13.836 1.00 0.00 C ATOM 2537 O LYS B 694 9.493 24.427 -14.532 1.00 0.00 O ATOM 2538 CB LYS B 694 8.756 27.195 -12.460 1.00 0.00 C ATOM 2539 CG LYS B 694 7.526 27.385 -11.590 1.00 0.00 C ATOM 2540 CD LYS B 694 6.807 28.683 -11.916 1.00 0.00 C ATOM 2541 CE LYS B 694 5.509 28.814 -11.134 1.00 0.00 C ATOM 2542 NZ LYS B 694 4.362 28.202 -11.859 1.00 0.00 N ATOM 0 H LYS B 694 11.039 25.317 -11.567 1.00 0.00 H new ATOM 0 HA LYS B 694 8.816 25.183 -11.702 1.00 0.00 H new ATOM 0 HB2 LYS B 694 9.566 27.812 -12.070 1.00 0.00 H new ATOM 0 HB3 LYS B 694 8.538 27.554 -13.466 1.00 0.00 H new ATOM 0 HG2 LYS B 694 6.845 26.546 -11.732 1.00 0.00 H new ATOM 0 HG3 LYS B 694 7.818 27.384 -10.540 1.00 0.00 H new ATOM 0 HD2 LYS B 694 7.457 29.527 -11.687 1.00 0.00 H new ATOM 0 HD3 LYS B 694 6.595 28.724 -12.984 1.00 0.00 H new ATOM 0 HE2 LYS B 694 5.621 28.335 -10.161 1.00 0.00 H new ATOM 0 HE3 LYS B 694 5.301 29.868 -10.949 1.00 0.00 H new ATOM 0 HZ1 LYS B 694 3.496 28.312 -11.294 1.00 0.00 H new ATOM 0 HZ2 LYS B 694 4.239 28.675 -12.777 1.00 0.00 H new ATOM 0 HZ3 LYS B 694 4.549 27.191 -12.014 1.00 0.00 H new ATOM 2552 N TRP B 695 7.469 25.332 -14.154 1.00 0.00 N ATOM 2553 CA TRP B 695 6.876 24.782 -15.368 1.00 0.00 C ATOM 2554 C TRP B 695 6.533 25.890 -16.358 1.00 0.00 C ATOM 2555 O TRP B 695 5.986 26.926 -15.979 1.00 0.00 O ATOM 2556 CB TRP B 695 5.619 23.979 -15.028 1.00 0.00 C ATOM 2557 CG TRP B 695 4.892 23.472 -16.236 1.00 0.00 C ATOM 2558 CD1 TRP B 695 3.575 23.663 -16.539 1.00 0.00 C ATOM 2559 CD2 TRP B 695 5.442 22.690 -17.302 1.00 0.00 C ATOM 2560 NE1 TRP B 695 3.272 23.046 -17.730 1.00 0.00 N ATOM 2561 CE2 TRP B 695 4.401 22.443 -18.217 1.00 0.00 C ATOM 2562 CE3 TRP B 695 6.713 22.176 -17.572 1.00 0.00 C ATOM 2563 CZ2 TRP B 695 4.593 21.703 -19.381 1.00 0.00 C ATOM 2564 CZ3 TRP B 695 6.903 21.443 -18.727 1.00 0.00 C ATOM 2565 CH2 TRP B 695 5.848 21.212 -19.621 1.00 0.00 C ATOM 0 H TRP B 695 6.830 25.891 -13.588 1.00 0.00 H new ATOM 0 HA TRP B 695 7.608 24.120 -15.831 1.00 0.00 H new ATOM 0 HB2 TRP B 695 5.896 23.133 -14.398 1.00 0.00 H new ATOM 0 HB3 TRP B 695 4.945 24.604 -14.443 1.00 0.00 H new ATOM 0 HD1 TRP B 695 2.874 24.217 -15.933 1.00 0.00 H new ATOM 0 HE1 TRP B 695 2.356 23.039 -18.178 1.00 0.00 H new ATOM 0 HE3 TRP B 695 7.532 22.349 -16.890 1.00 0.00 H new ATOM 0 HZ2 TRP B 695 3.781 21.523 -20.070 1.00 0.00 H new ATOM 0 HZ3 TRP B 695 7.881 21.041 -18.945 1.00 0.00 H new ATOM 0 HH2 TRP B 695 6.029 20.636 -20.516 1.00 0.00 H new ATOM 2575 N GLY B 696 6.857 25.665 -17.627 1.00 0.00 N ATOM 2576 CA GLY B 696 6.576 26.655 -18.651 1.00 0.00 C ATOM 2577 C GLY B 696 5.239 26.424 -19.328 1.00 0.00 C ATOM 2578 O GLY B 696 4.901 25.296 -19.682 1.00 0.00 O ATOM 0 H GLY B 696 7.309 24.815 -17.965 1.00 0.00 H new ATOM 0 HA2 GLY B 696 6.587 27.649 -18.204 1.00 0.00 H new ATOM 0 HA3 GLY B 696 7.368 26.634 -19.400 1.00 0.00 H new ATOM 2582 N GLY B 697 4.476 27.498 -19.508 1.00 0.00 N ATOM 2583 CA GLY B 697 3.176 27.386 -20.144 1.00 0.00 C ATOM 2584 C GLY B 697 2.959 28.443 -21.209 1.00 0.00 C ATOM 2585 O GLY B 697 2.031 28.344 -22.010 1.00 0.00 O ATOM 0 H GLY B 697 4.735 28.443 -19.225 1.00 0.00 H new ATOM 0 HA2 GLY B 697 3.078 26.397 -20.592 1.00 0.00 H new ATOM 0 HA3 GLY B 697 2.396 27.471 -19.387 1.00 0.00 H new TER 2589 GLY B 697